#METABOLOMICS WORKBENCH qyj4347_20250810_210003 DATATRACK_ID:6267 STUDY_ID:ST004153 ANALYSIS_ID:AN006894 PROJECT_ID:PR002615 VERSION 1 CREATED_ON August 28, 2025, 12:04 pm #PROJECT PR:PROJECT_TITLE Multi-omics Study of Small Intestine Adaptation After Total Colectomy PR:PROJECT_SUMMARY To precisely identify the changes in intestinal metabolites after Total PR:PROJECT_SUMMARY Colectomy (TC) surgery, broad-spectrum untargeted metabolomics analysis was PR:PROJECT_SUMMARY performed to analyze fecal metabolites. PR:INSTITUTE Shanghai Jiao Tong University PR:LAST_NAME Quan PR:FIRST_NAME Yingjun PR:ADDRESS 1111XianXia Road,Shanghai PR:EMAIL qyj4347@hotmail.com PR:PHONE 021-520- 9999 #STUDY ST:STUDY_TITLE Multi-omics Study of Small Intestine Adaptation After Total Colectomy in a Rat ST:STUDY_TITLE model ST:STUDY_SUMMARY The study focuses on investigating the effects of Total Colectomy (TC) surgery ST:STUDY_SUMMARY (experimental treatment) on intestinal metabolites in a Rat model, using a sham ST:STUDY_SUMMARY operation as the control treatment. Fecal samples were collected at multiple ST:STUDY_SUMMARY time points to track metabolic changes associated with the treatments: ST:STUDY_SUMMARY Experimental Group (TC Surgery): Subjects underwent TC surgery, with fecal ST:STUDY_SUMMARY samples collected at three key time points: Preoperatively (baseline, before ST:STUDY_SUMMARY surgery), 1 week postoperatively, 16 weeks postoperatively; Control Group (Sham ST:STUDY_SUMMARY Operation): Subjects underwent a sham operation (to control for surgical ST:STUDY_SUMMARY intervention effects), with fecal samples collected at corresponding time ST:STUDY_SUMMARY points: Preoperatively (baseline, before the sham procedure), 1 week ST:STUDY_SUMMARY postoperatively, 16 weeks postoperatively. Broad metabolite coverage: ST:STUDY_SUMMARY Encompasses multiple classes of substances such as lipids (e.g., bile acids, ST:STUDY_SUMMARY glycerophospholipids), amino acids (e.g., glutamine, proline), and nucleosides ST:STUDY_SUMMARY (e.g., uridine), involving key pathways like energy metabolism and signal ST:STUDY_SUMMARY transduction. Good QC stability: Most metabolites (e.g., glutamine) in quality ST:STUDY_SUMMARY control samples show stable signals with relative standard deviations < 10%, ST:STUDY_SUMMARY indicating reliable experimental reproducibility. Significant inter-group ST:STUDY_SUMMARY differences: Bile acids (e.g., glycocholic acid) are significantly elevated in ST:STUDY_SUMMARY the post16TC group, suggesting changes in hepatic metabolism or bile ST:STUDY_SUMMARY circulation. Amino acids (e.g., isoleucine) are reduced in the post1SO group, ST:STUDY_SUMMARY possibly related to increased energy utilization. Lipids (e.g., ST:STUDY_SUMMARY lysophosphatidylcholine) show obvious differences between SO and TC subgroups, ST:STUDY_SUMMARY reflecting membrane remodeling or signal differences. Clear pathway ST:STUDY_SUMMARY associations: Enriched in bile acid synthesis, amino acid metabolism, and lipid ST:STUDY_SUMMARY oxidation pathways, suggesting that the treatment affects lipid digestion and ST:STUDY_SUMMARY redox balance. High-confidence identification: Most metabolites have high ST:STUDY_SUMMARY matching scores (57-58) and small mass errors (< 2 ppm), ensuring reliable ST:STUDY_SUMMARY identification. Meanwhile, some uncharacterized features require further ST:STUDY_SUMMARY research. ST:INSTITUTE Shanghai Jiao Tong University ST:LAST_NAME Quan ST:FIRST_NAME Yingjun ST:ADDRESS 1111XianXia Road,Shanghai ST:EMAIL qyj4347@hotmail.com ST:PHONE 021-5203-9999 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS TC1 preTC1 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:1 RAW_FILE_NAME(Raw_file_name)=1.RAW SUBJECT_SAMPLE_FACTORS TC2 preTC2 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:2 RAW_FILE_NAME(Raw_file_name)=2.RAW SUBJECT_SAMPLE_FACTORS TC3 preTC3 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:3 RAW_FILE_NAME(Raw_file_name)=3.RAW SUBJECT_SAMPLE_FACTORS TC7 preTC7 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:4 RAW_FILE_NAME(Raw_file_name)=4.RAW SUBJECT_SAMPLE_FACTORS TC9 preTC9 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:5 RAW_FILE_NAME(Raw_file_name)=5.RAW SUBJECT_SAMPLE_FACTORS TC11 preTC11 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:6 RAW_FILE_NAME(Raw_file_name)=6.RAW SUBJECT_SAMPLE_FACTORS TC12 preTC12 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:7 RAW_FILE_NAME(Raw_file_name)=7.RAW SUBJECT_SAMPLE_FACTORS TC13 preTC13 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:8 RAW_FILE_NAME(Raw_file_name)=8.RAW SUBJECT_SAMPLE_FACTORS TC15 preTC15 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:9 RAW_FILE_NAME(Raw_file_name)=9.RAW SUBJECT_SAMPLE_FACTORS SO1 preSO1 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:10 RAW_FILE_NAME(Raw_file_name)=10.RAW SUBJECT_SAMPLE_FACTORS SO2 preSO2 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:11 RAW_FILE_NAME(Raw_file_name)=11.RAW SUBJECT_SAMPLE_FACTORS SO3 preSO3 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:12 RAW_FILE_NAME(Raw_file_name)=12.RAW SUBJECT_SAMPLE_FACTORS SO6 preSO6 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:13 RAW_FILE_NAME(Raw_file_name)=13.RAW SUBJECT_SAMPLE_FACTORS SO7 preSO7 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:14 RAW_FILE_NAME(Raw_file_name)=14.RAW SUBJECT_SAMPLE_FACTORS SO9 preSO9 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:15 RAW_FILE_NAME(Raw_file_name)=15.RAW SUBJECT_SAMPLE_FACTORS SO11 preSO11 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:16 RAW_FILE_NAME(Raw_file_name)=16.RAW SUBJECT_SAMPLE_FACTORS SO13 preSO13 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:17 RAW_FILE_NAME(Raw_file_name)=17.RAW SUBJECT_SAMPLE_FACTORS SO15 preSO15 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:18 RAW_FILE_NAME(Raw_file_name)=18.RAW SUBJECT_SAMPLE_FACTORS TC1 post1TC1 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:19 RAW_FILE_NAME(Raw_file_name)=19.RAW SUBJECT_SAMPLE_FACTORS TC2 post1TC2 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:20 RAW_FILE_NAME(Raw_file_name)=20.RAW SUBJECT_SAMPLE_FACTORS TC3 post1TC3 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:21 RAW_FILE_NAME(Raw_file_name)=21.RAW SUBJECT_SAMPLE_FACTORS TC7 post1TC7 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:22 RAW_FILE_NAME(Raw_file_name)=22.RAW SUBJECT_SAMPLE_FACTORS TC9 post1TC9 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:23 RAW_FILE_NAME(Raw_file_name)=23.RAW SUBJECT_SAMPLE_FACTORS TC11 post1TC11 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:24 RAW_FILE_NAME(Raw_file_name)=24.RAW SUBJECT_SAMPLE_FACTORS TC12 post1TC12 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:25 RAW_FILE_NAME(Raw_file_name)=25.RAW SUBJECT_SAMPLE_FACTORS TC13 post1TC13 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:26 RAW_FILE_NAME(Raw_file_name)=26.RAW SUBJECT_SAMPLE_FACTORS TC15 post1TC15 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:27 RAW_FILE_NAME(Raw_file_name)=27.RAW SUBJECT_SAMPLE_FACTORS SO1 post1SO1 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:28 RAW_FILE_NAME(Raw_file_name)=28.RAW SUBJECT_SAMPLE_FACTORS SO2 post1SO2 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:29 RAW_FILE_NAME(Raw_file_name)=29.RAW SUBJECT_SAMPLE_FACTORS SO3 post1SO3 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:30 RAW_FILE_NAME(Raw_file_name)=30.RAW SUBJECT_SAMPLE_FACTORS SO7 post1SO7 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:31 RAW_FILE_NAME(Raw_file_name)=31.RAW SUBJECT_SAMPLE_FACTORS SO9 post1SO9 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:32 RAW_FILE_NAME(Raw_file_name)=32.RAW SUBJECT_SAMPLE_FACTORS SO11 post1SO11 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:33 RAW_FILE_NAME(Raw_file_name)=33.RAW SUBJECT_SAMPLE_FACTORS SO12 post1SO12 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:34 RAW_FILE_NAME(Raw_file_name)=34.RAW SUBJECT_SAMPLE_FACTORS SO13 post1SO13 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:35 RAW_FILE_NAME(Raw_file_name)=35.RAW SUBJECT_SAMPLE_FACTORS SO15 post1SO15 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:36 RAW_FILE_NAME(Raw_file_name)=36.RAW SUBJECT_SAMPLE_FACTORS TC1 post16TC1 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:37 RAW_FILE_NAME(Raw_file_name)=37.RAW SUBJECT_SAMPLE_FACTORS TC2 post16TC2 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:38 RAW_FILE_NAME(Raw_file_name)=38.RAW SUBJECT_SAMPLE_FACTORS TC3 post16TC3 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:39 RAW_FILE_NAME(Raw_file_name)=39.RAW SUBJECT_SAMPLE_FACTORS TC7 post16TC7 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:40 RAW_FILE_NAME(Raw_file_name)=40.RAW SUBJECT_SAMPLE_FACTORS TC9 post16TC9 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:41 RAW_FILE_NAME(Raw_file_name)=41.RAW SUBJECT_SAMPLE_FACTORS TC11 post16TC11 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:42 RAW_FILE_NAME(Raw_file_name)=42.RAW SUBJECT_SAMPLE_FACTORS TC12 post16TC12 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:43 RAW_FILE_NAME(Raw_file_name)=43.RAW SUBJECT_SAMPLE_FACTORS TC13 post16TC13 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:44 RAW_FILE_NAME(Raw_file_name)=44.RAW SUBJECT_SAMPLE_FACTORS TC15 post16TC15 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:45 RAW_FILE_NAME(Raw_file_name)=45.RAW SUBJECT_SAMPLE_FACTORS SO1 post16SO1 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:46 RAW_FILE_NAME(Raw_file_name)=46.RAW SUBJECT_SAMPLE_FACTORS SO2 post16SO2 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:47 RAW_FILE_NAME(Raw_file_name)=47.RAW SUBJECT_SAMPLE_FACTORS SO3 post16SO3 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:48 RAW_FILE_NAME(Raw_file_name)=48.RAW SUBJECT_SAMPLE_FACTORS SO7 post16SO7 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:49 RAW_FILE_NAME(Raw_file_name)=49.RAW SUBJECT_SAMPLE_FACTORS SO9 post16SO9 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:50 RAW_FILE_NAME(Raw_file_name)=50.RAW SUBJECT_SAMPLE_FACTORS SO11 post16SO11 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:51 RAW_FILE_NAME(Raw_file_name)=51.RAW SUBJECT_SAMPLE_FACTORS SO12 post16SO12 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:52 RAW_FILE_NAME(Raw_file_name)=52.RAW SUBJECT_SAMPLE_FACTORS SO13 post16SO13 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:53 RAW_FILE_NAME(Raw_file_name)=53.RAW SUBJECT_SAMPLE_FACTORS SO15 post16SO15 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:54 RAW_FILE_NAME(Raw_file_name)=54.RAW #COLLECTION CO:COLLECTION_SUMMARY Fecal samples were collected from participants using sterile containers. CO:COLLECTION_SUMMARY Immediately after collection, samples were stored at -80°C to preserve CO:COLLECTION_SUMMARY metabolic integrity until further processing. No additional sample preparation CO:COLLECTION_SUMMARY steps are included here, as details are provided in the sample preparation CO:COLLECTION_SUMMARY summary. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY The study focuses on investigating the effects of TC surgery (experimental TR:TREATMENT_SUMMARY treatment) on intestinal metabolites, using a sham operation as the control TR:TREATMENT_SUMMARY treatment. Fecal samples were collected at multiple time points to track TR:TREATMENT_SUMMARY metabolic changes associated with the treatments: Experimental Group (TC TR:TREATMENT_SUMMARY Surgery): Subjects underwent TC surgery, with fecal samples collected at three TR:TREATMENT_SUMMARY key time points: Preoperatively (baseline, before surgery). 1 week TR:TREATMENT_SUMMARY postoperatively. 16 weeks postoperatively. Control Group (Sham Operation): TR:TREATMENT_SUMMARY Subjects underwent a sham operation (to control for surgical intervention TR:TREATMENT_SUMMARY effects), with fecal samples collected at corresponding time points: TR:TREATMENT_SUMMARY Preoperatively (baseline, before the sham procedure). 1 week postoperatively. 16 TR:TREATMENT_SUMMARY weeks postoperatively. Both groups were analyzed using broad-spectrum untargeted TR:TREATMENT_SUMMARY metabolomics to compare differences in fecal metabolite profiles, aiming to TR:TREATMENT_SUMMARY isolate the specific metabolic impacts of TC surgery versus the control TR:TREATMENT_SUMMARY condition. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample Preparation Summary Fecal samples were processed using a standardized SP:SAMPLEPREP_SUMMARY protocol to extract metabolites for broad-spectrum untargeted metabolomics SP:SAMPLEPREP_SUMMARY analysis, as follows: Sample Handling: Frozen-dried fecal samples (20 mg) were SP:SAMPLEPREP_SUMMARY used as the starting material to ensure consistency and minimize metabolite SP:SAMPLEPREP_SUMMARY degradation. Extraction Process: Each 20 mg aliquot of dried feces was mixed SP:SAMPLEPREP_SUMMARY with 400 μL of 70% methanol-water solution, which contained 0.1 mg/mL SP:SAMPLEPREP_SUMMARY L-2-Chlorophenylalanine as an internal standard to normalize extraction SP:SAMPLEPREP_SUMMARY efficiency. The mixture was vigorously vortexed for 3 minutes to ensure thorough SP:SAMPLEPREP_SUMMARY homogenization of the sample with the extraction solvent. To enhance metabolite SP:SAMPLEPREP_SUMMARY release, the homogenized mixture was sonicated in an ice bath for 10 minutes SP:SAMPLEPREP_SUMMARY (ice bath conditions prevent heat-induced metabolite degradation). Separation of SP:SAMPLEPREP_SUMMARY Supernatant: After sonication, the mixture was centrifuged at 12,000 rpm and SP:SAMPLEPREP_SUMMARY 4°C for 10 minutes to separate solid debris from the extracted metabolites. The SP:SAMPLEPREP_SUMMARY resulting supernatant (containing soluble metabolites) was carefully collected SP:SAMPLEPREP_SUMMARY for subsequent LC-ESI-MS/MS analysis. This protocol ensures efficient extraction SP:SAMPLEPREP_SUMMARY of a broad range of metabolites while preserving their stability, providing SP:SAMPLEPREP_SUMMARY high-quality samples for downstream metabolic profiling. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME ExionLC AD UHPLC System CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 0–1 min: 5% B; 1–12 min: 5–95% B; 12–14 min: 95% B; 14–14.1 min: CH:FLOW_GRADIENT 95–5% B; 14.1–16 min: 5% B CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Water-VION IMS QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS MS acquisition Comments: - For Waters-VION IMS QTOF: Data were acquired in both MS:MS_COMMENTS positive and negative ion modes using an ESI source. In positive ion mode: MS:MS_COMMENTS capillary voltage 2.5 kV, cone voltage 40 V, source temperature 115 °C, MS:MS_COMMENTS desolvation temperature 450 °C, desolvation gas flow 900 L/h. In negative ion MS:MS_COMMENTS mode: capillary voltage 2.0 kV, cone voltage 30 V, source temperature 115 °C, MS:MS_COMMENTS desolvation temperature 450 °C, desolvation gas flow 900 L/h. Both modes MS:MS_COMMENTS utilized full scan (m/z 50-1000) combined with MSE mode (low energy scan at 4 eV MS:MS_COMMENTS and high energy scan with collision energy ramp 20-45 eV). Data processing MS:MS_COMMENTS Comments: - For Waters-VION IMS QTOF data: Raw data from both positive and MS:MS_COMMENTS negative ion modes were processed for baseline filtering, peak alignment, and MS:MS_COMMENTS normalization using Progenesis QI V2.3. Further data refinement included MS:MS_COMMENTS filtering (removing peaks with >50% missing values) and replacement of zero MS:MS_COMMENTS values with 1/2 of the minimum detected value in the dataset, resulting in MS:MS_COMMENTS positive and negative mode data matrices. Software/procedures used for feature MS:MS_COMMENTS assignments: - For Waters-VION IMS QTOF data: Feature assignments relied on MS:MS_COMMENTS precise mass-to-charge ratio, retention time, ion mobility data, and secondary MS:MS_COMMENTS fragment information. These were matched against multiple databases including MS:MS_COMMENTS HMDB, Lipidmaps (V2.3), Metlin, EMDB, PMDB, and an in-house database using MS:MS_COMMENTS Progenesis QI V2.3. Compounds with identification scores <36 (out of 60) were MS:MS_COMMENTS excluded from further analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area (LC-MS detected ion intensity) MS_METABOLITE_DATA_START Samples post16SO1 post16SO2 post16SO3 post16SO7 post16SO9 post16SO11 post16SO12 post16SO13 post16SO15 post16TC1 post16TC2 post16TC3 post16TC7 post16TC9 post16TC11 post16TC12 post16TC13 post16TC15 post1SO1 post1SO2 post1SO3 post1SO7 post1SO9 post1SO11 post1SO12 post1SO13 post1SO15 post1TC1 post1TC2 post1TC3 post1TC7 post1TC9 post1TC11 post1TC12 post1TC13 post1TC15 preSO1 preSO2 preSO3 preSO6 preSO7 preSO9 preSO11 preSO13 preSO15 preTC1 preTC2 preTC3 preTC7 preTC9 preTC11 preTC12 preTC13 preTC15 Factors Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:46 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:47 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:48 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:49 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:50 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:51 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:52 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:53 Sample source:Feces | Treatment:Sham_operation | Time_point:16 weeks post | Injection order:54 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:37 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:38 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:39 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:40 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:41 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:42 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:43 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:44 Sample source:Feces | Treatment:TC_surgery | Time_point:16 weeks post | Injection order:45 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:28 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:29 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:30 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:31 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:32 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:33 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:34 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:35 Sample source:Feces | Treatment:Sham_operation | Time_point:1 week post | Injection order:36 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:19 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:20 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:21 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:22 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:23 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:24 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:25 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:26 Sample source:Feces | Treatment:TC_surgery | Time_point:1 week post | Injection order:27 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:10 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:11 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:12 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:13 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:14 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:15 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:16 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:17 Sample source:Feces | Treatment:Sham_operation | Time_point:Preoperative | Injection order:18 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:1 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:2 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:3 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:4 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:5 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:6 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:7 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:8 Sample source:Feces | Treatment:TC_surgery | Time_point:Preoperative | Injection order:9 Glycocholic acid 19473.53295 42604.51994 31724.48023 39687.11971 30034.01783 36674.25277 20821.26221 25353.58432 25836.08053 165460.773 518332.8966 602735.214 137972.5297 2438741.123 2043358.558 2977755.561 7112602.026 744841.1696 7064.680152 22887.26283 5741.408314 24639.79964 5869.223875 14424.29877 11594.98905 34480.09778 22246.20596 1417071.303 218857.8425 181742.3002 316238.6675 464707.829 280325.5122 296368.5787 1290603.903 159370.551 10321.60294 7285.252753 4331.348264 9140.830533 13974.29521 6267.669663 12285.57317 35833.38991 29033.65803 14846.263 57838.32774 41535.09256 78790.11917 21047.12128 517172.0207 28884.86967 158603.4474 51304.15264 N-(1-Deoxy-1-fructosyl)isoleucine 242061.3044 575849.285 268807.7532 491458.7317 298483.857 221093.0954 590325.1658 556048.758 291017.7167 3112434.759 2447151.024 3670774.764 3164069.907 3150510.365 4443998.254 1958436.539 789280.318 1184841.834 107010.4468 45703.6599 82102.37977 57046.34163 57885.96385 39636.8384 81966.59929 116237.4751 88385.82143 3872395.173 3450419.982 3138889.947 3040003.207 5931813.439 4638124.858 4621860.793 1875440.958 2372329.995 421268.7515 184114.0816 262664.9712 195594.5279 141655.9758 94200.70829 96783.43572 169827.9989 64436.51624 155916.8697 251881.3065 716121.9926 819105.1282 1240879.227 4608967.998 826989.7604 3799958.094 776790.4093 Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)- 1100550.474 1679961.395 4937874.721 1223888.963 1980008.104 5953944.874 1916754.833 2009598.619 1934229.775 61148.22881 26496.44732 75121.89793 46298.16445 99226.59288 159364.5856 56766.70271 419947.4019 66486.81247 3700623.685 2857459.926 7349501.907 4341055.593 6913655.604 6225195.62 3848932.978 1351659.751 2546590.604 87595.1593 68282.26496 47219.41717 261270.4538 114186.4029 68253.42787 161457.5265 185864.5835 73373.20487 1371957.816 1295312.104 4910153.71 6510511.004 2561496.995 6740890.064 5482057.83 1076521.111 3385069.598 11597617.04 5966097.402 5034457.824 2296157.617 2073745.578 99974.57673 5410768.575 39401.18151 2975679.743 Taurocholic acid 138837.6465 258485.6115 213442.7472 104855.0886 71856.96353 296014.2848 215421.5071 195370.1079 206981.6536 1152477.519 5286572.604 4918017.873 839016.8452 10697894.62 6442050.351 21883320.63 130575022.0 2207991.975 39578.85602 39753.4199 67611.56487 118996.6901 59093.79897 78776.06029 57180.56173 201532.6988 88871.4806 72873812.78 1088656.227 1437499.742 1286073.261 1944256.913 3676396.909 1412488.114 54858863.75 1247873.551 82654.68471 59267.91454 89995.02646 57629.53069 46910.64422 62149.29294 52233.10081 198491.384 82710.96563 69052.99981 520174.2111 172767.6386 355321.5357 112804.4454 2796747.378 202907.2729 1237334.061 356347.6951 PE(16:0/0:0) 2738.634906 3723.702837 3669.926136 4211.417612 4706.726453 3845.314088 4508.386622 4136.000129 2397.122856 55353.33518 54858.11671 11348.18726 27968.62541 16526.80164 1952.992183 29127.40632 10862.65117 12923.42111 2483.906206 4752.323128 7824.586782 2323.092847 3972.545111 3199.103377 4077.28406 3832.370207 2752.712279 2143.093437 4637.777884 18577.00792 36769.67594 2492.916364 2593.53825 2239.337654 5397.890301 75640.29116 3661.831457 2401.700515 2186.801858 2437.956239 2484.292887 3105.782816 1703.137972 3298.191976 3730.309369 3943.837217 3724.996933 2977.562096 3118.579492 2440.838218 2894.941466 2833.945898 172435.2788 5496.139895 3-Indolepropionic acid 63770.44494 103510.6048 66528.50658 60232.97775 85203.62426 40334.45485 43332.27846 76771.87705 117769.2347 38.52353953 98.07021003 138.1431995 4.07813e-08 54.97048082 4.07813e-08 367.0273687 4.07813e-08 34.77751436 33588.0943 35983.3506 42740.71557 42598.6517 27458.70164 26357.57089 43193.8195 125314.0385 66595.1896 179.673722 151.4484243 433.0102618 251.6619897 75.67357053 173.5825819 202.8067093 179.8112334 164.7277859 36765.05775 54854.91648 48358.62228 23820.16567 42827.8587 30578.1574 34798.57013 112498.3836 33873.6261 23571.32304 72010.64563 55826.3287 73373.40239 80697.13095 144.2039644 61782.03477 1078.307198 71908.29601 Cholic acid 1434345.607 3001321.008 769638.6246 341641.139 621006.1829 1291618.916 717472.1329 1763414.128 2126769.47 4795794.471 1965795.022 11320775.96 5009746.139 15253816.76 13409175.7 9178541.205 18413068.79 14826797.63 261971.8607 387724.0461 463638.4774 342888.6802 501228.0054 661739.7786 314256.784 244648.2968 502351.3684 7357560.425 7502108.281 2638149.872 7735878.103 4535683.485 3401573.237 6359742.927 11501583.34 4272837.04 190502.8817 264229.5505 220700.0121 343347.3308 286937.098 334015.9473 623207.6664 251399.9123 372105.8707 538566.3655 4385563.822 2058803.177 5042055.86 2048491.246 6282867.6 2278124.932 3234724.136 2863362.459 L-Proline 940896.3053 816963.4838 683112.0699 594048.9017 606275.7868 642067.1305 759187.543 1240184.917 1662170.61 1228346.297 972761.1169 1056391.817 1450773.054 800370.919 1089626.37 1145654.749 1864564.098 2578213.491 755941.1928 577238.9649 508760.106 360756.64 412645.3342 797095.7326 736245.1308 742610.3312 713331.9234 3561596.225 1667534.985 1907067.099 2493485.559 1927520.953 1954163.074 1822754.964 1619247.254 1098339.174 1358440.456 592683.1769 654227.1759 640165.1069 610060.4209 506247.1041 878549.8024 982617.7171 293205.2303 916956.1331 899041.6548 1115110.019 846976.405 846867.9085 1173564.822 1315925.989 2035270.707 1036526.45 Taurochenodesoxycholic acid 2586.057603 9788.120604 24296.98072 8569.676301 3980.631348 26492.97836 7412.770644 9897.913654 16093.78315 237841.2217 1228490.319 964676.3014 170064.3922 1404933.969 1115474.687 4291720.873 17816866.73 82929.85119 7289.207788 36912.63026 8852.386498 23829.70078 11074.63536 13318.10046 7609.652892 34968.28925 8380.427103 10341105.72 224999.1244 975219.1088 396630.3521 678600.7328 1338942.3 560731.8322 11188196.53 738100.7062 9745.838177 17044.78214 6882.586272 10293.02732 11554.69602 7371.858764 5442.63234 12585.71533 8891.966409 18637.90594 6670.738518 14407.60414 4310.504402 5143.147484 132778.7458 13449.41672 366895.5607 33191.12097 LysoPC(0:0/16:0) 57221.22632 61787.99149 58614.71874 53210.03576 54487.06517 43303.70354 43342.41065 60331.91649 58902.6422 222500.8139 228891.6842 56032.83794 124455.1542 115847.6452 26234.35082 192270.2452 89419.54935 105254.199 39243.32822 36722.18823 42243.86375 36738.02459 32935.07384 31402.63177 52427.28632 49322.08628 44345.2264 33833.16542 43145.20915 81878.53227 126083.9808 32369.6646 47790.1862 36376.17469 51504.59881 194056.1097 40948.73756 33849.9089 38944.82682 32015.16109 43949.14586 43612.547 41514.90614 53039.41822 41332.24049 39790.25116 38714.35702 36393.49629 52977.31556 49728.78889 35523.35558 43616.40819 786013.9679 53241.13613 LysoPC(17:0) 4.07813e-08 5523.166629 5951.440855 4.07813e-08 3313.088342 13290.52048 2242.335595 5174.37056 6550.621081 1945868.489 3031309.737 159773.7901 1002063.919 4680903.927 8370.766389 3447258.264 2353841.202 1833333.291 4.07813e-08 4.07813e-08 2503.316134 281.7556094 1760.851979 7.190977372 4.07813e-08 4.07813e-08 4.07813e-08 3214.940033 55793.4976 724712.0259 432621.4605 4.07813e-08 6444.542399 2965.891905 106441.0872 3450456.799 4.07813e-08 4.07813e-08 408.3472638 4.07813e-08 271.2853584 4.07813e-08 4.07813e-08 4.07813e-08 207.3661606 4.07813e-08 581.6203066 191.4968043 558.7628532 4.07813e-08 9041.476879 4.07813e-08 2547968.146 4287.400307 LysoPC(18:0) 13502.06128 11024.6948 12858.58772 11023.2274 14383.17853 10728.78669 11607.4745 13651.9777 11936.85197 175399.6031 186416.3797 14430.73256 97389.61324 84423.30214 6116.424326 120827.8977 48173.34884 53915.99032 7288.219231 12207.24651 9161.608097 8434.019057 7614.090449 7401.028435 9794.327793 9405.31175 10733.37943 6508.068965 16908.88974 43279.52655 170715.9963 7653.481628 9248.420235 6773.514674 13969.38699 229433.4318 10004.2369 8036.366583 6765.836607 6442.862814 8050.42495 7362.810585 6926.057969 10848.38226 9741.936459 8705.940031 8052.155178 6864.88215 6211.408382 9014.57716 7285.929758 8050.661582 1429856.261 12045.981 17-HOME(9Z) 308688.3776 369491.9214 759259.7023 389305.7085 366048.8403 285444.4108 218469.8714 336169.184 386094.9873 1906360.743 2101035.63 1106404.197 1763316.574 1170382.537 772091.3882 5270123.582 2431947.942 1196530.699 433114.0736 450131.9787 317232.7121 239940.7502 242309.7434 303903.9825 244837.082 1086994.951 268723.8896 620855.9917 867030.3517 2575628.303 656846.5796 1049314.496 1659181.451 458905.7345 2718515.248 1157233.768 207409.3905 273169.3648 266971.3936 233822.9993 242707.7284 218369.7981 282062.4559 969926.4645 327694.5824 253472.222 523065.2237 508684.5693 240588.6492 332479.0509 427022.4867 460163.146 1789931.341 304255.8495 LysoPE(18:0/0:0) 966.5763083 4747.466778 7427.303335 1274.985002 4619.153933 1926.069611 2775.67755 2664.04774 2272.271936 365520.082 384979.0549 37457.28402 186058.6368 78874.56497 2530.239785 182433.1632 19514.19847 55550.20424 2368.361271 1276.070554 1232.482165 1991.820085 2429.779848 1514.111923 1556.055361 1025.070667 675.4270203 1726.240353 22297.50661 101597.4537 274885.1307 1522.212148 2199.041134 648.777827 12912.154 317440.9945 1046.530671 1530.110176 1410.626172 1400.051818 528.193261 442.6911835 1251.854973 522.2276664 2293.951285 1072.706866 892.9646414 1252.812071 1155.339072 740.8234626 2042.202282 1310.46519 1778135.942 1864.539241 (S)-(-)-Perillyl alcohol 64371.85506 44730.68792 59967.94055 47712.09824 62663.97042 61397.51494 54948.13718 71508.95484 58270.35001 3711.393471 3709.522207 3539.992382 3686.496924 3548.702441 3084.004158 4411.80611 3591.303041 4374.254825 110228.9488 106928.4205 96455.46554 92678.24269 108698.67 106377.9503 96749.74611 116376.0395 120997.8723 3257.550738 3466.820867 4142.999426 4345.647866 3861.226336 3937.576661 3302.615301 4113.99435 4342.415278 62837.82565 86502.63415 78400.25929 95057.46987 94685.15772 107301.5238 102615.5342 114258.4218 136624.3334 82015.85528 61871.81222 75899.28946 62679.74867 55413.7893 4193.409403 69785.70585 6828.449286 80711.71134 Pantothenic Acid 818090.5966 649125.7913 720135.0774 981295.529 688368.285 536557.9202 700794.3032 1469429.275 1193331.057 60445.51646 42399.11925 95539.4751 69176.81655 89576.72824 68394.96233 66269.2531 72936.75987 167661.7148 524346.5301 579334.9163 637545.6932 250767.2913 587778.3929 394971.1709 347068.8411 228876.4503 418688.8769 106738.1032 77676.88051 99974.12059 133764.1029 103483.8447 70620.00745 79787.94948 75477.47748 129940.3159 511220.8965 530279.8085 816466.7222 661909.3732 505850.4663 378905.7605 577474.8377 393759.9925 108086.8935 824228.9383 408652.4527 1047205.839 895720.423 743438.7454 97568.72368 1007654.369 65670.18877 984082.2426 Taurodeoxycholic acid 4.07813e-08 8841.237089 6654.14343 2275.770097 5357.438692 7761.383049 4772.23205 1292.819645 5095.762684 83334.48195 481391.7336 340058.5717 60205.41938 513066.8223 387338.6168 1526668.288 5396174.938 16471.101 3437.922591 12809.22247 2634.359525 9309.062971 4590.651681 6631.579629 2719.147551 12592.55742 3202.759464 3334231.027 81213.15491 391081.9823 160090.1585 344359.6967 527567.3703 216747.4911 3937878.301 268477.0833 3676.782724 7459.746958 2663.297307 2073.924783 5577.907083 2652.427223 3713.330942 5012.479405 2620.477258 3876.243561 4222.384784 5298.229473 1207.389028 1273.984678 47392.57763 5059.275118 133668.4083 10959.60576 Glycoursodeoxycholic acid 2213.370008 3450.20125 4520.270514 424.8774841 2118.875784 5295.122621 974.6380271 2292.252877 3348.765577 44963.82333 55348.28697 115820.215 33028.03805 203621.8828 234092.423 231125.5265 189810.2944 53301.50597 2267.512623 3747.411538 2383.055916 3989.092456 1619.565313 4638.44415 3050.058385 0.988447894 269.8729226 119013.9301 48771.25818 47499.67617 75807.03725 52797.26228 77677.71096 90403.39966 166692.5859 89051.77617 1364.359589 4319.566505 1767.143999 2786.047321 1086.218806 1544.536869 3796.248267 0.122065986 1991.583297 2922.823937 5740.100396 2498.817555 2084.200754 1823.582777 27888.80726 3164.525481 21913.39948 2913.748671 Glu Leu 235772.8717 542791.0029 168952.0387 258733.9478 111843.0632 113686.992 329876.49 466209.7493 389560.7154 41419.46512 51879.81811 50433.91168 37077.67237 19736.68761 44035.43309 37588.75387 33641.12218 29041.267 23123.3604 35067.38329 88100.91589 20081.03503 20723.51582 23792.48328 33682.16345 45755.84692 41477.26051 32970.41206 33076.9599 22583.3484 36514.83383 26721.71981 29338.21814 44464.637 38840.63474 34715.40585 60904.5649 81916.68803 92550.7894 71145.39496 23945.05257 27135.48315 20247.84582 38765.77883 22383.71478 32431.45948 104754.1812 68757.95976 194961.6916 317922.8698 19348.51578 95448.27018 34731.68268 56548.34581 L-Isoleucine 2824204.174 2947783.786 1463758.819 1577126.371 1318907.798 1090283.719 2475150.249 3966057.923 5331986.873 1749827.634 1583947.773 2576989.359 1853338.371 1330979.71 1935271.765 2035117.999 2473844.403 3548880.203 833862.511 832140.4092 951986.7625 359773.8218 685871.1326 881857.3372 1321240.479 1496184.283 869521.1908 4821944.296 2426545.643 2546493.542 4080630.989 2533514.153 2752877.612 2437906.982 2938664.206 1857036.679 1660130.538 891710.968 883029.0145 1132425.276 797151.4058 611066.0767 1314988.236 1592499.712 687922.0067 1727445.688 2121357.657 2152288.359 1914394.742 2163164.069 1667844.722 2504830.205 3856355.412 1637781.629 Chenodeoxycholic acid 330931.1241 852127.7347 1714146.732 1394233.841 1242820.514 2185326.74 1759172.454 1836232.084 1698105.604 397572.659 77335.25434 957430.6649 339278.4085 843215.6779 1000687.741 462952.8967 1660393.489 667814.0935 2190196.959 1759057.321 1705734.556 1199881.68 1176024.388 1305168.699 1212225.761 1066015.134 388621.9505 281439.501 624609.7449 368500.4938 657082.9404 251216.1282 256002.5971 708938.1798 984176.1762 761890.2252 1542100.751 614686.3002 1330153.741 898618.6181 1289381.94 897524.5057 1037739.89 857318.8825 268307.8494 4086936.086 3226641.942 2287444.315 1350020.316 744493.8691 343081.1202 2306776.904 253724.6849 1697298.35 D-Pipecolic acid 1113260.707 1517737.616 869710.4971 860250.3778 713269.112 835322.7066 1065634.786 1932418.686 2775022.148 769015.0273 1017890.871 1301862.667 827196.0597 719353.022 906675.2292 756439.9954 893099.9715 1517060.981 780499.7816 849126.2058 1181105.752 560657.108 905770.7492 1131065.964 881707.8902 759238.3508 972116.3473 2681484.263 1047199.441 976916.2806 1895788.133 1082666.503 1010034.576 976502.824 1183734.191 932323.3472 892704.1863 584739.7636 724205.5798 1093391.329 711616.4359 720716.9817 1147352.175 1002157.015 481228.2576 1373103.524 1169368.99 1224553.515 1082904.705 1175118.378 879027.8923 1248037.691 2144789.054 917766.066 Citrulline 1665334.872 1904747.243 1430600.77 1257786.586 1212711.088 1307527.598 1701236.738 2851580.982 3691400.477 194500.899 153707.2094 308941.964 189805.9752 292053.637 231154.7816 245870.2678 495785.1801 807230.4084 928427.1726 952993.3136 1067531.524 506156.7725 789455.9114 1410106.263 1116279.625 1003479.675 1338369.52 637417.244 237628.7495 351612.3788 690641.9354 567234.5921 287276.5684 110056.4458 679310.4382 545450.2925 694664.3527 749604.7624 1078191.202 1126843.358 975013.3691 622565.1494 1440674.109 1210060.823 416168.0569 1454695.165 816784.4657 1592952.941 1237167.438 1458044.952 376144.9261 1507016.584 385915.6109 1299938.128 LysoPC(18:2(9Z,12Z)) 1578.228461 4.07813e-08 1219.804291 997.8904961 1003.863502 1165.107576 712.0060729 2975.168359 2972.053659 56223.94996 57932.80438 8931.148277 25242.92157 34748.84221 406.6437792 56628.86672 15612.72993 18092.44382 979.3704129 205.6447084 2599.104871 357.7876056 155.9003822 787.5419108 2540.478358 1706.563106 1120.009109 716.271113 2385.695205 17365.03816 10235.26346 428.7448451 2572.366374 900.8559763 8635.825202 33169.13659 753.7848577 457.869477 374.0854656 159.4396763 2753.071794 568.0053497 1522.220163 810.9951522 1091.447888 387.282699 4.07813e-08 4.07813e-08 1748.56272 1276.892207 1453.821528 1218.013232 53022.53509 243.7308544 N-(1-Deoxy-1-fructosyl)phenylalanine 36643.02108 83395.50913 31399.56461 77618.34532 46388.06384 35994.88029 75024.8986 121673.9258 49964.93397 353183.4348 266456.2825 121817.8999 368683.7652 95647.04203 320657.4015 55847.81217 82564.31022 143691.3013 10664.14208 954.164198 14237.86046 1996.406238 2741.448984 895.3793543 7120.287644 889.3213994 4521.134222 386912.3907 288618.8344 94945.56034 263261.7094 395141.5857 227831.7601 431589.4743 71111.62278 92969.24985 96432.89711 27731.61186 49786.85067 41078.99118 20313.25285 13776.86661 10524.41025 5371.839788 2787.470235 19807.656 28655.04057 129731.4497 171520.4997 263523.175 397950.5935 143650.4585 341453.598 90715.05863 N-Acetyl-DL-methionine 6826.143433 8837.048108 6420.478189 5562.376273 6394.245086 5588.936179 6363.711429 13278.48454 14986.50296 9347.858011 8573.699623 12181.07744 8211.123088 5642.811466 12559.51067 37104.45127 16103.00366 4951.135533 8441.872078 5327.619982 3835.323604 3785.760197 5378.971649 6353.963952 4749.38083 4958.542417 4605.253378 64801.19626 16486.07693 24960.1296 37659.1925 25012.94143 34805.25566 16718.13684 46623.96806 18229.77076 10200.33339 4988.976099 4178.071939 5438.884071 4985.619849 6788.441279 8388.685621 6984.36697 2569.945376 9302.759814 6335.027257 9481.52512 7664.868458 12318.93767 24523.27275 10764.41043 27475.83069 7405.968608 17-octadecen-9-ynoic acid 76795.28152 95256.62877 103505.5319 103853.775 107415.8322 92256.99784 75686.29244 117140.3974 96924.60354 138998.8004 169273.8304 216045.2029 120820.8257 220801.3562 329054.3174 1169197.783 1116434.943 255822.1388 97795.73335 74970.31135 90147.48897 72958.08065 84970.35475 98132.9888 74547.27582 266569.9309 105473.1374 331780.252 80859.46615 192026.6536 145351.1561 103311.2755 213200.6073 151696.4276 925068.6638 189993.3607 66911.81177 70810.92718 71320.73444 85574.53509 86053.88131 79522.62485 94016.53703 223364.2937 99781.14971 70322.21043 68918.2471 80422.73985 91481.12782 70751.83139 114542.4376 79486.06861 210645.929 76917.74825 Tetracosahexaenoic acid 1993687.352 5382894.794 10056745.88 8109403.896 7657800.883 14175211.96 10879006.37 10597019.71 10236493.29 3088119.318 559642.9949 7292248.564 2644570.001 6893453.339 8083887.443 3485229.844 12638697.63 5142919.044 12285996.93 10866160.53 9918364.725 7409279.599 7277006.406 8474993.005 7230745.872 6230444.453 2283114.636 2206678.142 4762187.2 2834454.864 5190370.199 2039274.803 1891887.784 5395891.279 7456010.166 5853907.849 8983744.882 3820247.939 7978754.105 5531867.828 8009125.163 5251863.06 6140579.645 5167765.995 1723473.046 24782496.32 20386781.98 14791003.23 8471297.658 4489250.1 2569999.648 13725211.43 1890541.414 10399375.77 Soyasaponin V 622.2856741 614.3946325 4.07813e-08 4789.634926 4.07813e-08 480.2883884 325.1687741 2647.341278 2337.198992 378040.9022 278049.2503 265266.9988 261344.6201 252661.4164 202543.3283 107376.2194 282245.6989 406083.5219 363.9990781 255.6978245 1288.013462 1286.520301 1004.979868 1740.218354 1641.554345 2934.77724 3549.107249 183236.2877 224642.4897 283784.2855 213916.3399 395889.8201 243264.3012 157067.786 222706.1053 179592.6458 579.5159829 284.071518 2070.917972 612.6069703 1075.35412 2648.533581 2876.620804 3060.463498 317.5330145 708.2666029 841.0501401 130.0448504 5746.193584 1763.699777 201558.7731 2188.60032 495135.4131 5814.309623 N-(1-Deoxy-1-fructosyl)valine 140583.2547 269928.564 147697.0302 205334.1938 174876.6201 125697.4899 281684.4163 212173.0566 115899.6783 1162872.355 908805.9484 1026143.825 1233561.11 955764.9818 1324114.846 585831.618 372871.5083 537544.2796 94915.57628 69882.20169 66350.25301 66748.03748 90142.36963 74772.8803 112028.3805 80496.42895 99389.29851 970083.3443 975160.0364 800414.3161 851111.0707 1428735.078 1244219.815 1224726.975 564272.8513 634409.4012 527144.456 110081.0492 148929.132 113222.7027 103392.2993 104792.6921 98300.9372 105549.3235 75438.86777 94016.94011 112384.0047 303319.5974 372668.6753 489321.8868 1338852.432 332933.2795 999946.0763 320170.2109 Soyasaponin III 4.07813e-08 439.5701792 951.8603682 807.5194773 4.07813e-08 509.1600414 4.07813e-08 2311.534965 2156.72533 179163.774 170254.7941 140903.2491 106877.451 184472.3335 87496.67693 78990.23198 195977.1091 216353.4471 8.191044855 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 435.2358332 4.07813e-08 72270.35547 95408.25857 143680.4144 110486.5328 117985.1452 67315.94101 62709.33211 94924.66057 122311.0995 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8.059836364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1357.206634 69479.41905 444.2489577 237314.7809 6136.030637 L-Glutamate 1572344.159 1843927.61 1496484.88 1550408.036 1996010.832 1585061.194 1548678.852 2440437.801 3342848.137 1368009.557 1583276.178 1805998.475 1491247.772 1317107.019 1319786.004 1997633.737 2242987.584 3500967.544 977799.602 1381312.103 1231417.524 581857.0909 1249552.13 1249007.007 1052263.046 1791733.778 1725786.12 3777818.488 1885011.723 2607224.594 2943327.846 2530456.686 2141736.779 1956134.132 1923794.565 2052511.585 784594.5283 941957.4013 1075785.734 1435371.681 815014.8366 1155573.401 1200913.22 1979016.444 476728.3615 1464659.67 2043767.078 1705710.233 1971835.4 2073249.918 1930059.905 2379677.027 2563843.855 1806917.026 Medicagenic acid 2518.480446 1193.256914 7459.605316 5452.109156 239.9850126 5057.222531 4823.166012 2037.063336 11706.82151 166.2034149 145.1956041 322.9240276 615.9438798 838.1035378 1087.59687 1.10170234 3629.01312 731.7883433 73404.84622 65623.37553 4840.721016 23355.65715 2409.103415 19485.43029 26889.31291 89415.37253 8313.306611 4.07813e-08 4.07813e-08 158.480646 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.1610957 4.07813e-08 4020.708564 58392.77039 3759.197582 2617.717868 17084.70973 536.1113606 10822.63906 71750.42572 16236.48395 9883.016585 61580.30702 37259.62044 1279.821239 4.07813e-08 324.6689133 22514.90995 163.1254177 4395.20767 trans-EKODE-(E)-Ib 137680.1619 148540.0017 186201.3389 172793.5755 324707.4166 149582.2748 112760.2487 126538.5882 130760.4373 117494.5428 94190.31515 77423.62387 99751.17097 77340.74261 93149.12685 105343.2463 78198.10402 89931.73515 118183.2502 124961.3349 111009.3306 123121.2221 124215.9658 117691.5681 127583.4047 162667.5772 127572.7652 67816.78173 87425.60443 95242.68397 89014.64552 77111.82394 99965.312 82409.32496 98235.02315 94103.71504 118086.1248 106533.0257 108525.0304 96796.16667 117428.2945 138360.0364 133012.3361 147882.9817 158176.9986 110799.9456 105278.2248 98472.24348 107768.8738 106996.5475 80440.04461 118510.171 121458.0126 124833.0454 gamma-Glutamylleucine 18176.02519 20099.04327 11442.91401 11608.93201 13461.67573 9475.626098 11945.35617 25449.46276 40860.74948 294845.4713 224771.51 261837.3843 323872.0051 79138.5753 58520.37029 195307.4513 88506.19373 110521.362 10607.11174 13371.30416 12987.25438 9502.96395 8345.999633 7102.296381 14766.32486 272976.9546 30325.44443 327452.7389 209378.4957 139157.3213 202649.9137 174057.1163 382919.5085 114543.1516 101796.3682 160191.7267 24355.86743 8572.66377 7852.851455 11147.01505 8809.613929 8282.881737 9527.441072 192782.3256 61132.87408 30519.77741 20856.95527 16423.17405 18565.08836 21579.1673 308440.7188 19248.42656 322058.1349 13022.61008 Tryptophyl-Phenylalanine 6737.068546 8497.870057 5408.286763 10367.82446 4580.666 2665.626653 7878.450782 10110.37508 4767.226422 25401.05472 31872.19108 21347.52704 21494.46444 9236.830415 69470.76774 34218.18465 39061.69857 16444.31309 1654.433085 2421.228533 11129.52937 2534.099924 4535.315649 2066.436551 3374.093563 3506.62037 2451.157157 20716.86187 34769.49334 10220.83243 26884.27121 11137.23602 17951.52076 18000.87268 44262.11584 9994.837049 5216.929932 4223.558392 5171.465847 8181.795887 1670.233678 2939.029756 1468.90993 2330.909686 2630.147034 3139.468265 2625.349264 1732.802719 4805.267001 10938.42579 7807.907307 892.3462735 7218.101076 817.4264848 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid 67512.04374 82576.20701 122438.0054 101269.2562 88141.85718 123430.6393 110376.2995 105233.6427 86868.46547 7114.705685 667.8539507 11372.6215 9494.705229 18803.82323 24155.47042 3217.106619 13063.51511 35625.84971 50554.90182 83651.00156 66573.45 75705.51629 63764.65507 73248.83615 66224.5118 48507.43137 43131.3941 4824.363493 7825.956798 1013.083353 7891.472083 5096.046697 749.9255578 10608.01314 1116.834622 4867.005868 59019.34947 58052.92621 52839.61765 80415.1409 71881.73008 51563.81493 68232.25513 42531.63844 28189.08365 107689.3513 101556.8541 61482.58072 74752.06329 30406.99027 30154.78064 63974.08995 3900.811599 118804.8023 Soyasaponin I 2845.618971 23246.57677 4030.304918 8837.356608 7855.032472 6587.414288 14389.86439 14969.96154 26061.68248 4257451.154 3712640.529 3109583.215 3271181.919 3511194.61 2716969.689 1741870.193 4090856.705 4964001.842 7382.874635 4144.641869 6178.974925 8742.984739 2770.336899 6541.082476 18279.82136 7672.399926 14718.34865 2141579.706 2819792.041 3389784.904 2843408.436 4247308.211 2575205.047 2062304.012 2251208.657 2600424.324 6329.182165 977.7216926 1786.809403 4074.661403 12100.74904 5034.804581 7159.890028 6362.695586 9979.706592 8903.76503 18628.61239 10854.01676 15955.2484 17031.66508 2651226.157 46383.91973 5668006.473 45105.97304 Pisumsaponin II 1379.413738 768.9110701 208.0071185 4.07813e-08 1428.776408 960.3264514 4.07813e-08 4.07813e-08 1346.116081 205418.5195 152951.1939 93637.1184 161155.7456 101394.1244 105835.2551 46125.97979 177873.962 200409.4938 4.07813e-08 243.3449444 2.603462374 4.07813e-08 70.08570532 4.07813e-08 486.7120375 1752.5287 5398.648195 74948.06542 108740.8477 100198.438 99530.95669 147320.6216 102709.6264 88926.82243 62030.63704 69650.25209 3504.543518 833.9585676 1039.881211 163.3832822 3789.325732 1478.715792 4.07813e-08 1595.899451 70.25772461 678.4115475 4.07813e-08 4.07813e-08 1406.804466 2901.172747 110923.9277 162.2079861 209466.4257 44.70143712 12,13-Epoxy-9,15-octadecadienoic acid 84856.11694 102956.7778 164766.0256 136355.8506 275096.937 141894.5839 71201.23692 76552.47367 104256.3998 304489.0933 251253.4374 137233.3693 232872.6415 137304.5291 164898.0995 330308.9697 121552.5731 105563.219 118838.1312 127182.3151 78684.23128 86895.21706 67762.43568 110090.3458 86653.2575 197604.196 98492.1038 90334.77223 127663.9486 184399.8588 149647.3815 119756.8275 187573.0404 118316.9646 229047.3632 131725.3239 75547.86803 78704.75908 73445.52839 49099.97902 74080.99438 70826.20603 96254.00442 174831.7115 166630.4433 91665.78924 107477.1142 74415.2568 58009.83724 65061.96566 92543.7012 98282.7096 240112.3777 84896.72599 6,10-Dimethyl-5(E),9-undecadien-2-one 2121.11751 1295.678376 1603.926118 1077.877024 1879.543477 2414.936084 3053.500795 1255.943319 1665.890953 571.6131776 529.9984666 643.8152767 326.9737774 459.4294589 142.7481334 765.3196527 568.8625927 553.3061985 248.1875751 396.1876945 749.9311253 1184.844051 816.7959567 333.265538 552.606259 745.1496116 750.6155823 408.0209229 472.8161485 582.059226 611.3526778 327.7299357 728.0607693 480.085414 933.7053187 630.041477 2204.686802 771.1322497 1248.235106 719.5857457 598.2298241 841.3966005 907.1918872 1102.846517 413.6386083 425.8947936 1094.573508 1103.062762 2862.805076 810.9370253 5215.138815 1040.074568 23038.31976 2667.428568 Histamine 69226.01026 259624.2778 49535.00108 41763.70816 17619.43821 27246.38252 78220.33195 97262.66423 305473.8853 240498.6085 182491.9279 131144.2114 263367.2821 200861.5218 418314.9084 129924.6186 324081.8334 206385.0983 27649.6031 37376.48953 129675.0987 130982.3111 86162.61497 36868.43675 102490.5592 20008.92647 47597.844 403820.8517 399331.8722 154790.0141 616967.1782 756336.333 295995.1619 391185.3782 720971.1105 543700.3103 250444.6248 57082.10385 110645.5337 63527.82774 104971.0762 77266.12559 47099.84389 26556.17149 174389.8864 32487.00044 51984.32079 37114.44713 117692.5547 286174.0043 591829.4563 79845.26482 429366.8678 82471.81948 D-Pantethine 16130.51417 23910.94253 38547.43988 7045.073999 49140.66893 152103.4475 14331.76689 3944.199342 7338.324392 663.2545137 1275.978297 508.9519134 6.9850257 2022.876438 2051.398116 4468.622725 2580.822849 1857.823074 118234.2624 82317.40406 82385.12816 97086.6082 185937.4319 169338.6351 108796.0036 113276.1436 281777.7427 2035.961925 1368.418234 1903.847776 295.4562657 2472.527823 1170.809501 1105.90167 599.9856786 853.2918932 2123.068626 142698.5836 40963.0571 180343.9074 73986.27835 97444.4607 160700.5517 127470.9875 27305.87715 61360.86762 45711.8703 5823.127844 7477.793719 14326.3253 1965.609465 22671.76908 131.5996218 17570.83396 L-Ornithine 15282.06424 32372.92292 11676.08788 11446.4784 27541.297 12022.84684 16295.0365 39076.35668 35038.38659 29206.82381 16491.94928 17244.61549 42812.01697 13192.19457 22865.10168 14958.3581 39864.86042 153674.0715 8770.402759 12980.29184 21716.44545 14234.22834 26552.91048 15128.05361 19006.91313 89858.68313 73889.4622 240628.1598 67317.53647 89733.28434 152220.1029 98615.25011 92001.61779 11465.6601 61688.25379 52158.30687 88828.99843 6194.898617 12681.45486 23018.97205 12478.30011 17529.38514 17041.40501 107197.4948 14078.71819 15219.81263 9325.773839 10431.19792 29947.40971 36839.84212 40276.21 11349.50178 72637.635 11663.7233 2-Hydroxycinnamic acid 3215386.227 3486835.168 2168595.733 2123447.764 1722399.25 1995634.29 3184820.9 5168949.872 7277079.266 1717818.978 1962953.251 3103368.793 2034677.08 1637423.463 2268909.663 2273141.262 2934177.071 4678755.717 1074274.985 1115583.718 2332086.392 730933.6258 1500354.789 1196533.016 1868908.777 1035022.796 1327724.755 5899169.984 2752830.134 2726117.72 4783234.719 2302046.372 1467310.997 2335889.09 3428582.652 2182600.084 3093049.979 1235674.187 1337404.896 1878510.398 1228154.354 982911.4164 1658705.348 1349689.816 736133.9828 2169803.23 2595585.579 2655318.169 2571219.216 3220151.513 1845945.284 3059526.743 4340299.931 1952509.688 6-hydroxy-9Z,12Z-octadecadienoic acid 152463.2336 169785.5118 173270.4082 190802.5883 185393.9061 141219.0246 110944.6103 136845.7583 135761.7336 68287.70656 60453.63173 55842.28477 66205.80661 75995.70692 51238.66002 90284.0477 66391.36693 66480.53359 151052.9112 182822.4736 184253.8927 151662.5921 174525.8082 184813.4107 111932.5774 267620.2007 152012.7796 43954.25272 72963.90478 140598.9334 59788.92219 115660.1939 76327.85069 56057.19282 83810.91904 64004.83856 94115.26353 142701.2719 128866.2618 123057.1958 166605.7068 155869.4895 205060.6789 177250.2231 222825.9019 140175.5976 110548.6029 126712.3967 122227.918 116624.8058 73992.73159 128435.761 94884.52044 136249.1259 15(R)-15-methyl Prostaglandin A2 15284.71897 24862.65237 16437.724 13213.7653 20803.23917 34457.84793 5806.184192 14680.02834 16798.54354 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 320.6463508 4.07813e-08 172.7311006 4.07813e-08 15025.81091 81614.73169 15575.24621 15144.79279 19362.49735 20005.31223 12133.77804 12421.51233 17830.99214 4.07813e-08 4.07813e-08 83.09299055 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81.22110733 4.07813e-08 15473.49872 70005.26537 19642.65748 70963.02588 14886.96555 14345.4063 22091.11661 11608.74047 18255.09074 14397.01277 9538.221242 10555.1099 11432.39958 13825.92694 14.52598779 5597.647625 2693.398235 6234.075402 20-HDoHE 12644.96329 17993.80761 12842.63447 31120.13907 56940.01057 9542.050818 8247.232259 1815.700136 80490.29203 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45662.48193 45554.96024 14584.58539 29887.93353 32079.65849 28697.01967 21779.63618 51167.01638 116224.8048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21083.74331 26484.0776 7730.448487 23373.52384 41231.5173 18358.6494 27246.68763 38987.55461 83238.82391 92217.10351 31102.35002 31378.87214 27555.40438 12087.14519 261.2735105 20423.3923 4.07813e-08 9392.125814 7(S),17(S)-dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid 2524.100044 1662.974259 2580.25325 4534.50515 5931.352124 5587.917484 4038.326985 1234.888073 4721.787649 801.7219358 1295.544648 1293.884203 381.3088876 4457.925061 379.3731324 2305.618293 778.5364859 2396.663344 3760.11597 5124.028327 2044.230197 7034.487757 8253.441563 13394.46231 5961.948717 19453.10402 121244.5151 635.5016035 974.0227033 3103.127317 1584.707294 5406.3669 1460.304218 496.3786409 1008.508034 1473.99858 3037.191885 4195.273549 1648.71656 3533.920369 5966.689794 6800.802302 12245.26869 17933.80473 45416.30645 4714.264729 2837.924696 5328.164694 2785.455859 945.8617076 1977.239143 3132.179935 524.2992347 3982.055534 Dimethylglycine 41657.8349 48012.97432 30345.70149 32224.66613 29035.41976 28137.79126 38623.15894 43492.20855 47240.70712 11191.22097 5971.846114 7994.957431 10896.24371 7639.177877 4820.757857 6258.857746 9183.530832 27292.39946 48730.91596 48000.64613 52237.30541 35128.70166 78271.40271 54912.93811 86246.7734 80307.49861 61492.30931 4656.081194 10526.64283 8376.807901 13084.73666 11150.95551 10934.80557 8432.003643 8482.741765 9295.904992 94033.86107 42838.48034 37519.63325 55621.54133 47428.28156 50648.73022 66976.73036 79392.84716 28516.9784 63632.29067 40610.71919 40046.80771 48428.97248 52961.73896 10371.5165 46800.51559 7714.553884 29994.78071 11Z-hexadecenoic acid 33666.07753 50082.82258 68788.85038 60119.7548 46669.65263 252426.0318 31088.94009 51309.79147 58223.80558 62245.38248 48523.06297 39549.43481 59656.12213 40260.54576 37516.32171 137581.2547 75930.64799 53149.53345 63356.60478 76160.28143 45321.41689 37060.55489 35825.12884 128340.4459 39668.90595 107340.4444 41433.73617 33855.58641 42446.4902 61735.87716 42137.77409 41271.68685 53966.73589 31629.15418 79408.90171 48190.01378 29703.95192 51932.59569 36911.04013 53785.24244 39608.16376 31398.09059 123913.0645 106902.202 40999.15663 59047.84206 64702.40303 85740.09436 31369.38026 33340.46334 27649.01104 51766.50544 78422.03862 50610.94173 Hydroxyprolyl-Lysine 198203.6521 205112.9264 119526.0244 217455.6014 120827.8868 107502.6468 196882.0188 237336.2488 130227.18 49483.77494 47727.36319 29472.86083 48902.76985 22687.5709 45710.81537 31510.80258 44766.79008 27793.46322 46671.14252 52639.71008 101631.0822 53055.67559 64636.10212 58624.32129 63606.01453 70734.1731 68046.73802 32920.68077 39050.30358 29563.57245 39223.95288 36143.05635 33964.6991 41635.99364 39457.56164 30974.73878 111580.7344 86128.33608 114837.4407 94113.01634 53714.94398 53020.26924 50492.05475 59131.1363 52787.81155 48495.15326 78893.47917 58081.33475 112805.0908 218553.0976 29066.47598 52546.08863 43622.00083 42942.88879 L-beta-aspartyl-L-leucine 720.7855347 14553.23956 261.6503233 836.5071496 827.4737834 2507.182609 1912.363347 1239.279196 8543.102881 322367.4901 282789.7911 163644.6159 319302.3921 152651.3968 174238.3854 142537.6602 193244.9121 285555.4123 278.8781011 53.20386361 583.8903247 278.0827159 4.07813e-08 4.07813e-08 365.1231533 2672.136079 639.0132163 184548.9315 188968.5515 258144.8209 179375.5456 276086.2777 178117.3123 217581.8037 111801.9717 192426.7043 1614.574569 621.0616579 131.2663003 813.2434236 73.84156869 590.6954008 4.07813e-08 2747.830585 162.5753276 410.3459498 241.9214189 439.2342252 3691.706022 12178.44314 302500.4214 2409.935498 275165.5044 2350.671184 L-Aspartic Acid 58010.62998 114530.5363 42752.65719 48570.81793 73622.40197 30281.0934 54220.94979 97530.72625 223498.5616 120559.7949 158481.5575 197048.7258 127835.8341 176727.761 139848.5887 289514.0837 201650.0843 484235.6659 19083.79989 27946.49852 40003.97205 16252.96664 20652.93802 13533.20799 24868.9327 126961.4058 34321.98898 327729.8735 213226.8986 254950.3263 216741.1725 285691.8991 157343.8416 132841.383 180268.6948 204015.7606 17667.03202 13845.65214 23911.17977 19128.73328 16293.73856 32120.14609 11540.28546 121774.0777 14743.20755 23301.2953 114088.3084 52742.62804 102415.2765 173389.0037 171032.4298 120747.4083 296666.7388 72236.71017 (R)-(+)-2-Pyrrolidone-5-carboxylic acid 46087.13023 53986.1323 42449.20984 37850.93327 48793.57901 45315.65285 40309.70631 51749.13811 60303.79202 80197.30816 71971.81143 71390.54858 83788.52607 48211.34524 66867.97496 106173.4974 156164.355 80870.56436 56550.79814 57359.38542 42838.47091 28785.86523 31303.498 70302.21768 46530.43027 121073.3591 127854.0235 107633.7143 76696.58342 141469.7756 110567.2701 114008.5966 161333.0423 102319.0059 155601.2853 105389.2815 31921.52452 34830.11509 34363.53042 41282.04429 36247.0395 44877.96843 60390.2335 191588.0076 47902.71391 117334.2531 59527.92667 50999.70271 48153.64383 43364.38127 89787.40733 48587.22377 90562.39258 50624.69531 Daidzin 4.07813e-08 236.3504981 1080.492219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17332.66177 29492.38387 35264.37434 14567.06878 51996.66222 29507.54999 19473.78926 38980.47684 48287.01219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24720.09143 45247.19968 35992.06277 46076.45463 58614.9621 37002.28853 38196.01285 31439.4165 14187.16768 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36493.53425 4.07813e-08 32446.87128 624.7850306 1alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid 1765988.143 1355093.904 1828883.333 360779.198 298370.403 1892972.922 317268.8829 2202151.675 2084549.814 1186362.105 450439.9834 13025878.09 1264416.244 15125821.26 13300854.56 5178646.443 15895669.74 11488071.0 1477478.485 587117.7568 1931210.086 709715.9407 161219.6382 28362.57098 128160.0439 58124.31163 37382.41218 6298475.501 8842942.426 1117192.7 6283918.294 2264538.909 1264685.286 8165247.973 9732047.179 2936246.26 2219995.7 377418.3298 2585795.276 590100.3218 153642.3358 436234.5714 31719.82426 60541.71986 27805.19876 2121581.695 5980278.1 2749221.761 3460426.288 1182487.842 2523524.969 3811901.157 821752.4031 1432676.692 CYCLOLEUCINE 460049.9929 292863.6184 342906.1197 295562.435 258796.5079 174621.0663 204324.1048 290763.7003 256355.6357 36181.87564 36653.40694 39666.04922 39476.34165 33075.77994 32093.1622 33822.20853 32323.59668 42846.46457 244511.8493 163919.3932 403651.5288 381581.2843 198723.3451 208248.9872 260204.7182 235339.1616 190079.2972 41581.48937 38578.38559 40205.13996 53247.13424 47880.12155 47263.77894 67546.67927 38529.10174 45040.1382 448172.8123 210570.6916 409232.3613 191646.3619 291847.8416 391098.1776 200134.1986 221006.5707 300306.948 174673.3845 122606.8994 178487.1211 271354.9956 256371.4594 39380.95436 210780.217 48605.33488 151736.3111 N-(1-Deoxy-1-fructosyl)methionine 12959.20055 37647.33511 15851.45469 37632.03635 24414.3729 17562.38507 31445.91827 35034.64569 15481.44058 178686.1026 137149.4622 270647.4584 188470.6974 256187.158 224184.5008 145806.4681 69443.05998 98784.19996 7754.793958 1029.568044 2148.539263 1946.419364 3558.459865 85.93859022 2153.4862 1436.256518 4088.210762 161479.7322 154553.4658 194339.7123 129347.9932 264344.2703 263907.8898 173738.5569 118073.9784 161169.8401 31668.20919 13189.63982 20912.202 15200.83218 7112.76436 4376.399107 4545.598374 4444.127042 2999.329048 7246.918596 11087.12388 40807.42373 51088.16847 84542.60115 166411.1678 44183.02422 135417.3323 35336.31949 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 190015.4861 172129.0501 234845.0717 191677.6877 192059.705 225672.4269 150851.3771 252112.462 232498.4146 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 535329.56 419182.6659 114731.7384 418919.3375 569113.4333 196038.4951 509346.3626 250755.3207 269338.023 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 626980.4638 4.07813e-08 531863.5523 4.07813e-08 9,10-epoxy-12-octadecenoic acid 258404.6078 237737.118 337290.966 375169.1187 221970.1866 150359.577 95812.5598 179124.2809 223810.2744 47991.37101 58791.75038 63739.77412 44243.73123 75847.29732 42189.32014 210187.9269 158980.7143 62980.00341 238392.2743 65203.77528 236824.8425 112222.4101 239192.8928 235969.7523 106234.4364 93765.81539 72828.56333 71908.96024 51288.43902 86323.84351 46380.93979 47580.63087 51994.36408 46778.86262 138815.6734 75104.48746 102012.6689 116825.7923 194197.2565 164614.7681 111369.2935 172749.1824 248497.4618 86002.79889 158391.9956 44104.09004 54177.66733 83059.54165 164136.5779 150774.2108 36675.49543 200481.4155 56893.21275 285225.0804 Indoleacetic acid 64902.59072 63621.3449 34357.59177 39339.51406 55047.09503 40102.79775 23764.14242 88888.25474 67199.52078 4496.518482 6502.666132 3571.216086 4423.860893 3735.071512 2405.949112 3768.333706 3761.609382 8706.309335 34928.44321 24807.51246 22823.37922 32670.32957 5379.030889 28351.14449 32480.76688 26389.05063 25635.49701 2799.642968 3416.948968 4524.290337 4210.449486 5728.822495 4091.689168 5030.862864 2804.263118 2295.888454 44806.35217 32078.57588 31190.62575 20241.4324 21134.98873 15719.37297 24472.11553 34720.6677 13470.67285 20806.33972 26727.08229 41093.88866 33980.89498 56999.73187 4092.5518 49284.33099 3770.463512 18782.09554 16alpha-hydroxygypsogenic acidid 1201.04644 17577.40593 1690.304477 13782.64248 3852.481928 4379.829144 11431.75776 17375.80741 4510.14825 96144.04207 61048.62899 3235.439538 97396.43736 788.8267124 65535.93533 2.855747531 83224.92581 126689.5933 7467.082817 4152.683262 11425.15063 14076.15533 6569.663443 8695.516153 13098.76253 9547.824228 11666.92969 86173.52982 105516.3545 8639.07231 90644.65947 122272.6972 43486.92976 100607.5886 24579.01587 6479.711826 24524.34112 6340.73508 3159.790916 10496.51393 11084.08958 7570.262676 6444.808167 5141.462906 9518.964202 10637.29559 8333.819928 8930.985506 15290.31807 12190.71476 143941.4235 11761.79483 116196.7033 13277.03804 15-HETE-GABA 20693.86365 7882.182705 32827.92755 43545.90832 32627.14546 33754.25415 36940.52592 61936.9694 90620.14227 4.07813e-08 4.07813e-08 2.458377093 4.07813e-08 1.142287342 89.90651595 4.07813e-08 210.5965828 0.378451763 99067.61289 177932.3095 42037.59385 36759.57931 40506.16235 78518.40526 20584.28087 18200.58608 11200.48318 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26072.59188 46982.28198 19305.67054 22028.89958 54125.06953 32539.35282 78392.66549 19664.33978 14433.78903 42324.28566 20005.31315 42926.20549 42757.67055 24807.38856 0.680962368 60926.19433 37.97832315 53342.54596 3alpha-Hydroxy-7-oxo-5beta-chol-11-en-24-oic Acid 207773.9661 318040.4772 186854.3354 99946.20351 101334.8522 179855.9578 77729.75633 185811.7406 217154.7906 71579.69469 10795.9823 205161.182 82526.49537 335371.0372 359965.2448 91017.10881 275782.6072 337205.4656 114693.1854 73244.02939 118524.5392 88024.33966 43060.03997 36032.99615 40844.80955 30456.95114 44487.83384 73106.28173 108323.7752 22643.52625 345569.3112 117097.1805 42142.38997 220161.9626 205624.4712 116499.4095 86803.6889 48711.71236 117416.7536 78576.24309 51590.90577 64168.21243 32413.27769 30954.41345 28545.19067 209876.3796 722084.2323 191691.8692 317675.1147 182900.7092 185819.7208 222975.4449 45022.56421 185834.3483 19,20-DiHDPE 4088.722932 1710.817583 4833.317563 8118.550355 3100.739608 10561.69403 11470.68335 2356.6206 2799.944958 362.6708506 816.3013589 320.8142275 415.9385074 197.891962 352.8013513 215.4640448 426.9963554 122.3181185 8674.97476 11529.89127 7037.084609 12421.47742 10190.54702 18838.67898 8839.431158 91176.19282 405724.6338 153.6392492 258.0822428 2560.539128 1096.77081 2582.598415 1143.05378 349.4581672 652.0289827 8.512036001 5288.967709 9114.604455 5011.782046 9320.940307 14896.28523 7686.441394 15973.46427 76899.03704 188194.6726 9885.254578 8336.476609 10011.95996 3215.881091 1456.732842 87.89724756 7684.672376 283.7764772 3674.532796 Tetrahydrocorticosterone 220165.7651 77564.92056 127705.7595 155897.7661 209485.0156 190759.428 51869.81223 228973.5285 161466.6653 2346.223515 881.9357167 1498.130358 1758.157553 2649.082426 2945.683025 694.9581859 3199.715706 5032.653891 97218.57675 140798.1047 155337.8858 179879.7649 152878.1117 123546.2673 76841.55522 178097.3773 111277.0 922.554777 252.5550114 705.9399344 640.3099475 1461.776398 623.6321278 796.3465622 1674.252657 1510.337542 247467.1788 183626.3972 174350.1155 188478.8848 205959.8966 106888.3437 152319.1857 114602.1444 101471.1055 121498.4375 289434.5246 81667.34589 116880.8445 92778.21292 1752.486402 76788.68358 75823.49011 105698.3883 4-(2-Aminophenyl)-2,4-dioxobutanoic acid 2786057.926 1986243.715 2032449.547 2320016.439 1820321.424 1486379.71 1682288.725 1823473.481 1344496.297 213184.7161 206200.3042 165057.3341 204611.7666 187719.9351 209011.8042 140950.4686 182273.3401 224256.7299 2810409.374 2488657.365 3143777.034 3514531.387 2616419.66 1299644.417 3368255.89 3774284.19 1759466.013 216850.2245 254443.4568 294854.557 261355.8684 446880.6936 314469.0767 285028.7067 168374.0194 182033.0138 3485561.769 2318603.558 2716132.707 1683522.764 3541200.053 3488555.467 1292150.765 3034442.301 4999078.273 976155.437 1164039.852 1579110.397 2560689.507 1839732.494 391855.4422 1349109.37 188316.9491 1419718.814 5-Hydroxyindoleacetic acid 727204.9551 526837.8539 430338.6952 500290.9553 586983.0187 306635.9579 345210.1051 475654.4596 354951.7279 63772.59728 53350.91938 36677.16136 60831.02451 46300.06259 49862.21184 35012.60457 61294.08921 46395.56858 933477.7333 610074.1171 616198.2905 849389.5478 820401.13 110761.5615 759985.0434 876274.7779 347638.6019 47346.25966 57961.96514 63338.62975 55109.85529 91012.6874 57615.64099 61287.17141 44751.93088 37955.74908 846920.3527 491497.9062 558505.1685 317641.2138 861022.9887 1033561.949 116337.9438 691715.7609 1343758.01 88430.64138 176922.7149 348421.514 711333.3782 450011.9188 76909.67133 384215.6168 49535.77124 309583.6456 3,4,5-trihydroxy-6-[3-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 4.07813e-08 251.2192711 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4327.011904 214318.7698 4908.222836 2676.063577 9949.099008 7031.855938 194775.0364 431782.6425 289.2017176 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 423360.9357 977.5161332 304813.8696 4551.468087 435999.2724 321485.0464 10520.434 420825.6969 16655.8716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17920.31462 4.07813e-08 44420.49489 4.07813e-08 8,13-dihydroxy-9,11-octadecadienoic acid 138322.5711 135181.9937 121077.7144 186718.5705 114316.0842 61908.0936 49131.21811 59631.63229 119323.523 36477.43571 19947.19983 21488.65701 37049.75658 23315.29844 38257.82297 14955.68428 14063.93238 28641.35724 128232.5074 32264.21336 93481.82065 73172.56068 115768.2977 151120.7383 54363.57339 59423.97487 35749.38461 8697.81905 19684.94009 26865.94691 21902.39079 25316.43505 14824.75334 29183.86188 14208.55293 24968.47243 59684.27094 60396.42225 88196.01244 52195.76298 60177.6432 100123.6679 157668.7537 43364.56913 148939.5931 19143.50009 20563.16177 33790.00346 78064.94211 71509.15698 20374.14478 70651.73743 19886.42708 137932.2912 2,5-Dimethylbenzaldehyde 46140.56586 47217.03822 45242.14861 46249.75597 45753.04809 37422.49265 37898.50588 41911.26808 42908.73265 28213.81973 27333.57238 25647.10232 29117.91331 27012.56839 24042.1597 34331.679 26323.66768 30145.07897 30021.52559 30498.18481 29346.77598 30392.58977 29288.92423 30048.3146 31184.30469 37236.35123 34415.35645 27431.91492 31102.57155 34654.76901 34779.27927 32551.85974 30098.79218 26492.94273 30076.26288 35195.19151 34193.3836 30718.66683 30595.11198 27347.1392 26063.25591 29621.57075 30697.9829 38305.16593 32027.06338 35990.08688 33191.81539 31566.78589 34386.64346 35125.87492 26635.0029 33709.92755 35326.87767 39786.06927 4-Pyrimidine Methanamine (hydrochloride) 5478.675389 11805.77343 4362.862314 7480.493618 5394.861729 2946.140018 7827.340505 7920.48746 12940.23759 24817.18439 31754.8222 45392.47504 33214.68789 31371.48411 29624.10323 27227.9044 30777.53632 47716.57417 4837.041568 5595.342091 4361.774045 3993.279545 4138.182567 4067.789397 4630.998646 8340.624014 5065.573168 91171.20793 32664.10538 36062.3622 52984.12527 37159.98357 44960.58971 36135.79515 43769.6679 29192.84172 5156.687547 4574.498265 3748.873972 5325.696496 3544.699502 3444.187264 2675.558513 8064.933941 5518.750953 2919.834011 6236.921889 5655.534694 8624.932327 11429.55752 34088.27251 6125.481761 84414.69658 5016.29983 ALANYL-dl-PHENYLALANINE 81961.99957 158251.9044 41467.82205 70805.94312 32335.20351 39702.13226 84574.80629 118327.0226 130753.2913 62543.95239 80340.89968 47002.91436 60435.46148 26962.07615 64937.64064 73595.30464 46639.61746 40589.69742 12249.30222 16907.51136 45286.88506 15011.98721 15305.83496 11833.80284 16963.40764 30994.04042 21212.40432 42302.29923 67912.94781 34895.93199 76445.14955 41922.50906 62864.56514 91720.47461 52856.31711 49523.00501 30886.46663 25535.1434 29590.27726 29431.32628 12932.53692 11442.42423 12260.43684 24442.89702 15723.47482 16256.27888 32256.17696 22158.88211 57586.54127 164946.5228 31581.78209 20629.031 36639.08913 22330.48626 Indolelactic acid 4.07813e-08 86.61666541 129.3402448 314.3928327 69.9093113 4.07813e-08 510.1783537 91.05682188 4.07813e-08 5054.606126 10281.84386 17860.74786 2038.98614 16488.68828 9090.189005 10924.0712 5886.291197 259.6527963 4.07813e-08 260.2373879 72.3456 4.07813e-08 62.15580659 378.9530977 86.09600145 381.5803736 4.07813e-08 7110.486718 9089.645057 15227.0522 4172.592126 6029.029454 12721.39024 10859.05089 8278.891422 9060.627214 252.4170551 62.90499394 63.5908232 116.8106577 4.07813e-08 71.2242978 52.22008147 174.4892858 4.07813e-08 88.23502379 4.07813e-08 63.06991469 261.3015966 4.07813e-08 9281.206776 87.44660547 10971.98571 887.115876 Quadrone 27012.39492 17310.08947 29870.67096 31391.91212 30778.81897 43593.30735 45394.22937 16613.57911 19073.39849 12537.27833 4847.830295 10015.85563 12734.24315 11806.89387 9299.766317 9288.57514 2894.654737 7768.687044 46033.17195 38801.28828 35808.2361 53435.11663 44404.55511 53401.23687 47456.99486 46944.21359 38419.71063 2646.423157 11370.96208 10174.55492 9885.271688 8114.270975 4841.944051 11811.42887 5982.465547 16822.05076 55103.49414 43807.73993 47832.0063 35811.50323 44243.57768 51338.10499 51597.60036 51238.84585 30048.23109 56213.21115 49260.53888 58023.37707 49643.51625 41091.25195 29053.79615 48892.2203 14061.10176 57241.11998 Soyasapogenol C 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 92133.35271 82549.36096 59564.97219 68931.10508 74168.10477 55080.89187 33695.15656 82646.31873 99741.31618 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39496.91195 49888.99573 69966.88729 51243.55985 69285.66632 42972.75761 38351.57272 41782.53931 49831.88124 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45414.18693 4.07813e-08 100381.6498 4.07813e-08 AMINOHYDROXYBUTYRIC ACID 323388.8061 326154.2313 222558.0638 255968.1294 244270.0655 219401.8189 282175.7337 440734.1396 598491.1159 158472.1334 228588.8223 252243.2543 170633.5707 163847.706 213940.1853 306687.086 416785.2984 148961.5611 153840.9736 143607.4374 191266.634 112704.2923 162556.7883 168742.056 196501.8791 154086.4554 185711.5521 822490.8042 142450.3723 296543.9217 300539.4408 397151.981 405334.1872 146970.4627 403184.9389 231928.6719 217054.5747 165588.9186 182104.3534 205142.1144 182730.6552 143245.4453 196945.385 178883.1826 110114.3043 149698.5002 200220.773 260536.4815 246984.0515 275045.3688 175724.4353 307891.6202 468531.3386 238013.3481 Trans-4-Hydroxy-L-proline 108892.4464 118524.7741 86428.66291 75519.57246 75574.30092 81295.6077 75054.54502 114496.8595 116703.9729 162715.7078 87442.52925 81018.14002 200454.2652 75093.43721 89181.62373 80469.17299 177596.0866 374897.9638 125405.2765 127048.223 71973.25495 79820.69644 74871.69592 65172.82257 101480.3523 184946.0955 119749.5544 437720.2787 198985.9736 341122.4594 235716.8332 426922.2195 300892.4155 210900.8651 111720.8784 103917.9733 353919.0706 98866.09996 116617.619 79872.65916 101356.0922 92558.18342 67572.05629 210571.0054 83713.60254 63140.68733 53275.73484 138275.4359 120023.3054 139380.0458 197844.9248 133001.284 208737.3175 126245.3761 p-Tolualdehyde 134409.1573 68833.46979 76560.6099 48497.24464 72280.1584 85555.98911 124122.0866 159437.1517 135061.0615 117554.9972 16267.34697 26691.40628 160047.9381 19276.1752 52883.5271 14628.4504 19863.4279 165273.458 259447.7686 58398.08017 300344.3197 237562.2691 111888.8058 52419.27053 129253.9658 158346.9885 102126.646 40459.16468 68143.93253 182496.9138 718686.6047 48142.94964 1501697.304 522847.9077 131376.402 176487.7541 120122.2407 95369.22911 112112.6898 127008.2468 106954.4391 80097.27477 61868.04713 166658.7749 66223.26366 51063.6296 47796.50838 95369.82124 105686.952 203284.2523 54638.08631 95188.89775 25749.39678 99302.47363 20-HETE ethanolamide 29283.81578 18855.53859 22520.51665 67397.63427 16342.34119 27318.68117 75406.80045 164111.9355 51598.10688 1483.814473 1358.871089 2443.79805 1598.350348 2152.249383 2643.646791 82.15204325 2155.840963 6396.329505 160413.4735 132998.1446 86274.01475 116216.8127 169595.4018 233888.2618 30940.1862 39013.29614 32127.11566 4629.195076 4054.135683 3585.893094 4205.578803 8672.260288 6293.347543 6885.463603 4131.802891 1775.256315 101622.6123 68194.97307 65168.94318 43376.87278 142382.3203 148927.0451 206536.2624 44378.01144 33476.7344 27680.01297 23978.93755 91198.12182 169510.6517 120642.2363 10149.49885 93357.73661 2024.644132 46922.07411 16-L1-PhytoP 187829.904 114753.2023 90925.63521 104714.0729 174777.4072 53864.21547 52070.23867 83355.81336 48995.44669 77213.01733 74403.50063 65554.84858 74026.75397 105511.2774 31706.71721 62658.53607 43867.60182 29689.63535 157389.0399 67878.92984 67967.62653 95779.48023 203726.6391 137326.5922 71131.31772 119368.1029 51732.99326 24026.63346 50814.83437 67623.576 22497.8239 64239.72107 29220.29569 26611.491 40050.0588 37597.50146 88716.78468 104596.3427 72782.67771 62727.7586 113167.9239 145087.4388 136286.5372 118770.9058 296940.7256 37241.29223 53982.47426 45114.15998 54288.97911 43318.67534 20147.23522 107726.7062 51484.89838 104585.4054 Antibiotic SB 202742 22525.70944 50878.19327 45925.7636 33754.67624 36858.25409 33269.66461 52559.99065 44591.50428 48850.88662 15464.59758 16.37151399 67091.20783 17399.3356 119887.1992 75489.63156 19734.38961 26467.00959 142994.4308 27640.76828 41175.98683 46225.23173 40049.42717 49217.04826 32320.12971 40472.26787 36910.94429 66916.87312 8120.664578 41978.82464 26580.6582 14062.24019 14930.89525 10788.9917 26689.37651 10115.65584 34052.69177 31845.25189 35724.3019 43740.95788 55348.78973 36716.70675 40584.25709 26619.70722 30083.73713 64631.81785 109265.3983 60407.36952 49846.65813 54021.40585 35272.99964 24334.44076 45463.26464 5369.420615 53019.87326 5-Hydroxytryptophan 4786.002531 10651.32045 3923.534308 5467.444565 2978.930873 2911.161202 6680.366538 6220.937788 5884.465423 42536.99608 35170.83613 39666.32894 47086.65805 34120.13016 37185.83729 33423.44182 70895.2458 64512.47759 5398.63551 3827.943683 3393.134724 3473.979188 1591.80577 1520.974969 3135.94171 3450.885618 2084.854888 63820.10322 53854.03608 47620.22921 55291.38615 48561.11909 62546.93001 63185.36395 42661.70119 39114.4179 16177.76179 3157.649951 2617.037742 2365.251213 2671.892686 2373.579259 1078.261745 4587.495646 2414.833336 2036.081534 4919.774286 3642.02129 5161.962663 10008.57121 42040.89043 4552.63841 57872.38833 4437.879658 Asparaginyl-Leucine 112608.6289 140728.917 79169.6837 123339.6235 45989.53939 74812.06301 120907.6121 160545.1156 106161.2204 45226.86426 40625.47959 24106.32463 40703.78926 18072.72121 38116.97406 28022.45419 39068.57692 22650.1138 28543.35716 28426.28818 64636.01995 23225.32574 29409.15799 25522.02225 31648.8579 48993.04762 31052.44101 25602.74096 31372.89488 20551.45353 36789.58874 28701.05299 31157.01782 42844.50984 46399.89423 23281.93854 51507.18484 46546.31626 64107.5198 51132.89859 21605.21401 23673.44816 21761.35225 40704.73352 28414.80337 28218.82182 67820.02677 35819.93321 65946.47192 139689.3685 26050.73024 32109.26828 45471.43162 28870.56928 16,17-DiHDPE 44076.9899 83532.07933 71485.09831 98606.72437 180832.7751 20336.52869 25780.49642 4446.112053 203026.1224 28.02184653 37.35067261 330.2036163 157.3120997 44.03029045 0.534668817 196.3282991 5.194521973 1156.442854 52682.89385 92686.86946 43339.00013 81827.51979 36527.39158 56910.4312 58780.98672 105583.5668 114449.3511 4.07813e-08 56.12061078 36.01758921 7.110279507 57.59984671 1.503612453 5.921878057 22.42336404 37.37508104 41672.90457 49525.99771 26709.15967 49806.07455 91638.22875 31064.41821 47716.65787 123527.593 119246.8613 220557.4398 106645.7702 85133.47704 62976.32758 15028.30621 7190.629832 102443.9928 422.1620635 13063.49301 (22E)-3beta-Hydroxy-5alpha-chola-7,22-dien-24-oic Acid 3883640.19 3158729.031 3393602.264 985956.214 760897.2442 3460011.879 1043959.149 4840027.649 4000074.055 743611.8576 431095.231 4806246.274 545974.7187 3914414.195 3661974.975 1517958.415 17595932.99 2602829.571 1297461.437 1300008.631 3227312.33 2183510.635 416650.6238 66379.43849 420858.5525 118863.9854 65548.80211 4695740.056 6298749.006 921619.5741 2472576.853 2628849.394 875928.8052 3099502.328 6206165.781 1370417.233 4161153.131 614857.783 3055666.152 1382086.936 708081.5383 754584.0938 73655.23743 103807.0837 39898.47052 3747403.573 9069268.966 3602968.652 4350508.3 2794325.049 2728726.87 4334014.668 603598.6328 1579329.334 Insignin A 15161.33007 20750.40977 42225.68746 47844.9888 31232.33681 61026.29098 26894.46955 6152.81136 144367.0127 7709.761163 5265.211538 5278.257374 6589.884188 5430.131287 4758.278883 4562.306586 4259.823293 4294.409172 242207.255 425837.7389 54234.84987 60327.20884 43612.74964 158262.9075 93402.73508 12990.15124 12357.73643 3672.104176 4703.21377 5711.647835 5230.566557 5777.181966 3704.020841 3987.658225 5913.118001 6226.851071 23804.29791 82456.79313 33105.70244 15063.91246 71606.37361 20654.34563 81475.04736 11558.72231 18120.33334 114172.7648 311322.2847 132091.6024 12188.98925 9127.077484 3890.797498 129051.3821 6849.497269 10643.04364 Serotonin 6816.373579 4274.033802 5583.228099 5569.166128 15046.53476 6326.335732 7900.198868 8772.730793 3764.898946 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23.39654417 4.07813e-08 4.07813e-08 4.07813e-08 14487.08209 14101.74524 21919.37551 17825.39657 20327.68851 11526.53358 17825.90571 14509.67221 19118.6001 217.8940108 4.07813e-08 33.61506219 4.07813e-08 4.07813e-08 4.07813e-08 137.9069406 83.63798309 4.07813e-08 16745.63581 14066.96522 20127.29766 20033.10739 14705.58225 19877.76982 13636.73686 17562.87605 10740.69332 16879.8322 4602.229267 14970.03283 13048.65699 16938.10552 4.07813e-08 16436.6173 4.07813e-08 17407.27986 Threoninyl-Isoleucine 347209.9268 418801.7926 233248.3464 352929.5609 180881.1211 190934.2001 355421.9116 400413.3898 200731.6187 40809.68067 51711.03015 38365.23816 39294.35804 27464.44537 57757.91807 47150.35128 60723.29046 43285.44598 43949.71444 40528.91422 152628.9911 53276.20034 62720.20723 57844.63862 73502.57824 70323.79024 79452.56435 30045.7467 40372.17042 38601.1302 52303.41804 45534.13057 43949.27777 54489.84343 49477.22965 38985.65885 148173.3455 126447.1299 179882.0635 147241.5898 60175.63701 51413.75561 60912.64329 58047.33998 60164.14723 55609.66276 98986.36601 71321.38278 184384.0286 461869.4703 31439.91167 57067.50475 47142.49312 43703.92903 3,4-Dihydroxyphenylvaleric acid 1609.777781 1334.889135 1251.673 1356.195479 1485.101494 1294.028925 1332.014092 730.2568132 888.9817802 1020.915984 3068.247315 759.3426175 564.9592241 1111.297615 505.081912 2489.347338 4047.682477 1494.387306 1366.716412 1765.489367 1410.215812 1695.927167 1358.212278 1549.177571 1836.287365 1989.245877 1518.94218 2079.74542 995.1372899 10404.63026 840.2231094 3510.161767 2746.388209 651.2257037 4361.791534 2368.732283 999.9606602 1184.234409 1178.757943 1622.25354 1504.449365 1735.740968 1633.842459 1539.589208 1992.635931 1849.522001 1420.61665 1407.154238 1189.544444 876.1945411 1082.757028 1300.510377 2655.631821 1608.910127 1alpha-hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid 766862.0719 1006933.864 418644.1927 194925.2675 226598.9784 544597.0118 206544.6302 692133.3892 1362152.765 657467.1726 111766.7742 1948679.669 519352.8764 4740179.853 2572098.611 674058.0618 1324467.867 10732572.57 223985.3324 144304.1991 217510.7499 212295.5628 106946.5928 73993.21271 90300.23387 64380.1873 74707.71391 325956.4356 700517.3629 86194.20401 715212.3521 683797.324 170728.5146 390826.1827 384460.1051 405852.982 162135.8507 107910.9146 154598.0602 200560.0343 108790.172 132861.8515 67417.07715 61500.27119 64494.95675 354506.0235 1828147.181 555540.0678 1580762.759 726550.6791 1539853.609 694532.4366 114276.8178 767148.4224 N-Acetyl-a-neuraminic acid 76004.1126 391518.0902 85390.84875 145107.1566 123091.647 98661.08123 266359.5038 205511.8003 129832.8945 164260.2149 117254.5732 108180.5046 179389.387 125508.3529 119665.977 97056.39838 119105.4934 87104.21691 82694.93201 72153.17208 102783.771 91120.16109 86079.11779 58347.33961 155319.5913 76887.88716 72122.06072 158335.8087 131780.6002 158948.5704 106453.9245 218074.1475 180726.5694 186145.6266 87340.46342 107603.7328 267180.3371 115559.6276 192969.6863 96702.47635 144274.8033 182505.2136 54533.2707 109458.7422 90743.42487 285909.1427 133322.1219 129669.6558 546432.7744 329639.1179 182386.6045 299028.5361 125780.7655 277584.6121 N-Acetyl-L-glutamic acid 41550.63101 81522.38493 60795.24357 42500.95366 91029.87816 62613.84749 49563.31523 79408.91632 81836.6083 20739.05719 22385.99703 28420.70582 19048.12256 39483.40736 21756.87665 16877.75844 21030.19051 26996.53295 70968.67282 99253.36232 67769.83435 52637.49372 51850.37845 79624.43038 58943.46958 292418.7687 214558.9105 35980.47507 55080.24399 46612.18833 92174.80515 82245.08019 35227.83932 25407.42994 69628.49602 72169.67381 24982.08961 53496.75199 50531.24471 57588.74491 62297.90795 64964.61754 64020.57171 323680.675 83991.95188 63211.2517 77743.92846 56544.36553 76452.22655 54585.36726 53755.49644 65506.70007 62605.42837 66536.85843 9,10-epoxy-13-hydroxy-11-octadecenoic acid 37011.60611 36182.91766 40186.24528 40886.05751 49898.90072 30822.5649 28942.78911 29552.41122 35779.52738 31039.19883 25995.64389 20005.85733 28396.75211 21565.81753 25204.99126 23570.69215 20657.24366 27272.18151 31120.20878 41409.75911 29034.01971 36953.54123 35162.63788 32846.07916 32344.84758 67700.13976 42497.30473 16103.13748 21320.36935 30013.30692 25655.60846 21542.06148 22421.2295 26479.93679 24848.84078 24568.35409 29287.83567 30349.10867 28333.56014 23273.51397 33270.63305 44933.38543 34804.53347 47569.0847 76918.79863 26195.31196 24233.05233 22970.98749 28065.52378 26954.85536 24479.87694 31615.47338 32598.82843 28374.37335 Thornasterol A 4564.840406 17870.94455 33398.65548 17503.625 13826.44105 29393.37558 47177.39115 7504.925838 11189.06637 17184.88091 3833.967943 66764.24745 13965.28018 18416.83291 77591.95972 24702.56088 15660.88424 24931.43871 36616.22329 12506.16202 34639.864 29729.39669 28112.86801 22975.88678 21289.28942 27026.1207 9476.581402 2271.006516 33140.46253 22777.8158 69133.77212 5853.560076 11292.76946 120256.8345 4335.237208 13306.29225 28646.26121 32226.31446 55123.92043 19531.29676 36476.00801 21176.96177 16699.86903 20134.41924 4941.640186 23727.74886 47333.79631 65069.7968 23211.59493 12512.12456 18629.58773 78167.12481 33243.14832 5378.027905 L-beta-aspartyl-L-phenylalanine 425.0475437 5130.406958 414.0010618 389.0313065 903.1506927 1739.853224 1447.008579 1199.300793 3075.886513 131785.7413 108462.0749 63152.91845 122787.578 65392.42271 71836.64059 56780.45738 92243.26049 109152.3308 336.6134862 4.07813e-08 502.7301033 185.018669 155.1678342 645.8823557 430.2252105 1809.625979 231.9152158 70623.86071 70970.3653 103407.704 63570.02636 107262.5033 63888.14945 87509.61266 52162.08651 81052.28464 236.3388804 500.4465282 80.87408917 157.2894109 261.231372 748.5255275 3.087930911 1136.490044 481.1986182 617.0350144 452.2487573 712.8329067 2308.139951 5567.056614 104194.0148 1521.464033 100084.0513 975.2028975 Wogonin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 69778.3329 160345.694 55206.56074 20602.24668 71887.01376 65313.41011 267248.6745 2765.508175 46847.6567 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22965.54383 272172.4679 44194.37866 99261.7665 23644.28499 1383.981467 4.07813e-08 119917.2989 208.8408185 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17581.00826 4.07813e-08 267142.8797 4.07813e-08 Carbacyclin 150224.3521 25278.74228 58094.08476 65454.60938 60025.0264 147859.399 36205.32571 93227.77208 69056.1778 361.4183649 561.648055 237.6363033 272.2635414 581.6898804 478.2528625 54.24521238 325.1583724 74.60072146 82915.05527 44909.22577 48882.47628 55105.655 59371.98706 101907.3395 41200.50178 61808.93111 76280.7696 63.3322709 411.9118948 276.9475403 200.8416641 899.3415499 340.6331644 550.0264358 286.2481096 360.869714 186132.2456 54295.07179 63851.58378 72133.61464 72330.05681 38676.84262 111169.0268 38228.12093 31855.462 53938.46004 105238.3183 39036.94456 39222.00197 31889.94063 362.3529764 34887.42323 4567.457076 185011.8916 3alpha,12beta-Dihydroxy-5beta-chol-6-en-24-oic Acid 4584453.209 8097225.034 10613936.79 3452076.105 2937402.478 9774294.434 3881840.472 18034138.24 17453012.25 251226.896 95835.03159 1027780.904 275177.3946 1465741.217 1376423.002 493397.796 1241877.673 1968685.442 26869186.74 15470683.3 20608152.64 8977418.728 7450740.57 1442341.497 3110199.711 1221222.959 1104657.896 431154.8681 842964.3427 211552.1529 556020.1971 216006.8076 141317.3609 790130.5803 676880.5497 440092.9968 12520828.24 8986301.835 22481286.91 17089043.66 5518766.21 8125889.343 1424818.398 1176967.941 690381.735 43271352.9 31101132.1 16023931.45 15753326.98 7535649.325 2030975.939 21946101.1 541233.68 8144725.494 Tetradecan-7,9-diynoic acid 43590.71884 43612.81894 73782.17863 56152.56675 61200.8025 109409.4399 86100.39913 73905.99472 73354.46632 11275.53406 11278.45309 8769.126749 11425.53595 9526.868001 7697.9425 12779.91805 9643.284641 11449.54404 59459.11964 109693.2977 85225.0893 81475.09092 86538.7381 113173.6058 71110.08369 44821.6171 25281.62888 10008.74622 10468.20088 12962.82381 11465.03431 12489.32428 11508.47589 9703.9772 11458.76126 14412.96865 54231.63233 59544.92199 60593.7553 68063.38955 105356.6848 49367.91979 95589.73066 46272.7279 21574.15823 159665.6949 96459.82253 129430.4172 63616.30234 58520.14438 33454.0767 87646.72508 17133.11784 66795.96512 Isovitexin 2''-O-(6'''-feruloyl)glucoside 4.07813e-08 4794.967361 4.07813e-08 1184.320571 4.07813e-08 4.07813e-08 567.0552503 3329.123447 571.8467971 76279.03523 97819.72803 70304.35151 56431.51632 109237.9039 66288.5989 86766.00581 37168.14925 93871.95532 4.07813e-08 4.07813e-08 4.07813e-08 2514.555551 4.07813e-08 4.07813e-08 2986.156309 462.9011675 4.07813e-08 34015.35217 20807.39432 84279.37553 26149.97487 25781.6742 44256.48612 8000.663587 52696.83109 71614.22014 13505.34212 4.07813e-08 4.07813e-08 4.07813e-08 1.098265611 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1175.144731 4404.974649 2592.97068 550.576358 38981.67266 4.07813e-08 3-Deoxyguanosine 42576.15617 141317.431 57721.01509 40721.12575 48008.77943 35102.87709 27068.37258 130038.6045 136761.0063 7825.880465 5241.026961 143563.0463 7102.618564 12458.26456 28614.30284 12256.58529 29296.43676 14830.61523 165639.6648 74685.03158 59825.46627 43497.66155 34885.67592 109192.1865 36578.23873 22065.88513 30583.5709 11958.45144 17431.52976 6951.258347 31779.46362 8570.474861 4700.552714 5267.961471 37315.68988 14617.12101 58983.53413 52345.4069 47687.51148 77341.74082 61391.21845 40954.95785 145858.2982 33977.06879 19019.77828 188428.0946 115559.3695 215477.1231 154261.1801 227186.6488 9825.923453 141851.323 42294.86311 32197.03077 L-Alloisoleucine 3953009.654 4679909.068 2544402.193 2610826.007 2126409.752 1982551.814 3723698.507 6360919.106 8997066.125 3144819.367 3123707.932 5082650.563 3488866.674 3003331.739 3370898.052 3156315.062 3619734.017 5362408.589 1389850.117 1382422.391 1880051.509 659756.0817 1229436.497 1412631.049 2841390.08 1971565.914 1384647.896 8208054.322 3998676.073 4104609.997 6554804.743 3724040.561 4558339.309 3813518.92 4258257.531 3238174.068 3512800.379 1430274.95 1562184.971 2046134.098 1442046.627 1102980.443 1980798.236 2349748.111 1052176.25 2910675.518 3539892.462 3498851.662 3226557.086 4147934.796 2891363.693 4126254.026 7818078.601 2858035.621 15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid 4177909.421 5196466.926 12552488.81 7918913.66 10357006.86 24346442.15 16006963.33 15358508.29 14199232.16 131972.5941 54314.252 343581.1093 118841.0129 333685.3004 409784.9856 219636.633 530077.4435 410064.9157 10688250.76 25576264.67 18285980.15 17447507.4 17875003.29 25742546.78 15707395.59 7101573.027 2024580.03 216336.2443 278378.5138 91369.48382 232188.7774 133225.0152 80726.70185 368707.9823 323661.6315 264762.4722 9552167.724 9720783.181 10632227.09 14171505.69 24676764.53 9080187.828 20697744.69 6755375.567 824625.5704 39027782.8 22313313.31 29527764.89 11943258.22 11309909.61 6856098.808 18593815.98 1371443.199 12826834.41 4E,6E,10Z-Hexadecatrien-1-ol 4099.032829 5093.8064 7767.964603 5414.199068 4906.158218 41484.13085 3584.530038 5279.02982 6559.154939 8285.237596 6707.748714 5727.625126 7012.800482 5672.068379 5674.787282 23848.5768 12657.08768 7550.697638 8098.8954 7986.304237 5168.96282 4265.486992 4614.981707 18050.25117 5016.956842 15342.75187 5292.256412 4486.796088 5366.321896 9135.591176 6583.761034 5497.883485 7585.119589 5240.842277 12417.32988 7532.117071 3613.206766 5591.55266 4165.649617 6119.49866 4588.271298 3726.732827 15658.76113 16028.22312 5002.482997 6198.665285 7664.415097 11894.29867 3896.45144 3536.065261 3885.093918 6408.106311 9757.225926 6033.036567 Hydroxyprolyl-Tyrosine 35648.12298 78628.0953 25499.70839 35283.97068 17491.76293 18486.44682 46481.93101 68482.5147 55878.63401 16507.62677 16541.30168 20733.01342 14523.2396 10830.78811 16233.85862 19871.57038 13206.6725 10998.79615 5504.810692 7906.219346 16234.60708 5131.501999 5738.636085 6896.63465 6889.030717 10995.05316 8561.018911 12094.01934 12995.95531 11264.49586 16147.69034 9185.767357 12592.89585 17161.01101 16809.83828 13393.50807 12345.96118 13019.4017 13825.2273 11572.83385 5494.617564 7116.012389 5647.841697 9617.276893 6743.406714 7495.25273 25821.08742 13501.26427 32975.57496 63138.36201 9642.877442 15645.67897 15966.8842 12064.28149 (-)-Stercobilin 9495381.12 5896496.041 7785454.601 9891344.454 10485077.63 8013522.876 9999331.443 9231764.55 3550981.895 4616.90207 21405.57214 28545.52755 3057.171886 75643.90338 31416.3633 123861.2616 1273961.549 5770.992809 6276519.753 8053902.036 6388878.45 10231702.88 9568069.576 10337083.44 7662052.016 7352532.428 7047760.324 1071405.861 10759.66401 12614.29726 18521.28176 12870.0454 18742.77927 13207.57526 695458.0953 17573.42819 5436678.888 7652374.081 5439027.581 7927216.48 9318495.62 7505520.469 8224741.613 6521384.586 7587012.866 13332145.43 4299675.598 5442590.435 5432047.512 3478226.827 120790.3517 5164180.393 75835.36577 9551740.584 17-hydroxy stearic acid 1081856.275 1185500.568 922593.0342 959408.2136 936932.3715 707180.5594 862799.3784 965874.1117 981395.8447 460040.8548 424660.576 281701.0783 373405.377 499701.1058 508590.7331 533468.6008 415820.0833 466678.217 701191.1478 687304.6337 592047.3172 561593.4973 566104.4447 584183.5433 727264.0189 828250.8669 779522.3236 492059.9405 485840.553 435553.8135 434202.6793 650059.3043 565457.2706 547481.0653 236011.312 570634.8066 818300.2963 797924.0589 596153.889 575111.749 492387.2899 628202.2601 637515.1327 819310.4103 677460.2718 713375.9341 722909.3842 520311.0475 744993.3505 806609.0732 516281.197 704647.7872 529513.6814 899554.9258 Avenoleic acid 648191.7867 791614.9485 870970.3209 684115.5856 661743.8636 549882.3669 483646.6605 625833.5486 713197.6245 1083011.38 1005825.148 620924.1607 909151.2188 698138.2335 527279.5451 1367722.577 620954.816 650724.8586 631003.6939 689220.7917 487030.1901 501223.643 387465.2703 487394.8464 495717.7205 1085748.031 528185.7493 533655.998 763849.7138 2017420.296 658153.8648 1187635.829 971316.6325 495325.2339 888670.3981 605198.1125 479585.8641 457709.0541 489033.8058 365488.9106 472724.6738 432750.0892 531188.257 954304.5665 812426.4162 544268.3734 621032.9645 528597.3653 500817.6676 582496.6718 639261.7112 612517.4337 2241305.908 611821.6731 1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 65738.46153 78045.09243 69806.17619 142761.8239 272146.4491 58005.26228 47173.34637 15458.47293 378290.1084 725.2196167 118.6447681 497.6987151 233.1731189 62.32239958 235.1663816 46.61923183 74.73965948 1342.049734 214090.2254 209394.7106 81183.75149 149971.5343 156623.7727 145911.4821 111709.258 302796.188 644788.2004 122.2826796 16.05430234 103.8904849 17.34993145 149.3599403 0.178389886 214.7350138 118.6639784 168.5468017 104960.7828 129996.0826 44839.24123 116822.8328 199784.5949 100417.5818 139156.6656 250740.1685 480187.4996 417722.5082 149108.0244 158602.335 131248.2213 62537.35848 3407.402091 121578.0901 357.8189881 47339.75249 1-O-(2-methoxy-4-hexadecenyl)-sn-glycerol 189352.0214 213208.0684 168046.5531 165627.9921 163796.2356 122290.9367 157699.8702 183146.6011 166047.7564 77327.67363 70820.04392 54167.27056 62075.62801 80478.54901 91638.81608 88530.18809 80770.92743 84678.49555 122010.5553 127211.6208 110827.4701 105468.3978 106638.3125 103323.1648 128161.4331 147704.837 136449.4484 90242.12895 86423.2867 77909.65756 82367.23086 122267.207 101513.5725 101912.2694 49633.2906 93253.9404 144514.2635 141998.1305 105970.0153 97822.96048 95653.93204 115383.0668 112848.0122 143595.0632 120964.5736 123503.7868 130461.5306 108016.3188 136974.7704 148494.42 88771.4049 124505.3504 90596.70486 165339.7658 5'-Deoxyadenosine 403317.1494 108818.5105 290076.9168 74851.3021 78703.30518 84943.69291 80583.38814 128157.2589 139500.3143 5617.745507 6855.956642 28098.19526 5235.618533 7309.710991 2051.735287 4218.581361 3028.879328 8586.918541 203086.2746 152376.9883 135409.0476 162583.9618 52520.29947 72964.26523 75442.40118 261983.6094 476584.8371 2374.635011 5882.610059 5869.103612 5657.72855 12481.26425 5014.268793 5216.075098 3626.864225 5109.976526 199967.1076 85576.35962 134699.8265 67153.82957 174427.3079 141904.5621 86918.29444 332631.8324 155204.5418 220834.1898 191052.0429 125387.7243 73832.40835 37741.06904 8340.080128 55325.34661 21243.82893 92287.91727 4-Pyridoxic acid 143195.1908 155084.1345 130596.8012 130429.2213 131121.4081 117648.7818 110316.0558 111790.0705 100069.1167 49117.17024 60493.1038 31852.54419 56433.00205 33557.21163 30175.19162 21909.15953 21611.11644 39561.02514 196649.5063 200247.6045 190030.6759 201699.7577 152654.7966 170781.6967 139184.2331 168543.1711 208530.0762 28734.99174 42060.45202 51652.42331 36979.47229 59152.58293 45264.56515 65991.59285 30768.22833 53500.81341 163754.8149 151181.6859 131931.6463 160337.5686 175767.2191 153861.5705 153477.4878 173022.8847 189509.6982 161842.0206 115030.1524 133229.6735 115816.3976 187814.7693 62584.12114 166446.9533 40517.66371 140196.0577 3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid 4103299.201 8812516.267 1750465.841 788676.8375 1514869.962 2851982.93 1797023.457 5072240.702 5971437.789 17182230.67 5866445.743 48005987.99 17228743.49 66623465.83 60733961.36 34068607.52 82007472.06 61249132.23 216492.2133 267272.8117 619950.9166 378605.0125 259502.247 238703.3726 307077.5205 213937.2874 226330.698 27899593.28 28065322.09 8180862.031 28306835.81 15023150.15 10457506.6 23695393.77 45472160.42 14521614.47 310272.0509 216874.5933 243563.1115 240076.3337 208484.9736 193533.5013 234845.6409 216842.8831 150481.942 411455.9633 13446058.96 5052763.442 16217310.45 5856215.642 22971440.04 5995641.099 10563818.65 8267833.546 Uracil 320301.8537 213831.9865 352413.7582 325088.5076 331241.7896 289356.0082 270439.7735 415935.4264 421571.3726 31687.26641 29150.61189 43624.34415 32957.01875 40388.41167 29279.54141 37050.63513 58540.05053 49892.854 358194.4835 263270.1122 435434.6753 221355.6603 377520.2724 269953.2118 255016.5172 193574.631 367633.0004 43309.88492 34840.89608 47019.47756 43899.90112 62819.21973 27467.53197 23641.51028 51782.36925 41600.61952 195895.1363 237463.5635 298097.555 366274.8981 387394.6674 281789.8578 293150.1307 251014.2142 192985.1952 417450.9071 242302.2747 323327.3659 255068.1029 243628.1748 37842.05129 338068.5021 47887.47452 326075.115 2-Methoxyacetaminophen glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32.1909099 791.1548533 4.07813e-08 86.03489637 4.07813e-08 43.99356542 712.2077008 2551.604732 353.8958443 4.07813e-08 4.07813e-08 83.30566021 4.07813e-08 4.07813e-08 18.51338737 4.07813e-08 4.07813e-08 4.07813e-08 2889.053508 22.26132861 126.4358934 4.07813e-08 900.7643399 408.3854891 27.37612217 1576.918927 49.84488197 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 99.84888154 4.07813e-08 4.07813e-08 4.07813e-08 108.3849582 4.07813e-08 68.4485398 4.07813e-08 60550.26219 4.07813e-08 Netilmicin 4.07813e-08 272.5737601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 261.6753024 219.5543343 1402.66375 4250.384232 20260.51319 1230.627411 23479.06802 16692.71833 18136.79223 40666.99568 2279.321833 961.2105843 323.966316 683.373563 4.07813e-08 945.6699075 463.7483402 218.0851574 720.5756131 430.4917196 68056.27097 9490.506988 2918.602459 3530.314315 9189.467505 8958.307289 6792.755261 33812.03299 4007.840131 256.5428227 1173.66534 4.07813e-08 605.2494068 568.4544779 357.6330099 653.2066915 613.2921216 4.07813e-08 371.1299811 398.5866247 358.1795137 801.40239 4.07813e-08 3908.291198 210.8073323 3422.403686 833.7559445 16-J1-PhytoP 40527.10229 34185.93048 33030.49826 21406.4296 25364.31931 34334.1367 30785.58824 42968.54398 40698.21131 9557.988591 8827.597726 6303.122737 9237.401302 6052.434421 6242.328687 8063.008156 6819.398518 8360.062441 60659.99311 51915.46723 28402.87694 32879.74122 47638.30267 77943.74808 29964.36679 49498.54993 70050.01926 5756.479214 7024.355044 8010.26358 6539.165998 7381.339568 8049.496355 4511.676712 6201.098012 7017.699003 16414.3748 53253.32289 27146.04331 34286.08334 32552.3522 23556.39949 58601.87396 56231.48638 82972.30284 47251.43781 37027.98096 34747.7302 23942.71006 15660.79885 7115.014672 36965.24823 9363.969066 39074.4245 2E,6Z,8Z,12E-hexadecatetraenoic acid 50730.95793 49485.36526 50668.54578 51574.34248 47647.73451 43381.61743 44614.22374 45056.09118 45041.88672 33444.23299 39550.63377 30463.28289 32136.28869 39656.79836 29908.20602 49578.56855 31452.21465 40405.65919 33062.8202 36824.80682 34197.10578 32006.0374 32386.6367 35890.28827 35220.89837 42766.34171 40001.48955 30774.3822 34841.60379 43173.42936 36512.9606 35089.86968 33554.59304 27923.23199 34358.39947 41067.66429 39401.13726 34669.56306 36079.9668 31022.59666 30404.34257 32244.05569 34655.62116 43150.9231 36080.7745 39508.77423 38475.70611 35749.66268 38515.66455 37921.0131 27413.31945 38522.24796 43956.38261 44562.01952 Farnesyl acetone 11432.9447 24375.29436 122749.2798 26010.09279 20347.14261 12242.57286 3908.257413 16680.26991 20716.75999 307709.7707 335872.3276 125683.6175 310622.2647 157431.4896 79313.66695 576506.6979 282007.6293 118328.5147 40889.21337 47935.9273 24658.76517 15305.32737 6323.435317 18618.27221 5842.378415 197891.9247 8025.549966 60608.23886 115008.7462 380936.9799 60120.42923 174292.5158 248129.8057 37052.23091 388026.7317 103620.5602 4466.67744 15230.52579 19240.62104 9454.038095 9001.545722 2957.563914 11610.63523 169778.6795 35659.03313 10607.62194 50559.66067 80489.73804 5962.273959 29937.81265 44275.322 56521.97675 228861.4509 12717.03343 Acetylcarnitine 10402.83869 10665.48832 10737.00866 12291.59527 12198.59854 8791.942648 16837.68973 12104.04898 8432.874647 2339.84906 2318.054709 2287.710421 2114.52277 2159.785411 2035.417646 2082.604868 1676.908599 1637.074533 10691.62238 21035.8262 7059.011262 9245.025335 24057.84387 32170.36459 20506.21523 10088.68484 17895.58036 3014.233203 2358.447233 2384.788643 2239.331161 2536.21282 2870.045762 2155.449674 2398.62895 2162.730107 12331.43611 11822.92085 7992.826953 8497.261791 9746.044371 16746.50761 29787.92589 9917.235385 12768.08795 17841.58376 15158.55758 11713.42728 7429.612616 8908.253382 2726.126794 10901.02199 2479.025451 22026.15884 D-Sorbitol 31776.80405 32670.95525 37619.01348 43891.8552 29219.91916 24546.2336 21028.07106 33674.7634 26631.15576 144605.8462 122453.7138 330509.3747 130123.4986 634418.1664 259979.5399 145416.1005 299978.3385 80462.74335 19128.10111 18355.98807 19855.9952 17206.39429 21825.07619 21072.51695 25179.46502 34040.13236 33789.31657 436085.9537 385365.0007 234642.0413 275046.3865 144780.5157 148950.6992 129735.0947 881827.8329 283529.1387 13083.66008 15858.91369 19021.58843 19277.70344 26948.46548 28827.8514 24626.02485 31581.60911 28304.74173 24289.61061 11745.3326 13174.57801 28532.03754 36447.63107 297689.4471 20072.0454 196501.5621 95032.66757 N6-Acetyl-LL-2,6-diaminoheptanedioate 2219.361359 9925.525211 1921.020215 2225.78596 1587.239935 4347.921201 2943.243481 3498.261025 9564.179089 40026.09502 35950.23414 20001.83051 41909.58773 20835.78245 23939.31906 18731.93302 28184.15567 38102.57099 981.289379 1508.863693 894.3169347 695.2572596 1611.609388 782.2078509 815.090469 1915.277334 1517.904144 25710.798 27974.60377 36708.02879 26970.96048 43315.0364 31277.36866 32358.95736 15940.32718 24124.12923 1224.495485 738.0533646 1761.355988 1021.955192 678.7299803 1884.176944 462.9664053 1701.551634 4.07813e-08 1282.343017 1217.050863 1587.569393 2837.354573 7395.528822 46190.2865 2559.246286 36784.01149 1683.681314 3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid 42738.30559 59483.47429 175590.9244 36480.33216 63651.82183 181479.7517 44922.51834 50630.8309 63333.17898 2432.188292 2115.737459 2898.893311 2576.512555 4701.985218 5015.219556 1715.054741 5120.394233 3447.785533 390075.758 146056.1687 557360.615 364600.831 475513.9792 732521.8091 322704.558 117717.3579 335274.0749 1679.93065 1296.747753 2820.774432 2643.428693 2984.200498 1469.076651 4313.149996 1207.031686 1982.812637 86187.88048 148504.0747 292395.5457 501007.3398 176291.4346 606287.7713 578521.8518 118432.2218 1243356.269 908584.8899 313495.3798 131752.6574 59100.59637 49133.53891 3599.108489 158148.7018 4842.962018 97776.33232 (9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid 40293.4185 56014.54193 81867.59877 73774.35886 185173.5335 67634.3012 37731.54084 35701.54445 44906.8773 78944.57427 64634.95213 34978.52841 66750.48395 36769.73504 55013.54921 51872.70717 41185.66006 40268.08104 52749.18691 53963.40479 42725.77434 52011.96169 48375.21816 48340.28675 46894.52245 71685.67986 45880.8111 30009.27833 40639.55297 49019.69926 45767.02344 40562.91531 49277.97553 38041.57723 45844.36169 39406.88009 47075.74332 41418.08345 39047.57287 34003.12507 46896.98253 50866.33652 49994.50345 60787.26321 67070.27099 37721.2307 38544.76142 35706.85674 32861.60927 36518.60972 38994.90634 44831.55536 71235.26465 39151.24762 Ethylenediamine-N,N'-di-a-butyric acid 257944.9485 429759.4172 141569.2681 222799.46 95344.40263 123948.278 348549.1457 385806.9138 362873.4164 16451.4969 16379.92098 21224.72588 18588.26801 11786.46553 28895.64715 19289.1286 20150.3542 13833.00486 31277.81812 26541.31458 88770.4223 24126.55923 35630.10807 28042.92304 39978.57501 36493.68917 43673.95839 20733.93106 16663.51756 18280.36834 26558.40429 20875.27338 21089.41717 37041.16188 19970.49522 24416.03979 71838.59302 89271.35969 91902.75531 70777.99794 33871.93789 34555.8175 29304.58986 38659.98625 36205.49875 26718.1141 87149.07222 52213.76464 155821.4629 205220.1631 27596.08215 56786.51805 27491.69297 52354.22858 Procaine 52632.01978 38047.99149 22925.55058 29627.38487 20965.83772 18168.81942 26141.20378 70876.51681 67870.2323 2.527691229 4.07813e-08 365.0473 124.8197801 13.56468218 76.45266566 4.07813e-08 618.5283511 335.059545 13159.00216 15460.21808 7978.287145 20579.77503 15811.96134 14109.80542 40059.7163 16189.94866 16904.0962 269.2458913 39.35674233 268.5403293 44.02353355 577.7268725 207.2807752 194.0074034 4.07813e-08 111.0106455 111105.4723 12033.99719 18939.74262 10900.18292 12286.04731 20695.23198 12530.73993 15494.08907 18592.3779 10392.37828 11567.46086 22671.17883 23709.00663 34116.23402 770.1687278 19763.85283 150.9857345 13093.04642 N1,N10-Dicoumaroylspermidine 2606.097881 11693.48022 508.4017959 1688.164207 706.9049671 1750.903923 4086.684765 7021.232662 5302.335783 54552.40873 69116.7818 47159.68167 39167.67891 62785.8302 26177.90973 79105.01105 53320.36083 91249.9862 1017.266479 989.6527612 1308.23921 985.9793658 1261.042248 1162.303125 896.8258724 1429.254614 3105.893974 11735.54645 70133.16638 65517.57797 29289.3273 38079.87652 27979.85672 18290.87379 109342.9142 29836.62523 1943.246026 647.9057931 2724.454436 598.4422801 1860.55857 1610.606585 821.6927713 2027.374454 2231.806774 768.8661227 318.6405743 954.4447132 1678.373225 4650.317291 27909.46217 1531.382643 21687.9096 581.9479803 Ursodeoxycholic acid 75138.64733 128247.9088 232752.4671 160235.411 257883.9747 603008.7798 323777.4502 297304.5797 338614.6083 140460.0836 47111.05688 358372.0172 137755.1304 520508.4016 468595.7081 282354.9863 671308.1259 490704.5827 286441.8928 645653.4883 404053.5 357582.1124 377621.7536 645540.8437 329941.3715 126893.8154 42396.79773 226283.0758 221217.83 65026.48958 226779.9815 122000.9282 84683.25999 190565.1689 368726.1732 117018.4596 186140.9839 178065.3923 225564.7265 295250.2292 543317.5484 192703.8294 528972.6167 125387.2268 16461.20788 947393.4098 476683.8845 679394.1989 303852.0288 201019.5586 189485.8872 454187.8266 84315.38835 272101.5751 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose 45034.85756 117852.7862 66132.86117 65126.24064 54370.15318 64186.48172 71085.24659 70663.80197 55867.1726 1814681.266 1426386.74 1262353.299 1768399.682 1004601.367 1826550.107 890573.462 967285.9272 901506.1355 64074.85997 47957.53992 58355.08984 50763.06025 27449.38852 35479.02371 49711.93795 94585.76341 40858.38734 2094458.437 1618647.065 1459333.334 1571057.227 2379870.887 1439571.165 2203672.878 1021934.144 1193178.915 79623.81294 49610.68891 78865.60457 54807.92116 58414.69422 45103.76973 32175.47701 80121.11287 35165.29276 41886.3351 45975.04071 101470.1877 130106.2645 144827.1913 2280458.044 106730.7588 1915052.919 198295.1885 1,8-Diazacyclotetradecane-2,9-dione 53640.70751 100980.517 102206.5571 58277.20298 45952.10635 41367.63254 75296.34572 79886.41408 39953.45735 60772.90408 29926.83196 57406.95497 70267.02585 33321.69224 55946.64565 84826.43389 63780.87797 73889.77252 51076.67738 24714.33535 30011.68385 60481.91839 33867.18176 21331.30667 23040.64357 33371.56598 48364.54592 24164.73433 36678.60472 38646.41115 37478.83475 75047.93807 30189.63287 26040.04338 70695.1155 45383.04588 36054.76665 49977.46084 56083.48663 31766.18557 37798.27618 41247.67998 25246.11767 31992.743 39237.77508 31766.82587 32733.69615 48493.61338 29626.78064 59058.44069 31231.16356 53268.41163 44061.16036 82865.66696 Oxindole 70083.40161 49027.06544 63972.30683 28223.10037 46555.07941 92541.3027 128743.0463 56727.64585 154893.9975 1674.233916 2192.450184 1796.071071 1604.387814 2215.059054 2104.152514 2823.635925 1782.864348 2409.183603 52400.55296 53946.26967 84185.8031 45934.51139 118786.0252 164535.5609 72668.43076 15847.40847 123597.1314 1456.383752 2108.253529 2592.627099 2476.326374 2713.879836 2443.071483 1765.606684 2732.517884 1497.844041 15060.04873 52688.10388 78044.78531 114404.8764 53561.10603 45131.69569 205275.0054 18771.45674 19905.81061 127115.0209 96961.51103 140967.2739 41076.97739 56020.14339 1905.37922 52024.73155 2842.2918 36976.76826 L-Carnitine 106973.0422 200902.9872 121373.1416 295699.8681 159306.945 115384.261 198374.8533 211257.0976 113422.3077 274307.9813 294636.6037 291147.0992 265910.3783 651555.8437 645353.7039 690598.5712 531138.9718 490925.1965 125816.3886 94800.75124 88621.07479 93109.97327 117350.6317 128076.261 110015.5193 104959.9001 134687.7037 300237.3899 323999.9927 598982.3923 337077.3046 466500.7228 365260.6955 461699.9053 266657.349 434723.8642 131510.5185 76838.60386 75110.37627 85409.90648 110789.3569 111786.6511 120203.9234 97405.53991 105152.1309 466026.1034 199461.6664 95770.50317 127865.8708 175941.9645 416389.3362 126737.6215 367807.6134 223004.6348 N-Alpha-acetyllysine 209172.2757 280560.5529 190656.3044 196095.9402 226209.0818 221346.7944 233771.3486 331975.1501 356131.9772 164902.6223 157882.2581 203033.344 166521.855 220505.9807 135858.633 144229.3748 143165.5571 195879.4018 244465.0109 222809.8949 335109.905 166414.1052 328996.797 300048.1561 233717.2314 483895.1157 617810.0594 195834.8024 166789.6025 232705.9601 166736.9519 211250.9446 219210.1254 161889.5725 176223.1196 202621.7116 197449.649 191493.3737 212255.0532 285477.5724 208181.2486 231760.7139 286077.286 509817.9685 254746.3418 237278.505 165627.2761 209414.6379 243539.7438 222354.7404 157664.8128 190224.0893 176836.322 162653.4641 KAPA 18954.49389 12989.26991 20004.59127 13707.54092 25956.84102 11629.75379 14121.12723 28721.08966 21842.51144 3399.761476 2680.247112 2371.132154 3163.038313 2514.390093 1881.316761 1656.470709 1090.395433 1797.305297 64898.53051 47033.30791 30310.28594 46654.04611 60106.4736 30747.60598 44014.28827 60223.96379 69270.51326 6588.726497 2351.904949 3174.958817 7052.911107 1465.71957 3305.512876 3869.924059 1957.933989 3117.452327 37117.35912 26746.16105 20042.12976 32210.42765 50305.69791 56071.07406 29981.13805 66085.99305 42735.6017 21005.40761 13475.44885 20213.0978 23912.98128 17984.42981 3440.401551 28533.80747 3346.909044 30340.00561 Sphinganine 184136.2459 171735.8357 180935.0583 171534.6306 167996.8481 143298.9882 148966.9583 158826.9395 159035.9325 139573.4624 141160.0584 106400.5815 124464.3103 144440.0079 95224.58163 171981.2019 123499.788 136602.0491 117176.7854 124570.3847 118457.103 116970.2366 111234.9257 117048.7179 128693.0195 140739.8019 129559.7639 106563.1721 123631.309 136412.0474 132088.2475 108700.3067 116495.6978 100973.2226 132840.9493 159410.4603 135713.4853 121659.897 126412.2583 113711.7028 111232.3435 121622.2793 115440.5939 148131.4636 131867.2909 142666.9603 131533.3155 125726.1209 134144.469 131332.1768 103357.5844 132624.5994 152170.0301 167432.401 Setariol 3506.532229 8915.934151 21214.15798 14051.75749 6934.197385 22790.36389 16807.27175 6898.299921 19549.9239 3541.336332 316.5139774 15812.17028 2632.158269 5515.024127 14357.49635 5064.160349 5895.286555 20096.64198 52060.44273 33343.59903 27371.71533 23834.71005 16794.13171 42449.31224 23909.54983 9781.487991 12374.4189 4.07813e-08 10802.24383 6173.453489 16796.82542 2226.083072 1091.458455 20047.5916 1217.978274 6947.186779 12545.90041 28936.31502 23189.12839 8423.827261 28693.15528 9128.854017 28621.91879 10267.7552 6154.425784 51046.96551 85978.9406 57634.11666 7579.36667 3015.759237 9015.374554 53448.15505 6229.612473 18620.92082 Ciprostene 2946.415521 1877.32573 4873.457537 4668.945389 5827.099291 8768.087426 5584.391543 2290.167667 2618.500242 1310.124361 1820.899673 685.4793283 1499.843236 1499.681044 1325.905516 1250.336943 3026.773372 1602.848294 4052.991374 2838.213366 2988.428833 5134.075742 4829.141559 8510.958679 2135.953956 627306.0793 1135059.883 910.0286946 1327.854521 1370.969782 1584.972392 991.7291043 1239.677881 1369.159182 2192.570856 1850.264809 2217.626417 2559.87622 2126.370122 3594.969233 6513.242584 2115.997694 5593.611955 467759.6867 214376.2065 6148.549055 5815.160319 4412.259571 4074.332023 1475.816091 1494.268984 4804.37033 1177.91439 5398.491428 Dehydrooreadone 44087.56407 22492.67155 48102.34272 44501.9956 67722.54351 58858.40791 46608.33162 16637.56762 33883.16477 4268.805731 1793.415432 3661.459303 4238.896056 10669.61295 18000.97853 1984.051583 232.3583536 5904.358651 32369.65904 26697.48623 20030.53709 27775.38977 25907.33747 29300.53351 23749.74162 20250.03044 22225.21581 138.5471794 2933.762713 2660.43182 3510.005647 1624.957967 1142.702886 3834.110326 240.8114352 12398.2033 32033.26944 26755.81653 27321.38662 20698.1066 24798.49824 31174.28881 30405.19817 23799.39651 17017.65176 46792.53244 47408.60903 37719.85002 29834.95071 26707.25661 5046.636621 28909.57577 2453.371648 44439.05177 Benzenemethanol, 2-(2-hydroxypropoxy)-3-methyl- 25106.97462 26629.40954 22608.33931 20322.92651 20549.97901 33774.95523 47357.42247 17485.83638 59089.71087 19907.40021 12653.08951 6264.638464 12451.67902 7332.875675 39703.97714 18669.66429 8445.032723 10145.32044 14143.6667 15183.12702 12926.87804 16182.26414 14830.64132 15595.7184 16411.59034 14929.0738 14369.71198 7247.400248 9054.321418 12991.03157 20006.95497 10464.33099 12432.87585 34202.19696 8911.360037 22611.57871 18924.78834 14626.78564 18105.61659 14829.83864 16984.0223 16417.73373 17402.90183 15342.48607 15227.33369 16017.77371 14913.11782 18490.63291 32812.04313 17944.17558 12886.51658 22707.74502 13927.62151 27540.68508 9-deoxy-9-methylene-PGE2 55037.90846 4.07813e-08 4.07813e-08 812.3467938 323.1914266 65734.31396 577.0323402 4.07813e-08 4.07813e-08 115.5656947 75.51598947 4.07813e-08 90.08748939 92.42827886 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41298.97471 946.2122327 1782.208358 1338.256028 2835.282178 43698.01868 122.8675629 114.6821449 10417.44086 4.07813e-08 4.07813e-08 32.65594981 4.07813e-08 70.58988553 4.07813e-08 72.00026326 46.20443991 97.46749557 147264.174 424.9758011 1548.804709 879.3296104 2316.741739 1062.972868 46969.77088 125.6114347 530.9887931 2782.745133 2053.940549 1084.208918 139.8033869 107.7336868 196.6853684 122.8506096 7702.379865 25556.23639 N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine 2516.504141 4696.871937 7067.971151 7827.750442 9438.360438 6307.552472 3899.300594 4239.392743 1401.988705 18669.08746 22909.90757 60285.10537 11305.33761 38541.53108 263.3935656 18968.48073 1300.314272 599.1234055 6725.658239 6680.515773 5327.265644 5995.820755 8398.064925 6168.082812 6542.286648 8247.915438 8546.280962 4.07813e-08 2000.11186 19914.17545 2455.039879 348.681421 8962.534508 3358.739401 4265.752106 9270.834917 2970.124808 5135.394991 5070.279919 6903.697696 6005.427055 6175.659061 6607.013367 6665.237336 7662.368813 2107.135554 3062.756078 3426.085377 4427.1995 2549.590989 1100.461295 4937.872276 3694.265953 4471.593409 Asparaginyl-Valine 2486.905849 56623.77301 8275.423656 3443.606878 4107.069219 1889.245289 4352.340495 5331.956138 7092.25915 35970.84224 44604.02912 5974.405453 50863.62459 5697.39237 3438.841288 2823.132047 2721.461987 3590.32838 2958.992135 3725.515565 4077.124916 1528.082145 3290.414656 4443.294621 4607.540714 3658.605598 3951.686586 3076.56583 3723.243689 23850.58879 19339.97908 6526.811924 5810.546446 23802.38567 6284.038293 68032.71355 10821.02286 3307.08682 2756.140571 2989.853623 2985.618583 2976.403931 5258.306019 4210.9149 3267.273865 7072.466059 4873.917854 4308.544398 7708.744205 59122.77702 11316.59269 5101.734409 20922.27322 4908.330756 Cynaratriol 17727.58881 12510.75739 17033.78992 19784.46011 27697.42411 20046.98724 18632.83436 15822.97121 13000.50694 5967.786179 6609.830974 6177.165615 6494.757745 7250.47628 7787.200748 12149.22429 8186.431066 6110.942755 33766.63066 31273.11073 32984.30899 31047.09075 28131.28415 38193.34207 28939.14188 38873.02101 34578.99366 3910.214092 3786.95179 8594.249743 3392.521456 12309.47607 5791.703762 4500.620624 8743.985001 9819.675309 27245.40631 25019.2894 26380.90969 27069.19132 32843.57545 31523.08671 33149.90963 35310.5613 39250.62087 44614.96244 26867.04881 24956.50926 28247.09049 25985.87189 17773.40911 25882.27324 16618.40491 26831.2495 N5-(L-1-Carboxyethyl)-L-ornithine 136130.6553 196269.7761 77327.72276 122706.3263 57920.75389 79287.94498 157180.0836 160067.3719 201472.3727 39620.84946 49883.12366 56254.61083 41076.99697 43468.14742 45769.32392 24278.99806 40935.12821 19867.02262 15227.45477 26788.21496 45192.70952 17723.91192 24600.3203 16426.14804 26575.41779 24768.14791 31509.27972 60211.50057 28398.30838 13294.86979 33404.80065 14822.57949 32514.84059 31182.79648 72881.75908 24392.44535 49408.20231 40813.86749 54667.62355 42193.78111 24669.23314 21158.14566 17570.99062 26182.12134 17920.93179 17471.95794 59008.25377 36618.06756 100663.9627 177260.4038 20727.62384 42842.73622 61337.54532 42189.80935 Tyramine glucuronide 63764.61992 108394.989 84578.69552 145936.0473 123490.9734 92071.57753 113663.2171 194026.7994 135486.5382 6466.824545 4501.030732 3256.797421 6698.880332 2105.776312 2406.985974 3267.319385 4325.521103 3940.645679 67604.48797 22318.98159 60600.89763 21075.32297 26680.20186 23761.75942 36956.83072 9065.930661 54817.08376 13324.2534 10720.84221 12741.21631 13561.78563 10956.14239 3262.668948 9281.236935 9438.597613 10324.74677 140874.1317 68635.43828 98115.24772 117206.6579 108513.6143 69818.76225 94982.76508 44600.74097 22167.0314 136975.659 113431.7056 186994.1551 238609.5264 246943.0735 7748.482255 277191.8255 12180.82998 201156.0743 1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 106647.217 86126.48042 13055.14341 58462.43656 18901.93105 20295.99125 61929.70184 362312.8551 36246.70037 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67808.54262 16304.51866 68412.36053 75701.5661 25659.72937 26097.59007 5693.891483 130808.8831 75157.37072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 168.2523683 4.07813e-08 26606.73052 4.07813e-08 Geranylcitronellol 1804522.48 1721369.311 1657733.393 1700317.036 1600227.684 1442371.094 1549957.387 1541858.068 1585048.654 1253350.868 1097315.654 1043906.769 1113303.401 1364212.68 940719.7126 1447840.189 1048585.725 1242549.201 1184267.61 1148527.484 1086362.603 1157540.558 1078189.402 1101460.166 1272988.497 1422931.176 1361589.524 995498.5887 1148340.711 1299433.821 1324721.1 1182972.815 1178448.487 1019300.032 1403809.75 1386707.097 1410371.713 1185001.822 1193124.443 1110938.628 1088986.684 1141593.439 1158270.454 1515680.827 1300915.656 1355845.997 1281834.682 1273654.941 1343962.109 1304828.934 985928.0297 1327777.386 1315085.157 1496871.471 Phenylalanyl-Asparagine 48746.28786 36907.55425 27150.82402 25492.09841 16262.37335 23633.92934 31792.53304 44275.00109 49898.94186 14051.52931 16121.74691 12928.90175 14691.1479 7033.840032 11171.29466 6144.043631 9530.645187 14814.34801 29862.25641 31066.93241 23226.62002 24361.55276 28123.22916 29859.05511 27968.42809 31339.13331 28972.13923 24902.33862 11520.66439 7790.416732 10103.69071 10215.72997 12578.92452 19030.76805 17242.70374 6158.100774 28271.62199 26734.42249 21048.66199 24262.63306 28670.6156 25706.23677 28355.7751 29029.46697 39276.86447 23777.8289 28785.70392 22885.57711 22546.37437 27784.64143 11035.95037 24675.22708 9112.991211 23811.30028 Glutamyltryptophan 1501.584743 1706.513125 1342.762487 1644.835092 714.5363126 653.9736326 1062.415086 1879.379458 2079.9022 13186.7465 9648.275514 8261.054808 13335.36845 4118.646854 6960.610436 10052.61301 20057.14048 27929.95708 2032.744376 1168.546602 1150.29006 1098.774812 1046.095131 591.8792361 1362.19809 1892.68683 1137.878449 19363.32473 10864.07267 12077.76697 20399.35948 9876.703854 13684.37992 21260.17576 10562.87413 14489.23816 3110.019827 440.4443941 1106.636202 1251.593366 913.4845932 1167.339064 164.2722818 2397.904918 618.3988236 883.6365402 1454.990077 637.0170621 1555.321135 1378.328209 6880.140678 1486.479433 19577.27566 870.6926861 Tauroursocholic acid 421794.6399 480854.3186 127121.5978 41689.72935 13744.07778 229132.4609 157347.2387 172498.3095 277587.6158 1002709.735 7744722.413 5608451.944 904865.8521 9517388.373 4628231.337 14543284.1 69588658.83 1844424.973 34641.40452 40048.13085 58510.23324 87490.28214 55974.4801 46853.3005 46333.22597 33645.27519 20950.10463 69395078.14 3038592.198 2374243.491 1660089.899 2969579.459 4231679.426 2821063.701 56421500.83 1782887.202 149045.5777 76709.12889 98660.31288 58591.13867 40889.90277 54092.70108 35064.9111 33822.41468 15550.3631 97779.34814 458790.3772 269690.8049 337989.8986 137043.3778 2084404.447 269256.1147 1811800.788 283898.9635 18R-HEPE 198532.6396 128297.6882 206033.7813 164489.6945 259995.2154 249226.6822 360287.2871 120504.8715 129531.1983 394.296811 2176.838198 3744.379979 253.9718598 12838.1854 4211.40488 15484.34516 33695.79632 1736.330249 286503.5676 453503.486 42032.12602 285709.3884 514256.3478 720346.4806 536911.8756 470099.0794 622147.1036 35571.57027 612.4751525 294.4118552 866.8062842 957.2608881 1267.490618 358.3627335 32338.28352 202.1476803 245352.2036 206152.109 57080.14213 192896.0155 423815.3626 364759.6663 720570.7162 516868.5429 358203.8541 605213.0812 375204.7614 246122.9477 147574.872 83275.35702 7324.241604 153621.6682 11482.76443 538504.5878 N-[[3-Hydroxy-2-(2-pentenyl)cyclopentyl]acetyl]isoleucine 23175.07766 95256.88492 27896.3847 29307.90582 31744.93896 28239.42314 35929.10417 54675.22862 63548.31541 6251.422171 5583.853618 18921.37367 7427.317053 21645.0263 18999.30948 8065.628803 14003.61997 20466.52839 3456.262921 3915.523297 5928.609693 3992.594557 7149.069391 3583.279788 18931.16318 21841.40552 10553.37455 11898.66787 15016.85277 6707.198142 10128.25439 16186.38276 18339.70602 4478.234071 19864.79094 14209.0299 89722.89186 15394.84326 6754.083387 3647.249609 4143.245202 14636.54811 3285.812979 18703.17028 8413.432894 3613.24765 5081.683347 21900.05557 47763.41573 66290.68633 19206.3429 26037.03716 11924.31032 9816.96664 Enalaprilat 16688.19386 10212.29604 21500.60714 19118.02812 24198.88533 17472.04011 21370.15749 12305.06429 9499.294382 381.9391212 296.358466 568.3070951 308.7446419 515.2091913 161.2628882 354.8905436 286.625542 385.5088701 24589.18021 52560.51505 12840.89313 30351.59126 55746.04791 50340.93962 46895.28453 29868.59082 58746.01972 160.7267973 1099.777994 1110.106572 542.5826679 1076.092634 1422.912148 291.7655483 104.1452753 378.2214445 21242.18782 31250.41396 11811.13784 26964.1823 41175.93285 43563.32825 49126.02684 29195.25407 43892.14738 39432.64226 27116.87729 25965.63161 15263.49777 11411.34426 676.0383475 19863.34138 420.2566403 40926.38962 Corchorifatty acid D 208211.665 164743.7384 165763.3742 151111.4281 172139.2546 173148.0907 169108.1874 148362.4993 145780.7396 97647.82119 94774.31852 58745.33271 97797.82162 69898.82203 89522.24738 59623.24093 49606.57188 62354.63733 218666.3586 203486.9644 185025.528 186272.1147 202023.6023 217519.4868 183667.2178 221682.4136 181350.2693 40284.93107 61031.99833 66324.22614 42216.20346 79654.92406 62640.15087 59064.00588 41690.06052 52528.79656 155013.1807 190790.9301 169482.7372 184204.0253 189689.4149 195322.624 205686.2903 208361.8154 247079.435 154408.3257 128856.1222 148769.288 141075.6162 120922.766 67830.91048 164526.9375 59657.63577 166655.614 3alpha,12alpha-Dihydroxy-5beta-chola-8,14-dien-24-oic Acid 245276.8769 436729.5324 476810.0362 358188.7578 400561.8815 354085.444 614339.4719 406845.8415 366812.4514 89464.65281 17196.02965 230179.6182 101990.5461 219016.2473 302819.2675 51974.44703 181179.2049 497685.8032 311967.0948 358977.2339 541599.2037 395903.6496 557536.9886 373839.1923 496654.7209 547333.0885 931511.3031 43030.25594 307765.3372 85150.86358 81150.74692 66271.13186 61363.29942 120223.9244 96837.32428 131168.2057 315621.0053 434163.1493 556816.4545 554578.559 389653.5148 476971.6822 347513.1123 454767.9404 958235.7351 1142775.212 554788.1331 476405.0064 468931.0173 346055.7745 136495.2236 419066.4574 84790.87964 568185.9215 N1-Acetylspermidine 321448.2911 293979.5348 164067.7461 201751.2817 184322.8381 150504.9361 254392.0718 290190.2482 376304.0181 86657.49193 92214.97651 189997.0758 90148.09187 181667.8774 60357.53464 45628.63162 87176.87414 100873.5213 166137.8665 172146.5842 72812.1109 122202.9107 125920.8102 181020.7548 132953.0842 473029.0661 320372.8926 152942.6386 147649.3072 187288.2274 129611.1825 204821.336 111086.1271 61004.01486 79312.72631 113994.5994 208914.5326 241648.2391 140600.3373 115445.7736 129830.8465 96078.35381 209380.0404 557065.9668 103319.4617 408303.9701 138036.8813 197674.3498 169634.6426 174967.5189 201465.6826 180882.8736 95851.78403 190036.7917 Xanthine 445836.5455 278888.8557 594291.8517 412486.3866 533240.8598 423886.2939 369648.4136 510403.4424 516205.0816 37445.12666 23453.03732 42287.89233 33341.28726 23313.01744 9778.526775 37592.93744 28449.67348 25472.4695 332158.8975 287888.6341 205929.3871 186856.6467 303530.9728 326029.3945 350841.2306 181213.3821 483457.6659 28529.07645 29935.69738 40854.62866 5453.267723 52390.52238 25981.34849 4096.703551 30047.26337 33923.99384 247597.7937 304645.996 321607.2477 370253.338 377922.1977 309317.4121 447086.8407 283150.0172 218416.7271 729581.0211 297888.8385 409418.4512 325251.3194 293057.4571 30337.7577 431529.3424 5791.963228 511690.3878 20-hydroxy-eicosanoic acid 1376.070686 14933.0197 3759.214575 839.6695445 1354.714622 1492.101863 3764.263392 1319.89107 1586.970671 13201.98965 6919.709953 4033.406034 1643.711415 13673.03973 3062.118117 37467.06154 28616.20492 18213.89833 752.8840374 941.4638127 721.0264711 2869.709248 619.3673665 592.4953574 798.2456863 9469.764729 625.3151572 608.2274172 1525.89631 9666.926639 9636.460545 1609.073981 785.2336851 1710.645716 4603.498526 28577.79324 1225.321803 917.9025232 721.7767445 897.6226565 6304.446203 1555.133035 993.6970228 864.552671 705.1469679 7666.050727 953.2194482 1604.927357 1666.215367 492.1091075 711.7926917 5352.300505 2516.502913 1221.989426 octadeca-11E,13E,15Z-trienoic acid 57523.65613 81068.71158 54970.38183 62841.31766 56939.95283 67168.45809 59279.06451 57787.75438 53218.96144 44426.3768 42398.33149 48475.64606 42478.01894 46694.45876 47995.71842 67859.77806 47794.68141 51237.04756 42105.39327 42754.1703 39495.40872 42150.44764 37424.08486 49160.72563 39895.22794 71444.84006 44534.82105 40583.18953 39008.4909 50128.91763 50792.7485 36634.71515 45509.67041 41040.90186 293543.7289 51101.30312 41261.62923 37065.21168 40859.12503 36752.53771 38145.36527 41083.71983 47077.95506 55849.35927 46745.35458 64461.03181 46579.78138 45815.43043 40278.65383 40551.78506 32449.16522 59588.35264 56312.29784 47236.49229 6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid 26965.92138 36745.24986 26295.98296 21249.02227 23340.009 12587.42638 15487.20239 22519.11529 39672.59376 60068.99694 2286.122756 88450.9372 68263.59701 121891.1414 123142.2528 36906.44835 26175.02696 353190.6133 8901.250142 10150.73149 12537.72467 10007.23157 2739.010564 1372.607119 5117.747631 4912.945138 2794.719947 12684.49746 32826.53349 5177.62131 13085.59886 10436.42573 10411.11132 25930.77497 10090.77533 22068.89505 13353.11 4513.46863 12721.04854 11079.97836 5128.146265 8304.446939 606.9851825 3863.437202 2898.623342 31320.59766 29060.86971 17687.01228 33452.86722 22738.27974 35981.74943 29516.16942 10977.03369 26462.3285 delta2-THA 1490466.946 2379850.464 3088749.18 943905.1954 793886.358 2885374.397 1093742.503 5142135.787 4988038.829 251354.8771 73588.8065 2382198.234 279196.8702 2846453.136 2469704.167 843479.4093 2633650.685 2683945.484 7439593.197 4208638.5 5717135.985 2473922.255 1989836.651 353316.5158 793896.645 309384.6813 268925.377 979502.4809 1581166.471 185598.7971 1011434.863 379169.0139 199624.2371 1349389.128 1525189.223 535481.6242 3690244.125 2460228.103 6350129.87 4635843.107 1399747.199 2182560.152 351633.1223 292203.3069 158559.5967 11983366.5 9483544.123 4772001.471 4841032.893 2217168.365 995761.6139 6408786.459 259877.3803 2347395.398 16-hydroxy-9E-hexadecenoic acid 44199.0285 38780.06955 53482.32771 49419.67141 59231.90653 39031.42485 31662.19279 68405.59056 40817.59952 24335.05793 22837.1816 22948.26451 23350.21373 28167.81454 32998.49126 79689.06355 133936.6254 32783.246 43621.89476 31157.41645 44789.84133 34074.0122 50272.53133 32101.7904 38659.11026 61288.67385 35599.04736 36657.89231 18827.04637 24149.07407 27214.5766 17551.2058 24460.80303 23989.56848 85871.56712 23497.28444 32910.01727 34836.32993 37986.38913 52023.21434 45365.95788 40995.50353 36389.96407 67546.73559 30396.68629 14910.30093 28827.30221 41547.70881 34376.88546 29633.35661 17310.46781 37307.09097 26607.33147 36763.85594 PS(O-16:0/0:0) 113027.3982 264338.5879 105531.5236 136502.2642 164231.614 121992.457 150179.7705 69809.96872 61191.92741 315489.6958 322160.8487 233378.029 319281.4904 293825.6703 203392.319 145787.4778 173860.74 119960.4621 202451.2315 133306.8301 133211.114 135995.008 116712.5341 77921.42518 124495.9668 100037.5713 87653.899 156531.3877 222219.6538 425727.5536 170480.9817 404019.1988 327103.2464 187085.1439 179883.1136 293277.4879 266968.1833 95671.81543 138111.2615 78903.53956 101055.2926 198861.6934 68724.99321 104515.77 115582.6445 62955.22988 64501.32493 103464.8738 108539.9319 91507.89813 330157.9927 160894.9983 288532.8539 127983.0141 15-HETE-Gly 175227.2203 107852.619 65779.62881 71982.91977 56737.83832 55916.9285 105916.2087 206828.007 158576.9872 67385.75551 70954.7423 22801.63856 34062.0313 89593.2176 17738.16318 22293.11918 46021.36891 67519.49316 52640.4669 39614.30693 46565.79815 85449.16134 53066.57033 55089.81934 67137.44258 52163.82061 56286.86038 23484.28491 34952.33386 38633.30654 23401.33113 38811.5354 21430.33079 34641.45588 53846.92727 32158.6071 127592.2775 132374.3666 82926.18212 61772.90606 80080.69588 62395.81953 54582.0921 71981.90446 64664.62177 13844.92837 35344.00613 68247.83183 122875.1629 149728.6961 49016.84242 74316.32485 41990.55091 57798.14192 4E,6Z,10Z-Hexadecatrien-1-ol 388932.7567 376133.7821 383339.704 375378.2024 359156.2115 315902.1988 321331.3263 346705.1513 344889.8722 251740.5817 244868.1231 231855.6164 233936.8388 250205.6804 202640.3322 301193.0115 230289.4716 265803.7592 253238.9113 261530.7981 240797.0738 246972.4401 229021.1699 244043.8206 282796.0136 312107.4418 287561.4531 219872.8129 252476.7441 277421.2089 270994.2044 241287.9229 253888.6615 229275.6402 270948.9503 296380.2395 305353.6929 251574.8125 263685.0727 231119.3871 233267.7008 248197.3772 262840.2128 315132.8375 287954.996 295650.605 275050.1607 264949.6318 287437.905 292295.1188 224392.3817 286702.586 289766.3609 344484.0691 Asparaginyl-Isoleucine 89114.58897 107494.4598 59921.02504 82297.75275 33189.57318 55621.08078 97034.32655 120272.2389 89645.58813 22675.65201 22206.01977 16367.79545 21728.27445 10227.08525 21453.15463 14484.17503 15703.3852 14569.56534 18159.29962 21107.07206 32946.1585 14331.51657 20130.94254 20696.92865 27650.88175 17341.28615 24946.55517 14520.89395 13971.72324 10766.98755 14567.34443 14162.09804 13367.79051 19068.51585 14058.76238 13566.54131 28184.82812 31709.66003 35091.06224 37451.03687 17129.23056 16443.0223 21629.83135 22971.15262 20330.16066 18458.37489 44395.51429 20728.82404 45585.52722 61812.63187 16487.06939 24220.27984 19420.32525 24377.85963 Tyrosyl-Isoleucine 242667.6438 199334.5121 82884.63491 140512.4667 106970.1353 74207.31347 137284.3902 145597.8977 149744.6127 68161.00539 86630.5715 78829.21102 62195.26595 84876.64242 72652.38182 73796.36776 108855.5866 110537.6729 53558.7911 65776.27847 93268.55172 50815.16248 55453.9626 50091.85866 63647.8889 68377.3366 60144.43678 39708.19892 80083.98959 118033.5847 61303.6745 199786.9527 126616.7323 75348.91738 59554.01558 71269.93086 82610.13122 78662.40379 72839.15556 64829.25781 64629.55353 58922.19113 51879.44931 59315.59739 65424.2381 54084.72227 60277.05193 43813.05756 79262.35826 135957.1259 86231.24389 54354.48289 45861.8112 54255.8761 11beta,17alpha,21-trihydroxypregnenolone 14295.74451 40410.49316 14982.68415 29849.12685 37317.27048 19096.69467 17760.41486 19042.86172 24353.33676 192.4880773 7.813718907 4.07813e-08 17.62322237 275.6411297 173.6955548 4.07813e-08 4.07813e-08 4.07813e-08 13908.84319 67978.5196 8541.292509 33558.07294 22589.06759 30912.17605 31476.24313 7343.662764 8206.531554 80.83541116 4.07813e-08 4.07813e-08 4.07813e-08 282.0002932 0.103275464 4.07813e-08 4.07813e-08 130.2766303 8459.510497 41392.96114 7909.008107 31745.71654 40234.43162 18771.76078 32252.72804 6029.375123 41319.82945 61463.93121 17731.05944 5912.092621 8260.281664 10394.75416 308.9167351 2326.655151 4.07813e-08 8247.215962 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine 206.5956098 4.07813e-08 4.07813e-08 4.07813e-08 242.8251052 4.07813e-08 249.7167946 4.07813e-08 4.07813e-08 804.6598949 10121.99845 8815.177202 1410.069354 1898.806538 13257.31015 25194.86924 2622561.247 14.52716929 4.07813e-08 52.35051408 4.07813e-08 0.044946886 4.07813e-08 17.17188734 0.249500407 4.07813e-08 4.07813e-08 307284.6179 1503.712997 68132.49129 2896.060082 24104.62541 74678.889 14988.74575 672603.3723 501.7868236 4.07813e-08 4.07813e-08 4.07813e-08 29.66840119 26.69670583 4.07813e-08 0.162410054 4.07813e-08 39.60451007 4.07813e-08 34.10144288 131.126645 4.07813e-08 4.07813e-08 623.3815888 354.3746496 21227.91675 4.07813e-08 Creatine 60048.69886 198144.2012 47129.61885 1012710.509 56340.06004 73815.24125 105701.5924 96182.34655 93606.01976 494596.0029 538321.5283 212275.3633 504371.2533 267437.8089 40537.14469 92733.35398 332852.2569 324439.9276 16963.37473 16537.45967 16903.61502 11825.86723 13178.09482 10514.88536 34069.02758 20809.07537 15916.23327 954678.7598 468278.1313 221583.4561 408050.6695 471103.4187 323834.493 210423.4807 150568.7298 131955.5337 44205.14194 17285.79539 16787.14996 24644.34336 16308.86219 44089.07472 9988.707432 18186.9712 13192.80065 480476.1009 49712.23738 41086.88684 77046.80793 201275.3008 223810.4031 111200.6241 240328.4351 51735.51017 Levan 113349.3415 330688.7921 118431.9214 63488.65395 150722.9209 82276.94443 64523.11326 880971.8634 776958.5994 4.07813e-08 16.39149712 87469.94727 71.17565515 4.07813e-08 806.9675127 4.07813e-08 2885.193642 1900.765622 95909.49473 108614.2684 41589.40909 15512.52329 28603.75055 107758.551 83307.95192 1206.252598 37694.87112 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 218.969089 28.38573486 794.975818 4.07813e-08 92332.74777 74100.22953 79500.21136 139586.7973 118866.4395 79480.6336 240060.2058 30099.39661 449.0631969 733415.6998 229134.6915 735212.5744 352121.8448 564035.4103 37.24114794 644567.2036 4.07813e-08 171129.8658 6alpha-Carissanol 24038.04389 15248.9888 27030.13114 20433.77934 21168.92682 5963.111332 7628.442438 18929.50553 39953.69851 894.1027098 510.8811358 917.0607618 688.5527934 895.7848152 604.1023469 2370.845552 782.0915825 1395.712973 8017.869474 14528.00178 29090.25328 16733.12665 5573.898594 3387.766359 88149.1795 136040.9758 40449.05611 447.6259968 686.4524268 941.4604271 1019.14235 910.7748593 1308.759563 644.7077976 1758.746699 1303.251886 25615.74319 31643.74113 37083.33588 27882.38223 13819.4405 7464.502196 3954.532225 140055.5376 109257.8493 3910.731436 4744.157591 5293.783082 12332.80759 14501.29643 778.7133786 9242.36942 1490.655193 10631.86469 N-arachidonoylglycinate 614478.3687 403122.9231 233208.787 248124.1615 170288.4314 183469.1352 376861.7456 802132.0836 695480.9065 232858.7367 213364.7806 68469.41056 112133.9157 264422.3945 38218.67585 78761.26632 99870.04282 193629.2332 204603.0024 130136.5561 170163.2561 289367.9642 187478.0155 195289.2573 256050.3323 194243.7592 296079.6986 72947.03066 91686.89813 109636.4028 70682.0734 117929.5875 77319.05773 143446.5014 205436.2177 113414.8557 510360.4065 503693.0207 312296.5975 216484.0417 272259.7565 226837.9522 189988.2998 288542.5701 217776.8784 69710.80808 107186.1599 246508.283 434752.2399 521742.0696 156255.9992 253518.1611 130056.6928 222450.2963 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid 7121275.596 5680055.159 6152103.969 1814798.282 1405768.152 6313862.06 1831816.058 8639638.286 7106080.021 1458412.935 856146.3516 9910226.734 1109040.299 8575400.374 7780343.014 3338421.882 30301981.6 5508821.096 2372956.896 2306098.894 5792204.015 3882171.748 753611.4143 119462.124 743540.0564 207304.7673 97490.97872 8810634.626 11808653.95 1760982.904 5039317.467 4830985.783 1703617.235 6447157.597 11934677.07 2760564.509 7408344.457 1079040.696 5559160.21 2459081.276 1275024.977 1391280.008 126507.3118 183662.1227 89503.08769 6583157.787 16031250.65 6502774.287 7803170.375 4973116.511 4961199.344 7851176.831 1189953.345 2928099.632 3alpha,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 842133.0312 964710.1449 1086018.509 544560.5416 520717.5301 1153781.816 534980.406 1672650.697 1801458.807 122863.002 49822.5253 386962.2454 124751.7493 697745.1698 784573.4397 221721.2639 2383577.911 431803.8223 1599162.894 1027730.984 1102442.375 963199.3058 503294.0681 467821.2437 454207.8103 211261.5078 220887.7224 417592.2527 415560.0881 116625.5692 884629.7656 680001.0818 192556.0376 578619.5351 894319.9604 225446.8522 1128181.725 620446.4465 1311566.832 989149.9049 610225.966 774446.3225 448541.9865 198278.124 174336.2427 3583694.693 4832768.505 1657416.506 2002028.699 732580.9569 615677.6518 1786946.348 120937.4477 645666.5672 5-Aminopentanoic acid 1798146.704 1925691.152 1158415.656 1239321.154 1168457.876 992869.7126 1703221.834 2279074.627 3092301.364 1170576.779 1182616.638 1848994.294 1347740.338 1171060.215 1340195.447 1656895.742 1649323.536 2669183.645 665623.5952 617346.3122 864419.0833 490050.458 663823.6071 742571.313 1776614.669 1680776.108 855100.675 2910092.64 1613725.961 1728376.177 2795349.013 1888096.153 2011109.313 2160924.669 2129902.371 1333071.833 4595459.878 650234.2568 898604.3654 764358.3973 632259.9502 563973.1633 957452.4275 1782999.034 1330767.017 1790302.699 1562413.662 1383718.996 1500358.124 1952446.022 1328144.123 1579774.442 2981766.017 1253444.739 Glycylproline 365435.3177 425615.7067 335546.5026 237499.1065 259283.3707 203125.965 314245.094 338697.586 371709.1825 93036.90183 59574.01924 52472.36927 111148.52 24518.16339 57422.9803 45554.06626 24772.33233 116841.3803 244987.107 334284.1674 328770.0104 175724.9597 214693.8345 196238.3821 290393.1596 401807.3625 419946.8035 67861.00357 58319.03801 37017.62628 71957.43835 29649.92697 53980.63881 169049.6291 47109.8298 46310.76897 228319.1392 302726.7948 331191.6156 319034.9236 198444.8039 225617.5618 197503.5993 433327.6124 186757.653 346935.4099 208365.9744 229875.6339 379573.4499 513792.3301 73493.85062 396360.959 60924.86684 254103.5029 Corey PG-Lactone Diol 90066.84134 74434.9844 76471.6854 67420.30978 31483.87786 16817.50674 30273.69117 49273.11091 54321.29801 4.07813e-08 278.6909018 85.32181439 4.07813e-08 4.07813e-08 3.168682996 172.5324037 4.07813e-08 124.5873867 13309.88886 28386.20578 35566.45958 20574.78138 5390.540351 2917.583787 74118.63381 146544.8873 44884.14846 4.07813e-08 4.07813e-08 187.2057585 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 273.8432608 60337.42671 53800.7807 63227.43768 29802.75899 11174.98397 5377.528252 4106.446846 149319.9021 97155.64022 2638.52059 4266.35204 18826.78418 28046.94534 53477.8954 339.5410664 20388.09332 4.07813e-08 11035.35935 N-Acetyl-L-phenylalanine 4633.84915 4878.259832 2939.833152 3111.23523 2677.562877 2186.939156 4360.025311 6456.742995 6632.748204 5798.775276 6281.302888 6692.297454 6279.28764 4277.409381 4797.869836 6154.128791 6963.521112 8996.849587 3924.766561 3499.688209 11864.27928 4521.745036 11411.97858 4455.172498 7802.45014 4324.875476 3755.992932 7380.566105 7090.492664 6679.978665 7316.228466 7129.606995 5548.552154 8809.008682 7297.221808 5850.172784 14608.74955 3394.690872 3130.557914 3977.87508 3854.746676 5320.396002 7534.010339 5232.743859 3888.784845 7764.882824 3838.707705 7750.319168 5255.261868 12854.27177 7376.00979 7750.915769 6628.470757 4587.497154 2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide 2279.615858 3726.722492 2191.646297 1233.34178 684.546292 880.386264 1856.702492 3727.429414 3332.945836 5948.842057 4449.15263 6067.604458 5751.91286 5751.626626 4032.691803 2391.081499 4030.869688 8739.164947 184.1566823 152.6392343 908.2947012 775.1686062 46.27640402 4.07813e-08 189.2450989 666.4247402 122.9162032 3865.614181 6888.511979 7010.65385 10510.45589 7396.418332 5974.892261 16218.97288 49984.96133 11099.86672 554.4203609 95.45815272 559.5517711 519.094007 4.07813e-08 142.4149884 105.2927128 650.5838546 4.07813e-08 124.5095589 655.7741635 1107.444539 1977.17826 1802.767128 7152.846215 1819.165543 12398.38208 1657.450401 Gamma-Linolenic acid 120880.5836 108635.8682 156202.9497 177493.3529 82662.56894 65196.62601 39933.52425 61839.33469 97114.54879 15401.45225 14990.63452 11410.66487 13785.34887 13127.4207 12963.62701 15454.9334 11674.94973 11335.96674 115488.814 28835.41963 107449.7069 49385.13036 108680.5435 120440.4341 46987.8455 32292.89669 25916.07035 9497.850894 10430.58903 16183.09942 12284.76829 14961.47158 15487.31321 11130.01552 15349.14644 15118.42055 42792.57676 52698.78396 87021.51881 62451.42848 45540.20085 76574.60118 123066.6741 28408.83633 72385.78663 15394.6495 15438.37817 30178.10154 70995.1744 64981.93461 12634.26195 84631.57781 15721.65506 141793.6574 Threoninyl-Valine 368616.7093 475836.2854 199072.9809 281021.3784 140971.8395 160575.4239 417678.6221 395288.1707 495129.4849 40766.24436 38642.42777 34941.61966 37054.55665 16891.08006 42997.93908 37029.34808 37490.16607 15293.72391 47658.49423 48798.93855 105055.0016 36333.47176 49981.54195 48537.85494 61613.23294 55026.5343 71990.94415 30490.06271 23840.82696 16061.28242 33001.40779 17865.79199 25113.50314 33658.96271 55584.7813 26734.04026 99695.66759 115925.1588 127913.4824 103780.4583 69859.21628 48904.70539 51575.29868 67083.00789 47330.08465 47553.47858 128826.7271 81283.72703 191840.0611 235576.4368 18869.67176 96583.6652 37431.90068 91099.21058 Asparaginyl-Tyrosine 19773.06864 30071.85476 14677.01965 24126.78593 13304.95449 12602.61171 26088.50211 33243.71107 34274.84135 8634.267702 9561.772125 8529.22145 8817.437683 4693.488229 14018.75401 9213.406236 15686.18841 11176.07644 7209.678331 8559.970217 13415.66909 5282.792993 5321.129535 6093.245452 7539.299395 11915.77462 6554.965037 9162.276102 10403.3788 12285.51794 23283.34179 13650.34903 7865.377814 11882.90015 19147.88405 9156.961213 11816.14789 9997.65943 12796.17719 11398.96203 4858.864139 4918.059806 4284.386062 9610.192296 5458.168231 5692.17228 16603.15961 7674.717173 18303.66859 27017.2339 10459.12444 8832.940481 11620.3701 8036.385059 Gentamicin 300575.4917 275565.1971 270017.742 234035.5003 265434.5669 217839.236 207872.1905 198270.6465 192045.8276 146909.1448 146553.3609 146889.6413 170594.3231 171621.4829 158841.866 207560.0306 147370.346 189221.3603 172446.1769 190521.6495 153152.3204 174226.8645 137517.0793 139546.5818 159252.1476 180639.7956 194637.5257 123701.7719 181849.2549 165507.8658 178976.4651 177070.475 129938.8659 130359.3581 229029.6539 207823.7126 181775.3175 177029.2617 160520.7502 177563.4128 142143.4204 175044.4426 166567.918 208703.7677 167948.3493 205929.6438 181323.5496 169690.3566 149843.0058 151694.7223 146796.9338 183167.6041 197141.8191 254971.8696 (-)-11-hydroxy-9,10-dihydrojasmonic acid 62495.88098 45949.08967 63448.47013 69858.48969 79401.91602 66350.94245 57742.51484 61413.32948 51089.56395 8298.706957 7089.226525 7421.176106 8193.17777 7625.444611 8041.710134 9886.785161 6878.407441 9129.031415 94494.77947 92212.72262 72960.3072 81413.30535 103236.2472 106774.3774 86224.18991 87048.73182 98608.03554 7553.603575 8133.158492 8538.029515 7599.094066 7892.676418 9993.358013 7732.604606 8217.134118 8722.205548 62167.21657 73636.93652 66123.76896 81217.39891 86198.3496 95327.06272 98298.08597 88672.28378 100829.7119 77503.76706 54621.5639 72413.91336 50707.05899 50204.32165 9755.737054 66361.48184 10439.53551 73394.8214 Tanacetin 3585.128365 2896.880303 3808.954088 3800.021077 4503.351618 3877.036695 4487.75687 4273.24512 4064.922379 1092.462498 1731.658129 1250.394045 1115.117071 1515.191071 1626.205013 2920.484826 2674.25203 2394.740333 5371.899864 7310.518926 11470.97572 7633.914128 5809.218111 5849.345883 6123.866722 6089.274494 5912.751353 1528.082854 679.4919115 3195.008327 943.3569998 4225.233965 2242.332765 1994.798654 15501.87853 2887.264606 5825.043244 4591.017932 4594.3638 6030.760986 6028.370238 6344.807414 6038.744694 5469.434769 6363.376848 6067.668255 4897.983041 5768.622695 4840.380209 3728.801534 4647.468851 4438.329778 5940.737194 4805.599899 Lucidone C 88774.33448 82937.25011 96815.1046 70519.05566 73333.77259 85830.61468 55453.59734 76253.44777 94570.73285 139101.3255 15979.45275 103545.9776 150320.626 93962.31603 97853.75063 25851.12392 22415.15425 235052.8476 49865.84493 63361.56457 67441.7015 51558.36654 54617.84055 57703.93498 49628.22089 37652.96804 61212.77159 16047.35237 168295.6527 50412.804 86603.24192 33226.2037 28075.33892 157693.392 16299.06204 79405.02179 46633.13903 51061.2873 55031.26407 66562.83785 44710.42597 55732.71753 57496.45131 35532.37875 66122.68906 97263.29681 90829.49506 55437.6829 71402.45772 52635.12123 151628.3189 59828.78795 36698.71996 53746.85881 16,16-dimethyl-PGA2 8272.527776 7576.565529 7017.815044 11120.17565 8215.954688 7065.123856 7130.857734 6104.557627 6911.592971 3655.325985 3745.072201 4442.484474 3775.149408 5100.576863 3668.641128 5388.207585 3825.470462 6221.341472 9654.629164 11459.57032 6662.293005 13132.99809 10512.46015 10972.83172 10350.17924 65396.74406 97970.68421 3009.463241 3670.974252 4062.258997 3537.510597 3767.742534 3832.2402 3553.751422 3952.585425 5104.808827 7196.715631 9553.880667 7201.481012 7986.949653 15411.45492 10115.66076 9906.270297 52275.32317 74659.25067 5777.016552 6685.281168 7924.28364 5407.119535 4335.977272 4200.150592 9498.694191 4258.906986 7798.186014 (E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene 11568.68305 9836.449194 22958.07821 16529.92726 13264.74683 21391.75783 20313.35184 21668.8125 29361.8774 14195.75355 42524.51632 7826.424202 8841.596332 16730.19208 15731.81033 122742.8915 39786.27567 11716.13716 19563.41823 23046.68552 20790.50558 33420.68747 32321.15575 26952.75551 27725.38207 26125.05557 22392.27924 136771.7439 6447.76174 51961.65328 6894.440557 18019.06828 25423.21224 4360.436353 69887.27434 17109.92653 24075.78709 13338.54809 14953.57926 10701.43712 25799.66624 12666.99705 29290.91618 22521.99566 11657.42495 19057.1579 25013.97492 26621.32279 22811.93302 12203.05063 24033.58515 21990.60133 92904.3907 22810.05344 4-(Glutamylamino) butanoate 27286.3949 70950.66408 19043.79476 26276.80688 14848.50746 13687.23765 36928.11762 40287.47963 38609.82549 141988.9981 125970.5926 104882.5948 142797.1804 80385.95114 91573.21757 60738.79049 101395.3526 103319.6826 8421.170217 7724.61839 10818.65871 3986.187934 12517.75313 6167.633119 6462.375162 5761.784689 11546.0457 81176.55173 108198.2577 112177.81 84185.86045 133732.0463 92157.16325 107977.7075 45084.09659 96032.93676 8137.409532 6877.839926 10279.1011 12525.20557 4753.899473 11876.2443 6026.584469 8692.668103 2942.254865 8184.948663 10254.2442 11060.29702 25266.78993 48421.29437 130567.1697 15589.58198 121224.4272 16193.90125 (2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 20584.1513 31958.36028 20253.74909 30159.60468 34228.97896 15912.19744 22422.0021 20058.05569 23068.79233 26662.51362 33015.64277 43729.85841 28019.37603 28346.42096 39535.16932 21844.63991 11293.57348 18893.1272 49439.55766 30819.97897 54256.14148 55393.68208 25565.37214 30927.35044 59484.71292 33468.86039 25574.48891 31403.02867 34105.58291 43679.79034 27530.06119 50866.50974 62309.31435 45699.63884 22206.4928 29863.67055 29829.35533 32924.36383 33512.02695 23459.84818 57125.79763 45439.76152 28030.93223 33792.47301 33913.72167 20319.97676 20535.92858 20878.45288 72848.55692 45663.42633 48275.63591 74878.21018 46935.67052 17756.95107 19-norandrosterone 11804.60475 22290.02292 12100.52582 15935.95713 11796.52717 8797.996099 11583.27762 13617.90234 9655.911348 7087.843951 6888.348088 10021.15563 6423.679809 9773.961624 9294.532204 7939.354545 6581.95849 7144.653255 6039.17576 6230.501062 7024.328196 11136.35457 8152.813719 5596.04617 7713.634464 14277.3736 9806.543974 7251.890385 6484.145039 8989.036438 10537.03689 7008.143529 6804.286382 9331.505052 39000.97057 9773.981738 9084.739807 8283.409815 7161.958477 6705.266842 8600.364283 8993.423006 8697.956286 9843.055204 9677.19455 11664.19077 7086.98593 7985.612364 8336.140564 7676.927415 6635.490363 15401.59112 9328.848775 8849.316105 Glutaminyl-Leucine 113762.6519 160637.9539 56997.44194 114303.7865 49928.39328 56137.17854 139832.0116 149665.18 106029.2089 16522.92548 17557.17953 13083.22994 15045.40136 7481.311602 21060.25469 16793.25783 14830.29996 10595.35276 17430.94995 18999.13566 40046.08298 17632.52139 27855.3844 19249.12803 30021.24919 21075.12261 26306.44076 15866.28843 11938.8962 7654.419146 14423.56626 9955.134301 14671.839 15743.62231 13171.11186 9576.080702 38546.09687 39215.78366 49455.60819 42108.93446 23554.30447 21755.17031 19869.69861 20812.33257 24638.03738 16062.25411 41609.43559 33152.09194 75395.006 128819.4763 8766.702945 30998.93829 16620.12688 24863.58871 12-hydroxy-3Z,6Z-dodecadienoic acid 199849.5835 137225.3054 178629.0735 142797.1193 189211.27 188312.3816 165436.6119 222226.3746 175848.3429 21526.30347 26714.07816 28519.09188 20887.43306 21575.65302 17478.59617 29824.84462 39831.05983 41839.03489 338220.5897 328767.1325 297666.3183 277823.306 336808.601 328107.9107 298215.1691 358656.0886 371288.3515 22888.11329 33298.90138 54929.7193 35244.28694 66447.20406 21015.47664 33851.1614 28997.18105 32653.17981 198852.3532 263254.741 240830.3466 301790.4092 287834.91 333958.7088 317727.2692 351549.0184 424328.3474 257205.3173 189972.085 235079.9561 198720.7525 171726.0426 48466.70785 214982.0939 46451.92283 250359.6239 N2-Malonyl-D-tryptophan 1509.736077 5987.922063 1182.610689 1971.716668 348.9526251 583.7645048 2797.597324 3231.214321 806.8061726 33943.00138 29869.79365 20409.23571 34990.44775 16919.40753 22505.87501 13952.13206 25309.79902 44993.5672 214.3519765 166.377195 4.07813e-08 106.7405523 118.5260761 82.5065495 379.0778096 116.776417 4.07813e-08 32968.64987 31941.08906 20148.5994 25017.84995 40670.37541 26197.46252 37596.76616 15730.64428 17587.17364 2765.233637 94.03100268 95.68144069 94.08071897 105.2796154 110.0595457 299.3746317 209.8711023 244.7243115 96.24686822 273.0804733 269.8864248 2284.41695 5375.911055 43685.89993 1681.941478 35302.40681 2781.12744 Methyl 1-methoxy-1H-indole-3-carboxylate 1909.558816 3762.029223 1295.087111 1513.485144 1344.691226 1614.199281 1974.516967 1874.353197 2541.892574 69587.4918 89307.30759 54863.66339 50857.69547 86387.57163 35262.17349 64624.95461 31115.56065 58459.81476 2596.055383 5060.685143 2060.957571 1103.189322 901.3584148 2292.881551 1835.896203 4270.055436 2002.468205 7427.347548 44120.26724 59593.45621 25462.20704 57575.53975 21498.07151 12762.91008 23749.31081 36012.84851 2056.515741 2285.719921 1607.475101 1145.273823 860.6993808 577.6821593 1240.162356 3830.60269 1278.196007 1264.832483 4756.698973 1504.079476 2256.632579 1818.464004 26518.57549 1317.734332 61806.43137 3708.550711 15-HETE-EA 15175.95395 6959.398848 725.4928767 4379.761177 519.9797671 1992.334119 7080.316823 21626.39178 22056.7435 54153.51407 51814.3025 11833.69103 18457.28929 114551.8901 124.7075273 28339.85418 19700.58052 41917.51624 371.6377092 555.3251176 7009.111942 2564.41352 568.3438951 1114.463017 1517.497487 661.4164087 2739.513273 4.07813e-08 9932.326986 18723.09293 10065.31037 3400.79693 698.8461835 714.0374921 39938.63856 31446.43852 10975.28533 10244.95855 6196.452339 1172.756673 3224.144642 2174.427701 757.1986964 1004.447203 1565.720746 4.07813e-08 4.07813e-08 4.07813e-08 7153.252402 14342.35345 916.290842 987.0732974 31355.12793 1541.318218 3-Oxocholic acid 38632.62073 42533.27903 50536.82358 15155.89747 19138.5329 52266.28666 21103.52225 34446.57841 54825.2528 65278.90759 27920.43687 331798.2015 64194.91693 842495.0748 1110424.961 264309.6993 2456635.527 283915.4177 38792.52625 30190.50345 36756.96181 35569.84893 18564.94485 18891.22226 18626.20223 12406.30211 13830.99063 596028.1175 298827.3873 84029.54137 1088921.931 700733.8876 250976.5938 454442.6943 1269623.665 169549.4951 58193.50203 23956.99657 45383.58751 30828.1761 20128.20969 26755.96875 17360.36816 9366.170843 15897.43251 63740.31436 129768.2067 63045.10709 170061.6929 24319.69234 322944.7903 98976.45097 51537.07261 37953.26555 Valyl-Lysine 10045.78315 44452.07644 6603.097327 4986.368452 2723.437928 6699.217578 18952.05937 20026.44497 15806.7503 90862.87435 65672.04622 30723.49538 83948.63857 29408.02163 54815.27007 15817.59845 37565.82221 93519.56422 914.1497568 2093.393462 1784.516646 1379.298038 1445.75047 1215.907954 1270.045106 2950.683582 1521.852523 68119.67221 60668.70225 30444.01513 60239.94898 77610.32261 54161.83923 79651.68744 21302.89878 23397.88029 3530.328667 2158.030189 1906.295112 1601.167264 1337.709797 689.9705196 941.6953872 1852.924632 1392.323628 757.3473039 1525.181218 3430.235291 7471.092724 14608.69563 90238.14997 6028.612979 69910.01833 5184.68195 Asperagenin 10976.93583 12697.75524 31744.74753 18965.67024 34055.18118 22603.95339 19503.40909 12496.72128 29325.80179 5929.040946 5599.115328 20475.74457 4174.071856 20169.92452 38380.48334 36930.81754 147962.3569 47080.20392 21806.73878 20355.05762 22501.20223 27146.73827 21213.16119 29691.88716 17743.20403 20597.68273 11337.11379 15543.13417 3874.219451 13704.17719 13493.57879 12060.53338 14174.80022 10529.37888 54996.87544 7916.874619 19209.86875 16728.61829 25444.29231 30800.64263 26626.92558 20303.46602 24805.93563 16716.69316 13565.76027 32304.65649 19397.08845 35349.57484 18539.51378 15265.52676 13369.79119 39466.30538 7157.470184 12004.22085 Pectachol 330412.9776 340265.604 348966.8709 341836.8085 327657.1732 304987.5804 305641.5001 304970.3781 338845.4207 230606.113 252191.3923 222708.8801 227441.9367 265486.8384 199854.9337 265327.455 213171.4359 260312.6443 226811.6053 239776.2252 241765.0058 227201.6894 230577.9272 225671.9734 282342.0871 290877.3614 284666.753 220452.4735 242326.1111 299814.5708 306935.6938 229873.5172 269800.1712 265895.0331 771967.3762 275062.4934 296764.0055 264192.3504 273617.3483 241794.3418 198396.6639 222837.357 232239.7309 301855.178 252610.9372 306422.6434 392508.7544 312408.5539 294911.7059 301129.9179 217693.1592 376573.4206 283457.6597 329879.2123 4E,14Z-Sphingadiene 19273.32658 58009.14199 14365.60576 22487.64734 16418.01426 11337.17048 23334.89974 19671.88093 14287.3551 13280.50623 11851.61674 25677.69231 12409.42286 18484.53059 25412.88069 13580.28242 15216.67032 16757.94109 10727.63743 9441.917976 10636.18897 23406.88489 10418.07047 12870.97176 9001.411681 27489.13639 11802.07889 14281.45229 11024.20605 14675.48446 19636.22572 10742.22553 11828.48204 17877.87669 102388.328 16732.95178 14503.1435 9757.355575 12124.28636 10634.77975 12013.94435 18000.64828 10592.6606 11689.69269 14829.31584 41289.39567 9947.23577 10343.14851 11590.56232 8892.78831 9152.40276 36544.59087 15673.89931 12500.50826 p-CHLOROPHENYLALANINE 1413272.763 1231576.88 1278785.634 1221431.558 1263682.057 1018289.768 1109786.301 1133376.062 1258305.509 863809.5806 774151.0231 884756.6392 946824.2867 969238.5252 751676.6625 1147813.113 721916.1133 757771.02 680230.9584 806378.3569 743208.3145 914666.0733 822061.9825 860936.9112 864533.7814 1020759.4 913868.8052 841400.059 875660.3627 1044084.503 1022796.252 781614.9445 901089.674 672608.8143 892715.2938 961915.7051 1109757.977 834071.5936 813292.4409 835657.8024 731686.5967 842970.1006 857568.5002 1071382.133 940442.8824 1059772.148 1021248.691 906826.373 984015.1139 956930.5343 733816.5126 861761.8959 976247.8536 1183456.897 Okanin 4'-gentiobioside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67338.84055 47349.61868 1738.732688 43272.36596 0.035291344 33155.47098 4.07813e-08 39365.59451 9883.912098 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6586.798247 49010.268 376.4985738 30090.69997 41248.86887 15580.7067 15752.851 5711.357481 1926.641679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 385.907747 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30532.59481 4.07813e-08 40447.20382 4.07813e-08 eurysterol A sulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 415.4738171 4.07813e-08 4.07813e-08 4.07813e-08 4556.13155 5185.281719 7216.831075 852.0280662 23206.48152 12648.49746 18817.21874 329450.2764 21903.05507 283.7049792 74.60869334 180.2308424 3.761590727 266.8388588 47.23084673 244.6046059 26.47319892 4.07813e-08 19459.05721 2454.106849 364.4379259 4809.149114 4386.428943 1201.16969 1418.020031 32317.02555 1505.196409 221.9703953 4.07813e-08 39.5971881 141.3273724 270.4141584 122.097065 4.07813e-08 210.6432394 192.4405437 391.9383168 754.9260142 193.5075384 239.0110657 4.07813e-08 3417.80258 4.07813e-08 3297.415738 4.07813e-08 9(S)-HpODE 177257.9543 139783.4515 108891.6273 126625.2039 117737.1077 115599.8775 111952.3265 97867.22357 137724.6764 44231.97144 35898.91409 30631.43112 43729.46469 29690.77094 44282.05765 67282.68645 63318.79071 38587.81375 129472.7495 100744.9794 118996.4934 136838.2082 115381.8456 136562.1717 96990.93239 129884.2003 79876.6162 31054.22112 28667.39791 38667.13611 33822.13722 26520.16205 35165.56831 40404.77042 56937.12266 42049.10624 88469.02818 118181.3778 109359.4413 75835.82133 133172.0954 100657.5365 137881.9272 116124.0424 117252.7291 83114.62441 68971.31831 111689.3143 109197.9641 91578.07642 37854.38489 106909.4767 44292.83479 123052.1602 Allopurinol-1-ribonucleoside 30711.3165 17074.89559 55843.06831 94064.27354 20931.66295 92771.43603 48878.53828 30174.57823 43367.25364 7271.893294 4871.653739 4094.670389 3794.529846 4241.813736 4348.980775 4604.486954 2850.713706 3270.601297 95336.95424 55639.70765 93619.15976 46871.27639 200217.8524 268774.2823 143852.8512 8188.158916 18497.1276 1703.079 10586.53705 11220.41604 8311.327511 5010.187912 4957.428437 32074.19661 4243.523276 11291.12589 23325.35812 99648.19543 73060.13838 817757.2882 27979.43557 76703.43542 233158.2654 5913.281028 9452.386462 59505.72971 25361.94806 56595.81048 24784.10018 65103.64955 4873.760249 77926.92319 9366.993179 14782.67705 Ophthalmic acid 6519.357251 23721.61317 7410.942349 8641.077345 7834.447196 8506.641831 11777.01332 11155.63361 13649.30328 417026.7271 418372.7977 242831.8757 457467.4001 222513.8427 257063.4263 191240.9147 246241.7513 331652.5653 8392.558469 6811.748972 7498.665035 6597.109984 10140.96819 8048.307577 8572.066621 10030.84209 9298.606322 238790.7079 313054.8739 317292.8232 247209.399 390430.2871 246777.4953 294003.279 134656.4396 232415.4491 12530.25344 6587.416853 7695.355509 9416.429868 7433.502282 8626.819327 7302.774846 14090.16788 8973.006916 9968.301489 6732.445713 7667.470543 12327.42562 25278.34549 412409.3149 11135.05603 382892.3446 12241.19801 12-hydroxy-9-octadecynoic acid 49599.37553 55672.52598 69519.60619 78563.21511 68178.44155 52983.63912 40836.14101 44640.88756 42728.29352 23216.23754 21677.13118 22527.53548 20848.60523 25871.93708 17232.57482 38557.18083 21268.41646 18126.77978 50292.83305 49689.20507 58716.69068 47301.89017 51404.56505 60561.97606 35179.27608 65783.53773 41901.99598 12388.99479 14886.48264 32797.63826 17781.95938 20928.05837 19815.46208 15646.34784 27401.6197 22105.65369 32636.11134 47761.6897 40688.21407 41587.65537 52722.19864 41645.44428 60721.19838 53129.78042 63479.76314 35978.05281 34339.3768 41255.92521 32612.92175 32662.51775 14217.22872 42734.36076 24433.12495 46291.55371 Panaquinquecol 5 334148.6625 327879.9737 337958.9887 326564.3648 319566.8438 271973.351 295416.3802 296585.2299 295628.5425 225033.3869 213215.7438 203973.2757 218181.2927 223072.0754 186407.0375 260101.081 194051.7984 227834.5938 219007.0273 222679.4648 214530.022 220550.5289 214095.1116 213127.0347 235151.0433 275672.2256 253201.2104 197172.4464 232495.1491 270529.9935 246734.4814 229581.8654 227320.3225 194903.4314 246886.3989 247115.9762 262521.1668 226184.9921 234611.6978 208908.3485 194708.3853 214622.251 221984.3764 296532.1266 248829.3506 263428.3207 249418.6743 240561.2117 251402.632 243652.4765 187270.4689 252367.1781 263982.2954 307239.9395 Glycyl-Isoleucine 142381.3795 156118.888 55582.9446 89651.67141 46899.57396 47727.2243 145880.479 211443.0879 268185.6067 43057.3246 52211.40864 76121.57663 38714.00159 25911.8882 81114.07647 57392.9135 53005.6481 56307.73101 13327.12308 16038.61745 20074.67746 7470.000992 6972.895919 13822.02356 19678.56945 17566.10483 13959.59676 103067.2311 55251.67924 24678.26269 83584.15968 29616.83571 43139.36546 62340.31363 115427.7956 40890.79692 41915.46277 30063.4247 30827.98698 23061.74022 16418.52772 8790.892837 15458.96176 21514.97553 10878.41938 19280.62809 69555.1822 40550.23528 68460.31241 88032.50951 31988.33959 59805.49401 40691.66997 44306.47974 Leucylproline 765143.115 962132.3473 432758.3347 497852.9985 336308.3919 349706.26 811430.3783 1000588.473 1488159.82 78389.90882 49113.82106 137110.3331 102520.3298 37243.46665 63881.974 45375.73667 25985.00217 98302.91996 78422.91543 107657.7972 173539.1487 76230.22037 121375.2285 123446.5461 144348.8623 100978.1786 188887.3094 110460.9437 61348.71703 25905.28255 70096.89471 21361.90019 51009.84457 93412.45494 72559.25152 59150.64389 190938.5362 217907.118 264138.4593 266739.5121 150047.7709 121827.3639 133561.9269 125113.4493 97956.45757 145153.9172 286577.2559 252469.71 461155.8466 522847.0976 68604.35815 237479.4245 158601.1715 221581.9178 Phenylalanyl-Aspartate 16010.94443 71858.33055 14354.56908 17809.44207 8076.286187 16460.56739 28821.29692 40777.70221 34702.9252 621718.2313 551021.2174 354203.256 682266.4373 354699.9483 379732.8306 308135.1717 531895.7047 524947.4569 3498.022437 4454.80603 6282.097707 3012.318425 4670.887624 2819.032135 4103.601634 5565.723489 3937.252082 384432.7092 403147.15 519801.2043 362902.4352 598456.1584 389728.4597 429800.9947 245505.9768 460656.6152 4595.662305 5167.683165 6531.302904 5120.137284 2205.976351 4768.59295 2670.547799 7700.359158 4428.830329 4042.397662 8256.824938 7466.905253 24601.61133 61380.33676 615455.1459 15287.03974 561968.1806 22246.04978 Riboflavin (Vitamin B2) 80431.92514 114722.8133 61154.44574 67240.17165 69528.31479 94723.18144 139422.71 156329.2018 153513.5062 346104.8329 128647.8402 184721.5163 448020.1727 120653.1898 123308.9575 44602.85535 509264.4026 251826.1805 52399.49998 52788.95935 62415.17517 83792.97398 54047.95206 44470.43586 39266.58428 40979.05639 51858.62511 77877.92728 234892.4881 134047.0209 228566.2358 306795.9092 314871.9464 515749.1593 157074.2538 248447.3325 83539.74817 59455.98182 45721.47602 56405.94318 51709.89551 85906.19035 58458.62454 61783.16597 33810.88926 72008.74393 56307.48942 69724.58091 121904.3045 76509.14537 578157.6374 95512.32151 231206.116 83469.43885 Soraphen O 42296.08837 38354.18951 32585.66975 29471.58556 37302.35363 35996.08565 36006.71069 33309.67953 31939.31372 18776.58115 18057.54676 10918.24759 19605.62401 9741.053742 20450.41201 7273.039068 11940.23663 13844.93509 53978.77797 56327.33129 47309.51668 43239.13621 53373.82759 52197.26546 46883.61721 60009.30986 53017.08208 10482.65442 13197.85556 11998.18839 9552.673935 17664.1027 14291.08624 13754.78774 7311.902057 8533.27934 39766.0067 48994.35155 38875.76948 44113.68596 49737.63011 54021.13164 45960.47356 56957.1044 60843.46447 39271.56969 31298.87874 36181.4112 32709.80246 33463.65518 17818.84113 36536.69866 12152.15782 37934.27289 (9R,13R)-10-oxo-11-phytoenoic acid 9568.003768 7502.415716 10499.58747 9048.042239 9508.645353 10696.12932 10928.28262 8199.733066 9411.596755 3218.302972 3484.197322 1563.90969 3783.874828 1725.030451 2189.064991 409.7476968 2383.488979 2191.74613 21151.93058 21184.0217 16750.68333 18986.27319 24677.5642 21772.75949 17807.32294 15236.26719 17316.74585 1436.979339 4392.781549 2333.28562 2395.796972 4228.180561 2566.832691 3934.664023 1500.148424 1453.543465 13653.67136 19432.90313 19752.48075 19705.61621 23321.01653 43995.23943 26997.77763 17040.10808 25260.50051 17920.2294 12527.02466 16707.31391 13698.94253 13374.76332 5402.89241 18745.78361 6042.067329 12522.6317 (9R,13R)-1a,1b-dihomo-jasmonic acid 108578.627 112043.3123 128999.3407 128610.4815 127956.235 93973.38213 89222.63253 84281.51672 95065.11316 78556.67823 59903.38078 64624.00422 76898.72616 80792.79794 57577.26367 86012.8229 60114.80366 87585.05436 67398.78087 70245.52006 69571.61302 80475.71598 73263.82128 74021.42822 89700.03377 85507.12043 93183.47496 74164.37414 68390.38243 92057.09642 83276.30366 73311.05682 78426.70366 59452.89893 70807.85307 96682.74979 94458.19089 75719.9213 72315.97311 78302.32302 73129.94958 72807.13566 74900.8197 105277.5848 85598.92481 79726.74314 75272.89496 82838.02892 84674.98302 90691.2725 70890.01336 85309.26844 83009.39776 116157.8008 Thiamine 1473717.763 3603344.488 3608097.187 3930739.147 5391847.069 3410981.203 1811466.54 1294367.835 738503.549 615217.2334 71142.01961 1099874.791 615136.7074 133492.9885 49992.5163 86112.45163 29116.83036 16749.74623 1914374.841 2421075.293 1856403.945 1091238.604 2421281.632 1429390.435 1923739.254 2945354.979 3192138.662 31652.71951 52941.04949 318228.0656 139470.7041 29918.75347 1361192.528 783179.5265 556967.0819 500152.5366 1169763.989 2126680.508 1340486.922 2038470.749 1368197.041 1633349.967 1849717.841 3626986.145 4046265.387 1479242.776 445321.8305 1158780.331 777374.2493 1069158.883 258926.3552 822312.6716 232927.088 1275482.197 Urocanic acid 617934.8207 669472.1769 384529.5771 397241.358 405369.3564 372753.9355 621091.5514 961353.0612 1025365.098 263691.6729 143704.3073 189835.6134 304661.1963 239304.4483 77808.59124 40151.877 53698.38043 291516.3234 187519.7703 71409.41042 280259.8689 138554.3757 232830.8958 359846.7292 209664.1126 465873.0021 441243.6772 169335.3365 157524.5097 104645.9126 158020.6331 72595.51339 35946.41153 597824.0407 168441.8538 283206.102 201863.8636 204452.807 382686.6819 257090.2124 177931.1762 207383.0879 297096.253 555099.6276 161151.4165 192982.3077 403362.0691 448793.8177 529747.5614 425944.2849 183065.3881 582078.4971 456017.9062 490071.2957 Lysyl-Proline 55256.0416 126775.3503 28922.72491 29075.07605 14703.73022 23513.65119 52135.98446 59563.37148 61298.0743 198518.1544 160004.1359 101054.8823 204981.9694 83103.50084 150568.3138 56989.7963 97451.22442 216936.569 12412.77194 16012.41724 9802.327361 13964.77255 8702.176114 9998.067237 11623.34968 13396.60131 18731.68369 158555.1155 171383.8009 95377.81857 140373.1371 175977.0171 134893.6444 199002.3644 71835.96416 77161.2214 30100.75648 21241.52612 14863.98875 10604.60683 10955.09938 9121.238729 8427.6618 18959.90908 16913.69065 9144.915616 8555.373388 17805.51868 34502.80695 69290.02989 197943.1262 26073.08873 161482.6864 22861.24052 N-Methyl-4-pyridone-3-carboxamide 3986.701661 13311.86821 5040.476844 9099.891787 5175.556445 4435.818748 7929.243298 6301.289439 1886.476776 31596.5222 65521.24373 32391.9872 32157.78061 67809.31795 50537.44962 83821.79837 50661.44572 41466.02232 20579.29717 2809.765509 5832.552307 4586.69234 6093.408053 1546.929487 6248.043509 8416.005819 1800.942865 35368.26149 71943.09751 117540.7732 86126.95326 87657.96823 94138.43272 132649.9108 57420.72798 83191.68278 52744.54054 2696.107318 1787.159492 1824.372254 1913.247172 20319.00042 2390.400276 7652.504276 15630.7498 5078.376341 12075.95223 2124.612188 4151.810297 7365.886251 65095.17978 2749.461046 62285.18755 5618.44959 Urocortisone 104043.5141 174951.6918 142942.9505 115884.6603 91300.98854 167208.8292 154847.6844 7594.417491 213899.4072 2618.962071 6909.628711 12499.81475 4570.645668 4525.13952 5150.714773 165.5212561 4561.367327 4400.187715 99788.35508 126805.1999 158372.7991 230961.7864 125784.6834 77530.17111 133988.4939 6523.896737 16377.61032 363.8105179 4625.914742 3686.760935 6639.661906 1590.008721 1932.234927 5560.20928 2505.875244 7232.336488 184697.0283 162959.1036 179718.9706 102262.0342 136648.6512 154886.4187 64183.62555 11660.92167 21142.45859 110251.2217 208063.2673 190449.9138 102048.7434 92193.51173 27119.35495 145530.3482 4488.243182 12734.49068 15-hydroxy stearic acid 28466.98334 32179.7244 30340.18239 28853.31625 30430.66382 27155.1905 24360.04982 24796.44341 35251.7562 322920.9697 298291.3444 93653.38396 210012.2875 131787.478 29741.53331 495281.1519 127499.677 84655.43388 48341.05254 72598.82151 66130.25067 20579.6044 18533.45949 23143.21213 21970.00856 59150.26679 23963.24933 41036.07942 163506.0656 282037.3553 143338.209 175010.1498 164650.2403 22466.76946 177078.6699 66782.68289 24012.73956 22170.71681 26182.70676 21685.8762 23015.0627 20315.39374 25272.37391 48591.35633 23112.68908 28582.2022 130088.8287 24360.77245 23194.15478 21916.31409 33084.66995 28390.26548 358398.1354 27536.24793 Valyl-Phenylalanine 135927.3609 242117.5777 95307.18875 162346.1958 109129.6323 89839.24616 164387.4106 249190.2341 141817.3021 20696.71701 22096.67363 16127.00775 19650.36238 11688.2987 24588.69885 22044.33627 27458.95167 19193.04315 41773.43798 38001.54799 97384.56741 49963.61928 79594.26993 42714.5229 47366.88337 85294.45152 59515.77732 19309.86488 17778.03269 14480.38902 22618.80496 15845.8729 17743.66621 20977.99095 30346.80992 16312.87409 70623.90039 69357.55423 72496.07554 89552.81543 45822.58243 62851.61002 39875.43888 70616.94195 77372.18888 35174.39897 53534.72878 41960.66287 113893.5722 192811.6289 11100.98454 41621.05668 20991.9391 36623.91542 Formylfusarochromanone 5340.46261 2604.151922 5090.588067 5033.89388 6136.602555 5479.108991 6617.718851 4424.987422 4096.490763 28728.19139 19229.54651 21233.75246 21737.12746 30870.66449 25746.75003 32538.98928 62359.47681 13819.06871 9761.897378 9109.31963 7113.658419 7384.33131 7168.026357 9184.522432 6758.64957 7576.162238 9238.321379 27513.82095 16187.72843 21299.57135 16523.26049 26957.31175 17245.57994 21846.39959 35357.88309 29468.36303 5164.724181 5385.448971 5908.40382 7900.147276 6452.295069 8008.300338 8872.103557 8160.227697 9329.493003 9065.902882 6703.710592 5211.810302 4625.799767 4127.613275 19350.88468 5049.602719 6349.236817 7051.967239 Tetradecanedioic acid 43501.57937 48503.18136 42212.25822 96700.84793 60941.08117 12043.51968 11930.29239 21481.14061 16933.79598 26420.78181 28091.8068 23176.34082 23094.74014 31274.36492 707.4410734 20642.31174 9150.052164 8666.585196 31288.27892 46039.28359 22588.17126 44565.43662 37092.68428 8183.256468 5113.25709 23678.14417 1529.598074 7266.153193 18901.08372 29346.91604 4297.671356 17867.60446 5086.48105 6838.077161 14788.31292 13531.79545 27627.40964 57550.05434 31142.61996 28620.95866 50638.23204 31840.61038 7516.482421 21085.90737 71987.33819 6505.864284 17203.89159 29079.44039 17064.40752 19158.29385 1351.514102 21257.0942 10835.69946 32307.15497 (-)-Illudin S 61960.6953 27368.30334 53146.16163 49045.1586 62284.55334 107865.2075 50182.20951 63477.03304 82730.98777 458.2109528 384.2471757 401.9154898 482.3875123 2772.434606 1837.174191 588.075597 337.6818895 1491.161963 20861.52879 13418.31602 32974.99495 43485.46249 28544.26256 21254.63109 17547.39831 15907.87394 18200.21226 354.7739069 573.2459147 638.8892276 1609.464657 928.3783035 437.3469731 974.3823656 789.1105361 6046.572573 71156.75192 30792.96993 45670.15904 27010.09363 27476.89893 30742.58629 25404.793 16834.6088 9551.63403 22317.90472 50977.75244 69638.65357 87687.42647 73250.62948 2211.534864 50867.54713 1973.805752 72016.76985 Soyasaponin II 7316.401039 304.6877006 1040.798984 7293.90166 1289.737312 1019.346899 1626.305411 4476.765037 7515.177448 1007979.46 850431.4471 685474.4471 718708.13 759169.1296 553895.7044 382331.0322 885114.6538 1068122.081 3036.00652 2265.212176 1856.911096 4371.069006 2387.149895 1266.488628 2449.171378 1830.452325 1386.619123 386783.588 531338.9827 755899.7147 535390.1134 768831.2153 498541.5347 366801.2713 427991.2558 558129.252 2179.971851 3898.127739 4770.508756 388.4288858 4668.056978 6336.078886 6534.128447 898.7439008 1484.978741 24719.6659 47601.53378 3388.922417 4919.995921 1127.537897 466946.0014 9879.393603 1100564.786 3830.3979 Methenamine 673573.0833 655146.7543 656651.8248 654551.2464 648135.5812 555223.6291 588927.0074 602181.101 626616.3591 431395.5672 424187.5558 410825.7789 428856.4902 441862.3036 369312.9102 509924.1433 397860.7161 466034.6035 442721.6493 452715.1882 436982.7557 453297.738 428439.9863 442777.264 492336.0222 553117.7341 501582.9438 390740.598 460840.4772 504963.101 504865.2724 449093.9881 446715.9323 395084.2918 473832.393 501201.1125 534670.9938 469790.1461 483097.3607 417350.1017 409538.4291 453197.3067 454373.2015 553906.3709 496686.9502 532598.7034 496957.3272 491338.0446 515473.1281 507830.2998 385163.4055 507390.9756 509742.8705 607776.4687 6''-O-Malonyldaidzin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115158.5133 86902.31569 148409.5271 118088.1524 100785.3025 158782.5327 100814.1737 136411.1868 150497.3207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 411564.1462 289390.9528 48133.84365 295121.0835 381887.0046 103925.8107 374556.2231 165838.4535 155728.2035 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 479564.714 4.07813e-08 353001.4757 4.07813e-08 9,10,16-trihydroxy palmitic acid 31153.35799 30144.1985 40471.11168 71255.14824 47972.40334 19080.82936 9216.719196 48881.87577 17603.4084 38765.65549 59705.93793 25123.84291 36998.05 25276.00181 12.6603146 29995.65285 12286.22409 3967.57045 23793.17548 26612.99757 28878.56587 30316.84762 41853.99868 18203.88623 10798.07028 16711.12372 11650.56663 4583.422003 34022.4159 28618.23939 1604.042329 18980.98284 4408.807689 4372.51246 15654.19814 8662.469874 15812.61295 42268.94475 28555.12248 38391.53461 35565.27336 26217.69522 16418.19769 17247.1878 34184.56917 7201.524404 21665.49006 22344.47134 14926.56745 14097.87408 272.6074829 19187.43152 9148.916714 20409.51732 Norselic acid B 1530.153387 19286.74049 3465.317824 7337.099964 8980.055275 4521.130703 10136.28277 16247.57949 6183.672509 112501.7684 66085.46242 6265.474829 111629.2374 4442.087846 73787.85917 1330.681549 93981.06147 136785.4335 6118.85576 7390.298392 8194.877521 2724.800192 4675.513806 2614.234441 8996.166381 4707.538972 4429.222002 99625.26755 117595.1758 6241.397791 100654.2984 137606.9522 52207.45858 115471.0722 26488.36522 7794.46913 20760.65376 5119.57415 2108.982658 4438.310433 2600.329279 2312.545893 2377.375644 4020.335762 6299.756034 5512.129946 4747.582717 3980.214459 11916.84906 11071.29254 154955.4808 8540.079212 124537.9684 10998.98706 Tocopheronic acid 84754.41609 50771.86263 47578.05088 46263.00264 58987.90314 51359.71297 40769.40668 127206.4419 112530.3721 3237.88786 3588.294519 1775.89127 4152.659679 4903.254949 4301.499707 4069.001662 8544.234804 10465.91643 52714.96742 36184.74993 71819.42052 82690.71557 34371.99235 22276.32777 36578.38533 15270.32037 17326.16257 2016.076681 3739.422528 6181.564627 14558.2071 23656.19347 15375.06798 4177.503504 2503.54455 15474.22988 95669.17697 37707.11849 78280.24349 47837.97772 61795.18156 51543.10934 23235.67855 17194.66273 18870.68547 35076.82018 91693.60255 72207.10102 123913.9026 107455.9104 15503.23929 61297.36229 4087.578017 62002.60291 13-HOTE 66814.77066 65615.94315 83838.06293 78470.20917 131764.6148 63745.11849 50373.90539 47059.25353 47350.34758 55437.81777 52130.98949 34616.64802 55625.01937 39445.29966 62028.94279 38292.76726 33482.77481 29411.8803 61758.85083 50949.72435 51469.08538 57491.02589 56552.88326 59171.83297 48436.94081 49792.87904 40358.52123 27267.1099 34991.89384 41427.32671 33716.08359 37536.49817 45031.91437 47369.27599 41144.78159 33112.84955 57402.17219 46420.05111 45779.41223 43691.70015 45467.4556 57794.66516 53469.65421 45899.65248 66553.97049 35350.93469 31985.68601 39376.72741 41627.32626 46342.43771 32319.08776 50021.51436 43195.0267 58350.57304 N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propanimidic acid 14731.1321 10822.1182 11167.83703 14741.34638 9626.61973 8056.776708 12902.29699 16390.36758 9211.769938 136.7286069 4.07813e-08 378.979482 324.233431 47.04906097 27.81584843 166.2619762 300.6824055 260.6319012 17018.11847 16796.92442 12414.10145 16451.04691 16150.60734 16706.17243 19667.16146 19947.25396 16027.31281 253.6052954 347.3351923 245.280811 420.0686042 636.4410222 128.6018186 510.8792903 112.3356604 47.12467568 68336.45284 11100.03577 9419.616519 19865.6301 12778.34459 17515.1253 15376.29392 21202.76391 18339.80201 13424.49669 13673.88747 9412.774341 10913.06359 13712.4633 377.8839624 9646.766952 4.07813e-08 13711.22836 12-hydroxy-10E-octadecenoic acid 46918.19756 51350.99764 53342.76593 44448.55539 53910.57546 44700.28893 40206.58802 44654.06508 57752.12936 76926.89301 77782.03661 52026.95774 65324.87396 64244.18478 34693.4635 138127.1298 43247.41697 77843.87093 124097.4392 158392.0461 51187.46791 33442.00367 34412.17752 60940.64867 42031.58474 238161.7428 57456.98394 55734.38253 78277.58471 193384.2029 157747.6992 163041.3306 76796.98536 32646.10497 63335.2289 84102.77162 36809.2434 37569.83288 34081.53603 28474.35648 34872.28618 32510.7025 50273.59385 141700.0539 85594.34621 74591.00394 159497.0551 40223.25028 38216.52828 33422.21139 49072.6116 51316.17712 309100.9814 49396.18757 Valyl-Valine 32416.60769 33312.87634 45516.75441 51141.96065 40483.17247 48561.01404 41594.32276 39762.13177 35391.26713 8046.240451 9414.193966 8971.092419 8876.63548 9474.298472 2846.793133 6183.979239 4460.17962 6550.413078 52627.86374 55578.24328 53437.65381 40410.12916 87647.62859 75960.76692 52636.33033 63743.34014 63262.60686 8776.447776 8496.998001 11398.6952 6818.240474 9321.537724 7853.855628 7356.066096 5244.546775 4495.474576 29940.20879 58412.33366 51651.019 73126.27689 52176.87771 60070.13995 72984.19307 58996.63207 62814.33384 46525.75378 27558.78231 36701.34533 38469.85096 31774.07605 5394.865639 35853.6621 12100.4259 29932.59154 Hippuric acid 10248.34643 17473.9318 14224.65867 7642.842762 6167.809951 5006.015305 6471.726717 7205.895238 9918.732334 6697.540819 9163.949531 2508.074755 9292.19196 2371.583625 1711.469817 2459.470994 2483.214948 3096.838165 2856.344218 3629.75007 7627.562872 3820.909223 3000.24992 2546.274887 4479.67199 4016.692831 3064.30983 3586.549512 3884.82025 4147.245324 4626.224832 4657.854632 4892.977877 2932.0916 3314.168602 6856.367841 8078.151691 3949.826519 3100.620896 2626.551492 3296.748707 3408.755357 3074.571513 3503.129816 4422.465161 3006.195723 2635.9311 3357.774204 4994.307725 7609.770088 39572.75381 4396.847746 36532.12763 5283.210354 5-Pentyl-2-furanheptanoic acid 60165.28506 44490.32653 61412.74938 54488.43515 53397.37036 62887.77024 51328.7732 60338.32932 48235.05148 12759.52857 11923.91122 10098.50969 11964.30128 11434.77878 7203.399606 10727.79397 12703.19015 11238.79193 72469.92642 70286.52887 53349.99422 43993.86146 73010.19965 113156.2212 57730.67108 45781.8829 60222.49177 8333.253837 10691.68185 11234.65962 7899.76685 10240.90184 10275.35813 10493.7577 10871.31132 10152.06701 33178.29315 66115.80841 43032.6937 73912.88989 53591.42233 59842.84772 114615.4023 49318.54203 44457.63887 100507.7093 52198.83616 57172.06854 37488.09918 29288.13321 8449.687997 48922.15047 15487.30426 68661.81873 Blennin D 24675.50364 10442.65021 29424.499 23868.99972 6267.995688 54074.23768 59735.35306 24722.0934 22273.06767 8539.4669 2610.58148 103.596418 2407.473712 213.3834129 121.3444494 23248.22823 54.01636996 199.9765305 27085.15831 32862.85457 32474.0063 133827.647 43698.09815 87313.42407 33576.13072 156153.945 60357.11416 411.370461 734.7791299 4446.388646 1146.760292 5305.446634 2475.188887 695.7574325 259.4246798 3875.905341 165568.6647 56336.61622 46343.12949 30671.3287 136138.8572 20883.95059 79228.25131 120527.4652 64766.95679 21565.676 42377.65756 60972.48343 37077.35002 21471.73372 17984.10345 36687.46811 12081.92259 51451.60881 D-Urobilin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 420.080682 4.07813e-08 4.07813e-08 8007.969208 171.4535166 18113.39225 1050.984025 3074.195078 4.07813e-08 212571.1632 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1283.672386 4.07813e-08 955.2907212 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7015.64951 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 278.6975828 Aspartylglycosamine 24250.64069 46687.69628 19211.23269 21898.39072 34113.1764 24091.87796 29265.9795 35363.07691 29550.09948 333632.3054 288879.822 188834.1899 367544.2821 147782.2834 163270.8826 157814.9933 113065.8445 301979.8046 22224.82665 21888.25561 19005.51592 16626.39903 20982.63599 15531.63018 20080.91679 26543.67322 20200.48478 283789.3667 250892.1671 244931.9094 192123.261 313935.4036 240661.9716 293581.1214 95890.40722 188681.6587 22892.54514 18343.93505 21788.7057 17786.89337 14393.49149 23225.41802 11006.08428 28152.94777 13543.1334 14768.61994 26031.88408 21869.03676 41904.67599 79807.41829 298203.6601 29193.38447 238948.5042 25919.0443 Glycyl-Valine 127912.9479 139738.2618 54362.91506 78120.48784 42536.65433 50051.69462 125332.0813 170490.3675 224295.8778 52175.10522 76152.45482 96828.6292 49731.31181 41431.89305 128397.5896 67239.86139 41111.90479 42727.85182 15269.62027 18760.88362 23732.23148 9478.559443 10529.73024 18806.07786 28739.90235 20968.71043 17292.36389 158860.4449 63091.53417 22395.80233 75144.49252 22338.86016 73054.44666 111358.1406 132109.8511 40408.1041 58096.89091 29173.17043 29703.92016 26477.65264 16939.99839 11286.21249 19148.48451 26270.1154 11597.39154 26098.63438 77016.40176 42709.28998 73480.97627 98858.42456 35300.31718 59091.55335 64685.01484 47399.82479 L-Urobilinogen 839426.6334 257001.9126 985638.9755 1347411.934 1299847.856 1031605.966 673220.391 1271997.659 356063.9822 1292.483169 596.376795 852.3743618 1285.624397 1963.948634 2416.796113 1029.549279 4097.772513 4066.952735 678434.3512 1026171.105 363093.4568 272429.9798 311251.0595 873469.9272 525013.9141 535938.3338 310676.2395 1252.310817 103.4440971 110.2209554 733.2934642 866.3872262 290.0319343 219.4336652 296.4271778 4.07813e-08 194316.8694 864698.5032 298082.6026 734163.186 1668675.578 541116.792 1583612.476 555142.5814 176448.9754 1996874.554 286817.4135 552025.5819 377639.8356 162861.1446 4.07813e-08 524522.7531 570.075079 2130402.248 3alpha,12alpha-Dihydroxy-5beta-chol-7-en-24-oic Acid 16251.27843 51859.41989 174467.8829 67960.27046 86771.76334 229085.5723 106418.9385 96242.40292 87363.26767 4.07813e-08 4.07813e-08 4.07813e-08 84.86970975 4.07813e-08 80.13758888 4.07813e-08 4.07813e-08 120.4489647 295303.8146 166237.9189 343161.4116 196794.3937 243491.0035 222691.4399 220097.6462 91510.3045 68773.21683 4.07813e-08 4.07813e-08 4.07813e-08 1450.973399 4.07813e-08 4.07813e-08 5515.863521 4.07813e-08 247.141416 64584.41059 53413.93463 187583.3867 209023.2159 116417.7537 256898.3226 207300.6485 71753.9701 105362.4173 725699.2991 355453.8745 206932.1266 94907.26556 57667.68598 729.4377931 215548.1988 484.3350671 135672.8598 Serinyl-Isoleucine 221389.9154 327866.2334 141266.5881 238773.5086 93056.08981 134747.1479 257054.1368 288107.9974 269665.7934 47290.3406 54507.50155 43694.72682 47018.51779 30654.47916 61691.38132 59831.32017 72331.11757 37451.0641 31655.41045 35084.56492 106203.2918 33913.70042 38111.44593 30094.45941 51241.51402 62105.24541 55069.49299 36152.17161 50053.54761 36196.63743 57854.97596 50745.22563 43120.63242 55475.46799 66090.72325 45821.92365 78674.01094 82141.36405 103860.4929 89840.84543 32652.86711 30423.44077 29119.54667 56071.26272 34810.66671 37195.24301 96571.64779 54472.08577 139704.5516 257652.2894 32448.89845 53858.67794 50205.33589 51786.94441 (R)-Higenamine 8361.083672 5401.205249 4243.364271 3866.305373 2645.141052 8263.477447 10107.94169 32526.88668 21372.69421 3266.462133 2867.74883 1215.461379 3405.157424 358.3988698 2491.903978 688.160089 4008.030045 11790.84942 3011.346881 4118.129175 2580.95246 4145.850256 3946.017869 4311.954298 2994.624198 2515.704989 2739.471078 214.0252299 1362.733673 2434.900563 651.3055393 1497.375478 1377.120514 711.3355173 248.6337099 1189.918643 2549.08948 3357.056745 2296.794803 2758.552782 4750.688588 3514.008085 3082.640488 2400.525646 3066.978264 3020.311319 2156.96354 3099.790091 2112.228477 1836.953678 826.9073193 2223.563083 1016.658306 3425.448337 3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid 4.07813e-08 20776.65892 389.0448624 313.0952025 374.1342778 9223.233616 32483.43191 17795.80394 4710.698113 1441.03648 918.7312753 4.07813e-08 1984.969334 161.2845791 729.2552248 4.07813e-08 1535.441234 2100.907431 584.0231544 78137.4422 4864.025837 17318.36417 2473.609901 28096.50116 186242.353 4.07813e-08 4777.95947 1163.70494 2152.138804 4.07813e-08 1088.222483 2118.536519 635.5010117 1202.516472 4.07813e-08 4.07813e-08 4.07813e-08 49401.90136 10012.15279 9233.119015 26905.44439 793.646765 30047.89698 518.6257152 2514.992301 362855.1789 70377.05436 96.42465254 20967.52256 5402.480797 3140.708683 4.07813e-08 1446.483659 3404.197598 L-beta-aspartyl-L-glutamic acid 498.4770131 1410.254681 435.7150044 73.09957154 4.07813e-08 419.2663712 371.2942137 906.5759263 890.3930608 119353.4292 144952.5042 91760.02697 145285.2875 111603.0485 90576.64921 107931.4808 104693.608 158154.5916 1279.469651 6465.933464 1117.958774 417.2695522 368.5320618 9.736266176 22.25342247 9.451145399 777.7696501 114930.0577 116151.0626 252148.5049 69891.60414 234070.5185 125787.4008 94540.65311 43322.91367 198870.5797 4.07813e-08 18.6133504 23.83835961 0.089851452 42.75629262 1264.677204 0.101879979 4.07813e-08 14.52773293 1388.277141 4.07813e-08 739.798322 2315.396537 8449.886182 159248.0778 1290.816558 209211.8662 2164.141943 Benzofuran 321420.8147 363166.9949 224538.6018 208429.0742 170866.2857 208175.4062 341339.4745 526352.4551 737317.4794 179765.8099 205722.6536 318918.1655 202077.0947 168961.4858 240799.7615 228951.2686 301688.6678 472228.1926 106772.2076 107632.2662 238358.8937 73490.1863 153611.5187 123836.5338 190621.2137 106576.7292 132429.0668 605761.5112 274722.6851 279602.651 499078.5225 236418.5791 145755.409 239684.5642 366731.8609 226181.5892 314662.6857 124815.0339 136481.4677 192728.5333 125359.922 96193.06395 172495.6303 134947.0098 72530.36703 225449.2169 268915.6074 269278.5373 252758.9641 331075.6291 184445.6877 324744.5801 469219.8098 205561.6696 Valyl-Arginine 7939.088059 32194.50167 5217.154074 5496.349013 4257.477645 7038.552532 19620.62202 13825.77683 12826.87826 85935.16049 68667.55246 33770.25627 85407.08744 28234.62858 66014.61828 14882.48001 38355.76129 92910.67972 1809.532268 1532.223043 1392.614738 1353.113374 1402.871016 1143.49555 1533.389448 1558.868743 1869.979538 56243.98922 62137.62896 31505.74356 48268.79323 65986.88258 49124.98461 75574.43049 24002.40392 23812.26779 4057.493145 3218.123965 3717.567431 2789.386992 1708.404491 1244.852979 1447.939002 739.4571777 1052.070993 1966.487783 1461.278648 2863.340687 6827.600388 9804.53259 78494.22925 5102.613939 64863.37145 6002.559405 gamma-Glutamylvaline 16288.11681 18684.519 13107.68148 11155.03491 15566.68534 11373.86695 11314.9897 21759.81237 37355.14312 89956.72574 70042.53732 56822.75359 87454.57914 26085.02128 31399.25661 39585.93863 61094.2868 73852.99171 9808.927609 14707.36867 14596.51978 5905.679768 10403.57425 9603.259667 20382.16362 33900.44162 14223.1154 83874.10497 59113.03355 49447.32999 70847.07951 44042.8009 71257.41356 79001.38804 41107.56848 55344.47548 25616.65782 10650.05856 10349.3502 11925.07395 12123.68354 9437.409226 13075.22903 37650.13121 12429.88356 42037.48625 23165.70617 18873.31616 22174.09485 23993.5549 57258.59122 23696.66526 82581.17731 15210.55457 Glycylleucine 223230.1588 259481.0409 96414.88336 152651.5564 79946.84928 90399.48156 234041.7494 323385.197 422356.2495 112011.2124 150654.1722 140717.1045 110687.7274 62734.80761 161881.6423 133105.2666 104797.98 65199.14947 27538.8787 29236.51136 49380.98539 18252.77877 11577.63021 23570.53656 43004.26232 44316.90599 27808.33442 182372.3128 82727.28782 49454.82693 120844.3863 47166.66926 90069.60319 122854.1415 240729.8522 92893.94135 92883.34403 54269.98771 59485.01989 42749.05458 27361.35411 17092.56253 24529.59009 46919.29127 20818.03245 36040.28866 120376.5206 66606.72125 116229.2992 172430.2872 55237.41526 91022.4732 116446.1099 73118.50325 Tyrosyl-Alanine 58033.85233 92317.99043 32305.41951 60156.11585 32773.2401 32586.24617 62122.69892 83705.1083 72271.12527 23478.6161 27591.73975 19353.51586 21460.60256 19077.18422 26471.24718 21227.16404 43497.8758 21404.06647 11579.40197 14437.95107 32257.08352 11764.88144 12064.12919 11541.58971 15375.3776 16740.91984 15384.39874 19358.83671 21229.55943 15767.74186 24269.6591 20456.61539 18078.91322 22588.64217 33282.53454 22325.37457 28292.41576 21246.43135 24809.36159 26266.21684 10985.61432 12067.02867 10852.72509 15452.72707 12419.63791 12138.59108 34132.84488 18696.35144 43146.76196 96709.24512 14286.13547 16937.05701 22254.40841 18436.00484 Artemin 11878.64262 7586.00308 10895.30106 11922.29117 14396.40615 8007.66572 8020.73635 23246.43063 17074.917 1313.717847 1044.121037 735.6532884 1624.843036 948.0348206 1062.541652 959.9969826 791.8612591 1241.601424 20134.16811 15262.50247 26037.91934 17970.32021 12168.90553 11326.57829 11208.52446 14881.5329 23274.18687 873.6295891 615.045782 1306.49089 455.4583682 1137.548262 795.3255138 1096.266535 810.7571434 851.1955182 10848.27134 12915.79204 12136.1122 16322.80786 16605.26192 12441.40546 10523.84614 16584.21525 26549.68567 7583.808159 6257.031892 8993.685194 12105.8479 8144.035742 1847.170763 10495.74642 1333.342167 9092.15445 Theaflavic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 644.6580858 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10.91682501 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1759.698546 4.07813e-08 22.19728902 9899.140336 4.07813e-08 4.07813e-08 123.9805149 147.8716542 553.0878289 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.445231261 4.07813e-08 10.33562991 4.07813e-08 4.07813e-08 10.83299627 4.07813e-08 4.07813e-08 169.9961842 4.07813e-08 707.1785161 4.07813e-08 144834.9992 1721.082218 Dodecanoylcarnitine 173444.9361 139667.0691 100212.8202 82165.78451 62662.17271 108383.5685 139914.8437 189372.1527 150536.2833 96947.04674 143392.9515 73324.61017 87825.53675 70628.42501 166975.4354 27056.45345 113493.6426 127919.5033 149072.736 99871.33216 139377.9216 125191.8417 162452.2949 109939.7418 153363.5524 170546.5814 170180.9317 94678.39453 133109.7428 103093.5671 114404.0632 169109.4467 111739.95 123174.6353 80299.08983 71311.42154 177369.8133 155031.3535 158913.5994 159515.8597 111636.4609 161361.6743 113466.4811 166749.3739 118359.8403 84351.7652 77118.72288 142383.5223 143256.6619 154560.5496 163448.4012 124400.8475 103568.8003 99958.4263 25-Hydroxyvitamin D3-26,23-lactone 51994.51989 28704.81228 44918.43182 40217.29709 32431.91942 40363.40719 38043.22367 55857.57637 51297.16448 14362.37779 19082.67602 70393.18891 17477.41695 41634.93311 38621.83661 20831.55564 95200.50467 90561.27223 52502.63415 50723.93906 47795.43015 54945.12676 34177.37896 38699.68098 46733.02404 22295.68547 17478.05245 73515.58364 20714.8774 25319.57869 3658.431103 10427.58541 16734.23271 19829.96462 61078.2122 40774.37851 41812.1794 27029.74125 33871.61589 52778.5628 55526.66455 36327.74312 38310.13274 20846.59829 18341.11361 50740.96091 45655.29621 87188.2091 24240.5201 31958.24054 31369.4625 49937.76465 6346.286181 47797.53083 gamma-CEHC 16315.83306 8294.775864 12403.97867 10349.47719 8003.781792 19132.02272 34070.28768 21508.18724 24442.81971 263.127667 486.5644135 625.7826304 411.0185793 665.7374542 603.2524887 982.2329397 233.426041 870.841515 12505.5181 8796.608156 9343.731937 15166.76543 16117.11951 16208.19631 12157.94216 10800.3936 10405.40973 1078.029646 1020.702148 871.526644 514.2235902 1057.611433 801.6541426 1095.764225 527.5026581 1419.562382 28042.86742 10798.63824 15682.60571 8944.03144 11499.61038 16070.27506 18196.17677 11574.5224 7748.54456 21117.06999 25044.61811 37212.4765 17986.28009 17359.62732 7216.123391 16488.06597 1922.530466 24425.28275 (20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid 31691.74152 40836.23393 28242.65837 11823.73451 11358.16451 33190.28701 11496.7621 44831.18973 48436.82861 15440.21296 1303.0599 49291.11484 15215.58076 86478.8688 120141.7563 19267.20117 62174.10312 95029.76229 37603.34052 21063.52623 27682.82367 21843.64477 9633.397048 6024.084158 5463.09462 2405.281359 3130.65294 22840.52716 31708.43309 4217.851998 52364.27367 21911.17025 9561.965323 45000.31879 31781.55028 21410.599 24950.36135 13064.09478 33898.88051 22433.87619 11757.50528 17032.82159 4396.413247 2763.588083 2901.510214 80529.5285 158558.7505 45201.26319 63261.77264 28604.33082 33715.48369 47828.26808 9476.180719 25058.48241 L-2-Amino-5-hydroxypentanoic acid 37447.24838 35020.42225 36776.17927 39756.60793 37453.19817 32637.05271 27258.43027 36716.19378 41630.65979 7614.867689 8113.255701 6268.252836 7501.47363 4580.079485 3207.67211 3917.811956 5862.413409 3784.243682 41543.49199 49089.12528 58104.64458 51642.5748 36075.29382 29227.22382 44421.49093 142188.3255 177926.5892 9407.982235 7826.3044 3721.918362 4731.265021 9911.966161 7548.542607 6671.081116 3714.421149 4654.158605 51674.35306 51335.14752 45045.1797 37513.10792 67109.9861 43827.3711 28593.94391 125585.3895 73665.23626 22705.97467 19398.20684 29089.92303 32539.65016 39581.59969 6732.141115 28685.70357 5385.417224 29967.62378 Petasalbin 145545.8361 140389.8086 150045.2059 150251.1189 148269.0791 141069.8858 147416.1528 124009.4241 130464.47 145727.6098 140532.9034 113730.6363 137987.5631 132576.0549 108613.6711 142858.2772 126487.1844 135596.0023 107630.0523 107210.2559 105122.9319 109413.0067 112125.6353 123766.3937 104417.5695 123102.4806 109821.0874 95660.81634 149008.1165 162644.4887 167970.923 148796.8883 111483.6532 99613.49626 117986.0752 131586.2944 126165.6097 110032.1451 120603.0989 110170.8277 85127.96697 94620.07156 104209.8213 133094.6011 112627.2526 130357.7783 132185.0749 131789.7415 104035.7873 109476.6881 127652.8645 113550.9913 190464.4841 140103.8873 Limonene-1,2-epoxide 776767.8096 763428.9618 734101.6479 724916.6366 703009.6175 585803.4983 608369.4456 663520.7105 699809.0891 474428.9108 461847.0638 440316.456 451723.3828 463163.8306 379923.5251 557584.2569 432340.3033 512841.9088 497120.2604 499809.361 467671.3108 470225.3665 436802.6204 454352.0885 527000.2989 611601.624 567165.1301 420439.7234 489187.0562 512938.5257 517171.6018 437639.2407 462114.5051 432454.7163 526039.3636 567892.1745 580840.3691 488223.2448 498846.9845 438565.5444 439275.5369 485412.6152 516229.071 636857.2145 562708.3143 564538.4356 525446.9172 496774.9405 551924.8831 545595.1756 416529.1754 568645.9749 585037.6084 648516.9342 Genistein 7-O-glucoside-4'-O-apioside 3547.868491 164535.1302 6529.113471 40762.85827 5208.451625 24440.22726 105905.0789 65264.4765 31893.29821 1271526.306 1185228.904 951867.7995 1214830.347 1025505.703 656548.3409 725386.8116 782419.2257 937783.9432 4.07813e-08 4.07813e-08 4.07813e-08 21417.65911 4.07813e-08 4.07813e-08 38878.82105 4.07813e-08 4.07813e-08 588395.8044 706179.4984 1125505.832 524786.4955 793021.0715 922445.5319 711252.6027 757987.1519 870984.2736 195813.7825 918.7649886 311.527231 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5162.860308 6692.236187 46972.80865 89784.1202 829189.5613 27308.48364 690048.3593 41030.92726 Genistin 4.07813e-08 4.07813e-08 194.4002445 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6604.57266 20642.45836 18572.65447 4883.264295 27766.90575 9352.94823 7108.679708 17171.52314 24723.18083 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9310.619706 18288.3898 27417.64823 12791.19272 27120.37893 12093.80107 13664.55151 10585.35559 5099.890246 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13111.15576 4.07813e-08 12600.36424 4.07813e-08 3,4,5-trihydroxy-6-(2-hydroxy-1,2-diphenylethoxy)oxane-2-carboxylic acid 7461.208405 17225.69779 3632.185969 9240.227835 9968.528453 2786.750307 15907.54297 6945.496196 4865.223279 943.5138785 1431.780728 621.2588642 2022.310677 708.3361191 275.8093622 539.9054217 93.02646173 1211.202967 718.8735782 3479.008244 2064.116376 19424.41929 120.6064536 409.0119764 13555.28678 4393.814648 175.2248419 233.4303894 960.2366775 1239.347885 993.8875391 2904.487857 362.6262904 412.640305 4.07813e-08 300.8987725 164911.7613 3832.242106 4523.948571 665.30691 496.8469796 1143.591498 357.4790261 6365.546328 8812.648363 3080.676586 1689.183467 5312.486181 15361.23458 14570.39859 1496.198842 7191.65955 1051.584562 4965.420867 3alpha-Hydroxy-12-oxo-5beta-chol-7-en-24-oic Acid 162099.1343 229053.9293 229379.164 189352.8076 213833.6578 164621.1103 199333.9107 265193.0477 293930.4977 126960.3071 9773.717788 227395.6213 151505.4513 287314.5169 377741.9643 71224.74135 93527.11014 818692.0392 168493.8757 167585.2041 177745.3419 144002.6474 112597.7144 69725.92975 130189.8091 112943.5325 150459.5907 49152.83528 122519.6813 20166.22242 56396.06952 37943.47735 41151.78957 93896.64153 30585.36427 77380.16774 176409.3724 124520.488 201369.787 193182.0458 105080.1281 156862.4133 66141.6263 106405.6945 131345.7122 473365.516 287121.9765 191199.1576 331885.9423 208900.0043 167787.8087 277398.2919 69696.68968 330069.5008 2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol 13552.58488 3268.400137 7600.631803 4131.674459 3019.897207 17533.83806 21531.87139 9289.804203 5581.313241 2567.715984 1171.805135 983.0252264 1940.049999 1543.536608 2653.02366 1578.86392 1583.242604 1594.672698 3271.477196 2489.23373 6013.261023 9832.658285 6915.860036 6457.838374 5321.475885 2629.819127 3146.335655 1013.423064 1496.685953 1391.006032 2574.005184 1267.287805 1333.306695 4747.053975 1829.123119 2145.380938 17187.38774 8009.986068 10171.08311 6781.329748 7521.289348 5754.389821 8244.170788 2937.415642 2078.203855 3256.142063 4570.778344 10279.68098 9543.989126 5679.111447 4855.529708 6029.887283 3468.357204 10994.06507 Acorusnol 6604.798112 5562.141978 6454.471519 6449.358113 5070.855621 8177.375125 7229.601713 4856.240298 5314.955655 5522.829238 5718.909992 3919.272841 4950.554533 5022.091126 3352.124392 7706.109723 24494.86346 7319.589473 8119.774118 7502.309394 6303.462427 7702.99735 7662.026049 9500.344541 7634.311831 8639.120546 7932.847905 91920.68458 10882.50128 7614.534225 10017.60806 18956.25266 17398.56419 7781.019382 31883.0158 6311.43671 10802.22323 6540.457622 5526.408778 5939.775823 8176.058809 7056.600845 9265.116341 8144.886014 10683.08768 7487.600751 6086.991625 6884.796849 7699.860917 6783.930759 10170.90424 7404.224635 22392.74837 7966.848986 1-Methyl-5-imidazoleacetic acid 380580.7427 501276.6441 548608.9097 580850.4482 561849.1111 390905.36 515231.9592 424905.0295 494565.7256 54963.04044 32072.67662 28356.43711 53862.77084 32240.744 19718.74973 20410.77096 43594.8717 32266.55746 333185.1702 433446.0552 600303.7397 402924.0863 404243.291 415982.7549 434789.536 913408.9299 931216.6226 20540.67326 47335.11563 169485.2229 31023.74758 66501.78788 128283.6467 41946.29439 31652.31771 43483.61585 807171.7743 479278.6881 462700.9222 587921.3466 356865.4319 306422.399 408905.8658 854397.9268 547746.6819 785750.3484 378800.7918 432444.3022 565032.5748 1096476.409 37977.32975 552404.7973 28436.25637 427159.6508 NICOTINYL 13184.49763 20671.28799 17995.00724 33144.79211 20027.35527 13613.89995 16889.73493 12972.23511 11959.72158 1797.72577 1640.09123 1296.49944 1612.815575 1859.327605 1592.806473 2180.754671 1180.98626 2005.468665 4336.191849 4303.256986 4289.55514 4721.475392 4134.971909 4258.056875 4773.56483 5318.464082 5349.211275 1188.441584 1739.984178 2030.561885 1600.25309 2016.355814 1708.298582 2103.566448 1515.213535 1517.188454 6232.915753 5981.621593 5471.855512 5246.751309 4359.851675 4284.363871 4744.221982 5487.927909 4740.791574 4519.546692 4902.988478 7649.197168 8183.642511 12511.26754 1702.612142 8635.753041 2879.141799 8917.378774 Arginyl-Proline 2977.569674 56074.87642 4530.212697 4929.840829 3696.233687 7279.601351 17512.44573 16335.27207 14801.92028 304465.4336 220998.4422 154198.0153 292764.1225 132560.6886 199699.4118 73906.82845 130476.6802 274525.4294 633.504697 1512.693889 1043.880139 1102.547764 294.9016002 301.0534393 706.2516849 1413.341012 992.9988184 191632.9448 206378.1875 138178.6575 175859.5118 236440.9956 207225.9167 234682.628 111217.2826 117530.9926 566.8044038 1076.572392 1494.813061 633.8306928 716.1186244 738.2504604 655.1455468 1021.639265 215.9810224 686.814523 801.6132596 3301.12503 11164.48296 23188.00472 234458.9478 12325.10282 201309.3353 16667.70188 2-tridecene-4,7-diynal 47902.60069 48889.08964 46111.4547 48327.61811 43929.18863 41318.3908 42031.1304 40719.10045 43649.09665 30196.08596 28574.51126 28309.1643 31249.41807 31635.43824 25503.05028 35351.03964 25442.53932 32272.59669 31341.60867 31244.45629 30639.77858 32244.13064 30476.55446 30089.25223 33923.79559 37573.98056 36202.11467 27158.20404 33011.10596 35935.00906 34184.1574 31012.63566 30628.36135 26201.70486 32953.96659 35607.65487 37403.95918 31952.37677 33551.12532 29079.26364 28683.91891 31214.41037 32300.02065 39166.38585 34204.30595 37079.28202 35777.76511 33586.87993 34539.94082 35161.62309 26794.83289 35518.73853 37158.9925 42828.67028 Valyl-Methionine 50219.33775 72615.4116 34819.64787 67833.70389 29873.92561 39427.58111 63228.49246 73058.66926 72531.54928 9443.649681 11402.4381 9263.112564 8528.032154 5715.427572 16618.79859 13648.02977 13840.97152 10012.56271 13602.52965 12695.52518 28097.71553 12066.63385 21495.56406 14221.29553 13166.79236 14803.80483 14210.99107 9223.787998 12090.22839 10642.0807 14609.27406 14118.47857 11050.62873 12533.84579 18283.63715 8076.311776 19057.59197 21311.04708 26943.98481 27035.4661 12892.01697 12595.12326 12781.34849 15314.36015 11822.66327 11736.44199 21410.76448 17214.31663 33645.91051 64802.21116 6762.550325 15290.87561 7153.432149 13326.38052 trans-trans-muconic acid 47062.39202 48357.17821 45203.51528 42328.22262 42141.50901 34320.30664 33824.36199 46174.91459 44420.10244 40035.8782 34323.4288 32217.23852 37180.9596 34145.90216 24489.59905 43508.90521 33810.42192 40025.78916 30671.56085 31046.54778 26557.5583 26200.35843 24488.86015 25683.54126 38396.35955 41077.63432 35473.56797 27788.55901 32908.43099 37239.96467 36680.53944 30960.93827 37148.80493 40106.68872 37513.55641 45153.86818 35752.91122 29820.21866 26253.27504 28419.14265 31785.61973 34360.70768 34474.22937 39016.54481 32244.12896 33453.40837 29832.59651 28988.03947 38184.58873 34210.3525 35952.62466 34746.89002 38914.83074 42306.73903 Glycyl-Tyrosine 93153.45109 120877.3677 48063.36081 74998.73708 39686.44139 47005.06417 112990.5157 146011.0381 192751.1992 18687.50871 23609.28107 27055.3574 18319.04302 12102.53951 22261.04978 10875.17417 26696.27616 24476.37928 18602.01288 20536.55081 33860.51777 15455.21324 15158.83745 19195.67871 22029.16355 19786.57988 18703.72412 41695.2029 20547.26691 14434.31282 22551.50298 14647.04164 13273.58098 25764.80118 43101.16373 12591.81797 40742.61028 28427.7296 31717.70159 29063.78296 18947.65325 16156.58622 18206.75661 20562.00529 16627.77132 23087.48379 52649.79569 33107.94026 57103.84392 82053.20276 10756.33509 41267.969 11162.63498 36564.69548 5Z,8Z,11Z,14Z,17Z-octadecapentaenoic acid 17108.8092 19265.21296 37414.73328 25213.12937 32637.65394 73083.27589 48332.59262 43270.33075 43787.51412 4024.504696 3508.337547 3042.646248 4445.722415 2721.715932 5309.724207 3992.200106 4329.056486 5254.873996 33563.50033 71469.62514 48782.57925 55039.49432 51812.52147 71762.41861 44137.34033 25741.38593 12555.5974 1987.974316 2656.344321 2778.432425 3098.057958 3389.810853 6702.630481 3367.268729 3617.547326 2869.985996 32957.34968 31042.37483 32242.65905 42227.55546 67056.21572 30058.08757 59660.70888 24435.11081 9935.697328 107016.1886 60652.71394 80009.91283 34069.4783 32455.80911 20600.34693 51880.3093 6651.641179 41476.16215 3,4,17-trihydroxy-9,10-seco-androsta-1,3,5(10)-triene-9-one 41836.43964 64360.06056 45343.65087 41528.24854 33602.57013 62926.83601 83737.13683 27704.9506 90277.55082 4.07813e-08 169.9692324 4.07813e-08 4.07813e-08 138.676867 640.7632858 4.07813e-08 164.0315734 4.07813e-08 28060.18827 52323.26675 36290.86409 47774.94162 49953.34535 26963.81677 59461.9795 24616.92298 20274.31087 4.07813e-08 4.07813e-08 179.9404049 183.6663238 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 367.9648929 51781.34233 59912.03609 38700.9606 28212.87173 80785.42012 49667.19611 35776.49532 11957.31906 9684.265822 21862.11321 32489.95725 80661.02815 40242.31957 39869.90982 75.45953033 80127.95056 4.07813e-08 41523.43268 Butyl salicylate 38627.11899 41125.16 37829.42349 36680.22347 38138.02626 36387.17865 35751.11486 35563.52685 34499.97834 27884.13933 24213.15773 22077.62969 25387.96793 26540.94089 22211.87216 30299.40676 21717.98372 27451.90882 24360.32933 28741.11084 25102.12031 32194.22947 26676.95862 28164.48398 28659.13906 38344.7466 31457.66228 23757.88039 25853.36817 27934.23875 30386.52888 28028.7133 25153.1522 23321.23987 26733.1242 30118.44879 38264.8125 30635.32511 28792.90295 27646.18069 29743.60231 26766.90989 31057.34486 36081.53238 33848.64782 29653.46277 29717.70548 32518.86418 32258.08887 29169.3526 23196.52025 31505.68713 30218.32798 34134.86974 2,22-Dideoxy-3-dehydroecdysone 242.0566725 9631.950333 7471.122619 14546.02308 3791.918689 13265.54225 26849.15737 3268.096099 5829.865114 726.4787127 236.3447835 3207.01892 1255.316228 657.3742255 12159.84985 1562.805208 2256.20246 2808.658224 12530.00022 17214.24535 11438.41681 16539.5784 21429.65561 26034.11043 17463.63402 8285.135309 11549.43255 96.88469044 1887.60991 887.2076953 6134.983142 232.8033869 4.07813e-08 7928.479624 4.07813e-08 141.036625 2835.131375 25064.57872 13648.13196 14059.43062 20380.44717 12978.8306 23274.79602 6934.577991 9981.994755 93521.76373 16492.59535 17217.45144 5926.376103 2836.042289 1850.494608 7463.715726 2428.84105 9888.950447 2,3-Dinor-TXB1 36106.78319 39738.19923 41354.15852 41024.54403 40149.94047 34570.78715 33427.88071 31599.03783 42456.07798 33590.97756 24619.72944 24207.10969 30885.53923 24577.23094 20825.35243 31646.05133 22982.12307 24530.95462 40625.51832 38566.53252 33648.42391 32822.45893 29958.47397 38112.95677 34121.62074 52394.95044 35578.36741 21401.49979 26729.35738 31074.51148 29846.66284 26717.66086 29186.73913 21751.29005 32304.48568 30088.61835 33868.66567 34187.03018 31769.77678 29149.35881 28721.15176 28254.20451 37110.14953 50233.28276 47027.75841 38677.9362 37561.84982 31630.46085 26931.70384 25534.04132 22140.68305 33583.01013 33176.73755 35598.88272 3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al 21090.67639 13590.5524 17231.17513 37528.96484 58104.46357 22392.30561 13090.53208 31087.56483 32728.86598 56.7289945 182.538132 376.0884961 12.28917109 85.60567753 175.2592288 221.39133 13.07631381 145.1221851 44537.65597 110930.0584 47277.65241 109842.1282 124416.3769 74163.77951 39575.73238 41623.48388 49408.99356 193.7841765 222.5786475 185.8947933 40.62456616 356.5266807 5.70080786 22.16545656 22.22830269 351.7011833 35544.37787 73648.11939 51073.7241 88406.12517 130687.4926 94833.9234 77482.57649 37059.86334 64918.42888 94638.39642 42695.60977 61366.80973 25168.6208 30013.78737 511.3515529 30150.51325 787.1526092 13966.04425 11-hydroperoxy-12,13-epoxy-9-octadecenoic acid 60990.84334 48898.71298 40454.17575 39063.42534 88008.8953 57134.3916 61995.82492 28661.15939 38334.7769 33430.98642 61673.00534 14602.96639 33728.56905 17314.80513 280648.2962 27309.00251 11042.70934 18550.91459 46309.50463 42070.49514 38691.81769 41662.78308 43249.75403 44406.5976 43641.89798 43403.00511 47756.6262 8785.50998 14428.0768 17980.86978 13660.1434 18629.30892 16546.65779 16640.85046 11726.27826 13499.07313 34124.59475 38312.81928 37009.0382 37575.18465 39421.55543 45793.68975 43789.46552 44685.15961 50685.19633 75207.1814 62693.73212 46372.80579 37381.90244 32970.04952 19325.33256 43582.40227 21557.96489 49683.59818 2E,6E,8E,10E-dodecatetraenoic acid 9306.802066 7756.941161 9217.712171 9583.839223 9097.894506 7572.295183 10694.97688 11885.77696 10698.5881 2365.529607 2530.623489 1146.310852 2146.11979 858.2912091 1908.203479 2119.293972 283.6176904 1712.940977 7623.919843 7814.221929 6316.272452 7016.50583 5392.217887 8025.429814 6895.317008 7681.218873 6836.118519 4.07813e-08 2364.745763 3059.253475 2182.904334 2947.115009 3025.427317 2892.828826 578.7317618 2891.552862 8151.853878 9031.39832 8299.291147 5182.267725 6632.43025 7400.528465 8002.24315 9047.703215 5006.941819 8940.644318 10830.21223 11632.27309 9300.662174 5946.111919 2276.311622 11062.76646 3405.223894 15519.52046 Acetylenic acids; 17-Octadecen-9-ynoic acid 22378.37279 21846.33347 34345.01438 47571.45183 45532.01457 21178.28615 12870.44599 38355.98742 20376.48954 12060.27579 19760.28613 26798.92916 10518.24109 32994.39923 13399.00779 116615.8439 88771.66877 22331.77136 21843.59628 12272.13393 27572.12745 17284.25874 33191.92742 17347.21065 14188.16911 21287.70408 14736.43734 30913.46357 14484.01583 37056.19203 9980.573206 14588.9903 12552.76691 12764.58024 69247.75715 25009.42672 15648.52034 19024.45301 21773.41314 30097.18235 21720.40755 20779.40132 19109.82079 20329.94181 18260.25095 9601.123685 11649.69787 17486.99252 18436.38624 14424.51149 5840.571151 21323.90838 12967.26355 20197.68667 1-Aminocyclohexanecarboxylic acid 122445.7338 155734.3744 85293.35357 82023.65406 57511.60666 85365.88998 89939.59504 106558.6278 93429.06941 171915.1995 146244.73 38827.37528 190785.8473 33536.2571 39006.76352 26359.60641 42035.60352 56764.96695 231393.0282 185185.0394 239162.8997 145563.0441 165176.3344 180147.6205 138809.1468 272602.8818 235443.1063 72428.45521 122276.7943 34964.38781 139646.7201 79211.80062 70242.75913 381268.7715 577815.4962 56828.08841 170911.8849 196709.4224 187804.8459 184741.4954 150128.0339 152939.5432 173255.1752 298372.1394 169489.6102 358243.8828 195846.6149 142394.6574 237565.1117 150821.5885 81032.91533 149728.6504 118935.0767 144711.6428 alpha-(Methylenecyclopropyl)glycine 94739.81342 101850.1559 93115.34473 83332.24375 85489.26898 75609.79303 83089.62246 104003.3268 126417.1107 114779.8031 109973.1714 113530.4013 118542.0273 106939.9499 90568.3888 81075.75225 97882.25154 121220.9425 93656.5661 107237.1819 83654.57625 66233.40648 74905.51686 154128.1546 83818.20949 88932.72605 107080.6032 114001.7439 116812.3594 120175.868 110238.9977 118890.8862 132916.0401 128836.2323 86009.95824 108743.3432 75917.2211 74220.3921 72453.29642 83029.62643 75510.82726 76824.21003 136501.396 101039.9451 85241.09908 357653.98 227552.2858 84535.23998 87446.86378 86069.21881 115720.0156 92500.65073 117407.1601 94659.4833 15-hydroxy-9Z,12Z-Octadecadienoic acid 168275.9107 175504.4674 190934.4055 184657.8436 184779.987 149217.241 129881.1328 156120.2562 169319.482 194171.012 160151.0172 121119.0754 177704.8159 123923.3606 140664.064 239456.1814 135246.9091 139045.2033 144750.9286 150254.6721 125958.2874 126015.8259 112938.2169 134562.1518 143190.5399 316403.1135 143493.8789 113716.4899 139114.0261 159942.7488 153322.1178 126501.2065 160809.4105 129097.0806 210508.2862 145381.0055 132140.4598 130475.7765 117394.9377 95402.37725 124656.2166 123213.418 140564.9793 303216.0152 194583.6099 132986.8006 141697.2115 126888.481 128260.245 127904.9039 113118.4074 143680.877 214189.824 155391.6646 Porphobilinogen 9312.5281 35143.33334 6887.733849 12002.15401 8933.633132 8108.816759 12493.55642 19924.47 11377.74844 191099.2053 152940.7107 125193.8303 214028.2237 108347.037 101210.2447 152422.1655 97468.41069 161077.531 7282.27719 7902.957367 6652.949491 5946.220867 7745.616117 7942.768518 7146.899613 11297.67837 8211.261598 134743.9358 132167.8265 128317.8069 113279.7626 172394.692 121934.8364 165073.1374 72865.99373 126151.7795 20326.27976 6725.013146 7654.348014 6606.444103 6352.133374 7327.988552 6934.036497 11326.52652 8888.94137 6624.808964 8278.066311 8096.558154 16593.5432 30990.79558 189713.9422 10522.89242 158444.5048 16469.17009 (2S,4S)-Monatin 634.695377 682.5601937 883.4847731 601.5898049 1002.519567 875.6197697 450.4735549 263.4822011 233.1410495 11739.57703 84732.77742 3218.215295 8854.726579 11284.15511 28931.34176 97481.81692 4579.825982 7417.969043 2507.877958 1842.464815 2584.068713 1532.557403 3257.477738 2668.535187 2802.767782 1753.327195 3623.850559 7874.583139 12748.54493 11758.02116 2313.139821 1485.072256 4944.164089 22400.94532 5704.839616 5541.853689 801.5124528 1708.093722 1733.577115 2013.906897 2285.581632 3427.364264 2129.718825 2085.617925 3004.92102 1934.352911 1965.076726 1244.010287 1508.357305 890.318834 3440.671848 2098.182683 4119.963568 2053.62029 N1,N12-Diacetylspermine 161555.402 178150.0765 100806.6153 143308.3912 142721.1717 101249.1853 73662.57835 151826.7257 144237.0307 82117.39875 59485.65123 99505.51665 114796.7364 59851.41341 21488.69107 22627.34206 16284.17673 185070.2204 44122.64247 59390.49968 111773.2609 41658.08111 34921.16843 20355.06334 62198.69135 236152.9984 123942.5165 51642.14704 60923.70242 59193.18354 26968.90778 52295.28697 29524.64512 16698.35222 10951.96526 54714.64816 25433.14435 41860.48674 68573.18025 31416.51508 55705.00582 33895.21787 22461.89044 306669.9182 111977.9653 69050.46967 56313.60261 84831.97482 152140.4343 83205.98476 100025.2724 123456.8588 37382.08541 28475.19053 Glycyl-Methionine 88106.99509 112861.7244 40032.63264 74735.67601 31761.39451 45771.62091 105890.8589 139877.3253 166821.2986 9132.875721 13047.22479 17444.37376 8914.978721 4850.454478 17839.7258 10929.60085 6656.697967 7617.297157 7127.287839 9984.869874 11470.34921 4990.998102 5053.439166 8768.444693 6867.29948 6934.241607 9552.483348 24733.86362 12743.92357 4794.931142 13653.04622 4542.524175 10823.00612 14638.74682 20367.51575 8863.662667 13367.79562 17220.91769 20806.06276 16505.4099 10838.80224 5379.28727 8946.551134 11750.17449 4519.095042 12979.16089 39757.55068 26190.9237 43901.88611 63654.34044 6169.291285 31228.65883 7107.25183 25769.74957 Threoninyl-Tyrosine 41030.27313 65349.11561 25867.22417 42354.84115 22799.44933 21531.32692 45949.66768 56830.44233 46416.09402 15501.70142 15909.99371 16630.52327 21623.0587 9281.981271 13690.17617 9868.768816 13714.20214 7381.719369 14893.53746 17805.18345 27642.96328 15794.88096 19013.16364 16716.74269 21006.06841 14951.1011 19478.30013 18050.23975 8709.336735 9381.765318 10858.64408 8431.180081 12267.9396 14823.42213 16919.18257 9597.39967 30139.57252 21754.9199 21755.0296 29990.96343 14541.14249 18215.56046 14941.38401 18309.59554 17307.97737 14205.44 28183.52168 16133.95883 39890.55128 74950.37255 7411.940316 14871.84964 49141.7056 19256.51908 Linoleoyl ethanolamide 21746.61106 24079.74768 21785.738 18929.7677 21597.52283 18702.57859 18852.63 19238.01875 20456.69762 152432.7259 71871.99132 26548.89165 84660.94998 65798.06827 13733.6126 118152.7191 37867.81113 83614.33482 19070.90812 21615.62016 22749.55688 14682.29533 13075.34222 12956.18309 14885.55875 23331.1485 15611.04944 17654.35578 36759.98336 56358.2067 43878.29795 30287.72883 33336.73408 15146.14375 60336.2466 47646.18518 18014.09349 14459.3176 15397.31983 13970.72395 14886.57392 16467.35096 16538.38942 19733.58604 16624.01776 17473.44373 29264.90559 15524.26014 15918.71928 16623.43748 15155.36836 17411.06262 89155.34017 21469.52416 7-hydroxyoct-7-enoylglycine 8076.503604 5989.39604 7459.098484 6440.703077 8933.216849 8727.221583 14623.87134 11428.67917 6547.086042 808.906041 1063.995018 1528.955762 1689.126215 2454.613493 895.4195276 1429.94178 1778.107963 1465.543634 7211.413545 15156.63209 2626.667859 5974.850343 19036.261 27217.19824 14314.58078 6479.892191 15188.58731 884.0139506 792.9607618 2519.669016 820.4015423 1840.424313 1048.444708 668.5498721 1231.754094 2373.293714 10155.48858 9777.325914 4415.669958 6642.063631 8331.062209 11406.31926 25498.45996 6480.525694 8761.281756 21556.02876 12465.23472 6491.691417 3791.377565 2721.42375 748.3259575 6015.085081 610.5766188 17081.38332 [4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenyl]oxidanesulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32381.83421 19256.52583 77762.19035 6760.471108 204391.3061 16737.26103 80783.44768 5823.117415 141954.3693 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26703.02107 18253.38895 4818.871489 5505.349189 4.07813e-08 4.07813e-08 4.07813e-08 84904.68491 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4078.778401 4.07813e-08 15483.08024 4.07813e-08 3,4-dimethyl-5-carboxyethyl-2-furanhexanoic acid 29556.71671 11366.53595 24690.07599 17889.69089 10182.46951 28735.82313 23422.54772 10906.22094 8769.675539 13733.71066 4388.198204 4260.707586 14018.09247 7023.007045 5953.990263 15855.27525 61.46234247 3160.582096 30783.63636 20402.58519 18321.02662 33770.76387 22056.79466 33525.33392 28378.85797 25565.19828 12145.52188 130.0273723 4572.041327 4671.917081 3445.836125 3419.838878 1696.265237 6250.798113 289.06324 9051.321234 43759.15579 22038.99406 34806.39698 17433.79432 30953.50036 27356.25904 32428.99854 28506.73944 10671.57434 33401.06617 31610.77105 38889.11182 30935.30255 25007.38493 17708.27933 36460.1999 13200.76174 29898.51091 Cytosine 166495.4043 213828.9421 118393.3625 94639.90096 296918.1109 65136.71464 100517.2808 217398.7757 165980.8636 14733.50726 39145.39292 81781.69798 14896.14807 18635.74769 18291.98047 77773.02901 32239.14498 37664.14211 62714.32384 49594.95974 76501.74224 87463.49381 68157.88953 29048.59043 66900.01414 30165.65042 115049.1648 103317.4953 19533.60258 89164.39898 26530.23161 59228.89501 23548.14342 5628.794367 108610.946 36720.08685 101303.2928 61124.12398 78322.10368 46381.18275 83714.60801 78554.00034 26294.97986 28222.88027 87946.87372 38904.45347 64130.70847 64763.08029 168305.9189 124288.2968 23642.46819 69915.71711 56609.36131 100743.8051 9-hydroxy-5Z-nonenoic acid 19830.68717 7783.749247 16981.77876 11282.54754 31726.05208 8379.731176 10258.41974 33919.12783 16405.01301 4.07813e-08 98.41563571 103.7073737 74.26301874 90.02150389 47.57068031 4.07813e-08 4.07813e-08 63.90066945 89848.25496 42795.28696 29692.33189 54931.03099 100924.6348 45279.53825 39404.22339 133788.4489 91358.62165 39.21537211 4.07813e-08 138.9714795 4.07813e-08 175.1255581 48.65875272 260.6104723 4.07813e-08 117.9817457 26923.11231 26443.76648 26937.56178 51729.00477 64602.26047 76653.90697 41139.767 142118.6235 64566.58625 15114.77711 17210.90225 18707.68135 28099.78595 20722.60275 96.79671863 26046.87688 51.26636222 43190.23521 7-hydroxyoct-4-enoylglycine 5977.804393 4060.106846 5531.686802 5006.159286 6773.548415 4585.844513 7905.576965 6674.376422 4609.533147 540.5033426 354.5286592 450.70346 730.1907565 676.7492179 373.9497393 1010.351496 651.8014593 855.005391 6305.118788 13064.01351 2804.903286 6456.253443 16027.95252 17692.68341 12324.08829 5804.80467 12260.334 629.3530144 612.0057102 394.0852703 509.5952004 825.6422092 550.9590441 764.6767838 718.7483824 684.5054863 5572.856973 7452.579669 3114.31581 4994.187319 7627.652841 11272.44761 18644.34704 5332.686125 9059.875589 13073.06665 10847.89093 5614.79911 4113.66318 3005.462851 524.8518871 5828.074138 780.9346885 11688.23612 Isoproterenol 7484.123799 4784.33684 6935.695706 10142.94375 9591.129186 5231.68231 14158.65274 11438.53961 8968.888892 238.6081296 57.15171992 181.4368897 339.3999891 243.3640534 259.0797373 341.1424576 394.7386787 446.0313972 11498.38886 24960.76885 3000.560533 11597.28401 21451.73596 32212.2069 20827.51927 8784.091507 9813.111228 324.2910685 195.1368463 491.2697205 197.3413587 774.4015059 415.6094593 175.1993917 521.3261347 633.8412652 11589.52722 16498.51199 4493.808839 9006.483611 15790.05833 14770.12291 32441.74128 9036.64205 10389.87324 26568.31081 16166.67539 11082.4804 6042.696741 2851.527255 618.5622559 10002.37584 634.2587628 27682.22262 Serratine 27530.28753 17018.51053 28664.84748 25164.65785 26745.82033 33660.07542 44613.47124 4976.139204 19125.41969 3896.057247 1350.450796 2032.285414 2559.876969 3705.223696 17318.10571 2072.286811 4.07813e-08 840.3661369 11147.12472 12109.0757 11316.89681 19158.9702 13260.15126 12485.97055 12455.53007 3232.741775 5263.061931 73.66575798 1734.335688 3310.963863 4278.61973 968.1308654 1095.887691 3928.005669 206.5963182 7156.269707 17189.05534 17736.38337 13600.09181 9387.935599 15111.41785 13272.8118 14209.86659 4047.82554 4897.501607 15715.02156 21654.94673 25722.91984 11493.64758 8813.227667 2981.988421 17473.28751 3140.442517 12984.52223 12-HETE-GABA 2012.121606 1462.584429 1740.227647 58.15855179 827.9941436 2881.137705 95.4843601 3296.069981 7351.96939 60.25412194 18.71240431 621.9413412 27.63070778 2090.441979 8762.060319 329.1489573 37.93223074 1390.55931 2117.167189 1415.369554 2664.88539 1763.570757 458.5473146 437.2645874 291.6655227 591.7186966 3119.936181 721.0520548 652.9790456 44.19249888 10146.34555 23.76803022 38.51884256 6445.541284 35.60909176 38.88929429 2176.610459 1849.683134 5768.749179 2943.760952 1242.637873 2271.242888 220.7378284 1497.861491 321.6172722 5510.049299 3364.779631 9375.084932 44217.77473 3698.364786 595.1545525 18858.41316 30.20633816 3778.065355 (S)-p-Mentha-1,8-dien-10-yl acetate 84484.93347 49832.40009 58812.71639 51812.65134 44666.90131 59407.50979 49181.49863 61069.24368 61004.2676 16764.95398 17361.86484 13604.90121 15985.6508 15765.03611 13494.869 21536.15368 17030.54996 17713.54358 37538.81865 36497.47533 33921.24763 34557.16164 31656.50682 36216.89242 37778.75649 39019.26245 37631.49212 17108.48971 16598.58838 19936.46084 16620.96355 16913.94348 22592.23681 17055.54557 23081.55435 19520.2605 51175.44624 41830.55517 46518.48598 31534.41937 35733.80871 36052.37649 37028.03605 44366.53569 28740.20077 30511.80009 37877.26655 46649.32242 53089.23772 49237.22053 17487.51189 45993.84169 21528.58727 62190.44876 17a-Hydroxypregnenolone 56253.64044 11566.05573 37655.27154 38344.24804 36280.74095 54196.97563 4087.422733 39120.95762 49215.56641 1077.932687 3906.590133 592.9663392 900.781341 1377.028821 2485.742437 1486.137295 1396.875203 3680.691695 27329.65749 73810.34871 56698.45267 57197.73911 77459.21208 34917.73697 14784.58104 50111.5065 75396.2031 357.5261717 1516.078661 1354.92455 2220.112568 3324.408728 947.6802187 525.8363844 706.3947964 591.1623098 104825.8213 81136.23441 70424.1587 116470.2653 78924.05352 35319.64196 34965.39685 29121.61801 51603.47218 25200.5185 29162.46696 17340.95105 27722.16917 25695.08315 1612.830127 18906.7985 18780.98107 15306.15826 Emmotin A 664800.0602 289228.0033 252464.7945 294125.8799 172484.3843 903809.4129 1273445.558 604490.6117 524789.5353 387.909155 558.3297358 266.6351875 270.2832654 289.1814943 193.7147048 184.1681322 220.1029311 169.9326714 161926.3872 171851.7524 168455.4595 424789.8791 317388.3842 535647.6954 235517.1595 213080.8682 143903.7761 692.6716383 518.5103411 187.7099914 649.8227125 463.2450122 166.1977214 550.7049582 260.0931167 324.5559633 607308.3211 275987.0468 305087.1445 249704.879 369509.9628 209717.9851 565685.6296 215573.9273 107985.0018 181403.1139 335017.122 529054.6678 361518.6697 442453.3175 89724.32887 298793.1358 37758.19073 698005.7627 Resibufogenin 13131.10488 18328.07675 40852.99163 35614.99585 58131.63869 68906.77337 51663.27909 38841.38981 16924.38974 4.07813e-08 4.07813e-08 99.64434688 4.07813e-08 171.3638804 486.9115209 4.07813e-08 4.07813e-08 1684.828241 32219.90953 29602.93225 26579.74175 15801.85455 11746.68055 45300.14199 19471.64456 26414.59374 30306.44259 10.18870328 4.07813e-08 7.266122504 4.07813e-08 4.07813e-08 21.88111445 6.819355369 4.07813e-08 4.07813e-08 25821.82457 10089.53724 16787.36741 10238.17701 11621.12505 15151.06923 38382.77703 24587.8885 19717.28712 39232.00894 55865.6573 38342.20743 11841.1189 6642.635268 1062.466724 31037.22356 349.7255381 30684.0838 Longifolenaldehyde 4562.976013 1800.3709 3255.987908 2864.613701 2179.540157 15613.58117 16378.00512 6048.169739 2556.531627 929.4725553 1169.476317 4.07813e-08 418.3020648 62.23451547 4.07813e-08 662.0786755 89.34071665 44.80719547 5031.22503 2404.954593 13338.63682 17469.43241 12428.89869 13441.44933 6611.487871 5097.285244 3700.038649 345.7471262 293.3202404 573.832957 1872.969816 433.0701971 512.2976867 2876.671158 1502.884562 1560.621927 32209.7282 6756.761803 10473.5514 11060.27907 17516.87085 7692.179079 12319.91438 3531.632038 2913.886735 2996.837256 2599.381796 6305.074736 5383.314726 4136.238607 3006.40598 3552.898821 4205.398019 5034.67014 THTC 1164799.76 1297845.204 800617.3843 878610.7877 647857.6677 811510.3896 1135508.338 1761590.071 2569978.41 406698.7911 504781.139 711878.3378 439583.3308 343835.0759 479771.6664 468294.8621 530939.9007 895507.5014 340463.4852 329391.4918 391059.7169 178121.862 292010.366 407427.4324 382459.2081 263449.7268 423183.6238 1221983.705 516829.1105 545551.1205 1107030.407 503668.7965 633705.0894 488089.9814 657378.9492 495091.1412 453479.0759 443155.8079 472386.5765 573406.7785 373664.6718 280162.9419 576590.9695 374726.1582 216963.0994 814356.2198 865351.8832 865783.4781 800246.6875 1058529.846 371498.6899 1000815.374 1124244.612 706761.1059 Isoleucyl-Asparagine 339321.7099 318016.2388 231097.5445 348317.0128 225504.6911 265503.1676 323339.0472 352666.8888 409989.8979 110262.6604 114122.94 110825.1034 111566.7287 90306.25912 97751.96389 93121.01919 61166.92253 69041.86707 288181.6654 207744.4213 252582.2416 174313.9027 258144.1149 309305.5107 237852.4282 197790.2506 191014.9151 74568.05332 79660.82154 95602.30647 85051.51541 67049.55731 87402.19701 121850.0837 84768.30409 91426.71091 198403.1162 222355.9243 241559.6712 500769.5598 166647.2692 185423.2098 228860.2873 182110.8598 148724.6317 199686.2466 234538.9565 223083.8766 242879.6798 355485.5935 84768.36124 215368.4886 102551.057 163221.4272 Lysyl-Phenylalanine 39602.43747 48529.38777 30830.83824 41629.90103 34044.92925 29670.40485 42712.92052 55464.43125 33050.61859 2548.267993 3008.014981 6127.79701 3207.476671 542.0096854 3733.66039 2938.399151 5084.23435 2287.19108 28583.05907 28123.12897 32072.35605 24398.74695 34943.07175 30727.65971 27037.28571 27444.91275 33864.65136 4837.344235 1905.582726 1787.000078 4020.74994 2030.868985 1613.248639 2714.679846 6709.22044 1507.330332 31331.15937 35767.54169 30374.67112 43238.26246 27966.79189 29106.34428 27853.94457 25271.28801 32326.09104 23311.73826 23475.14591 20895.86835 33481.67127 53840.73385 1663.411661 18552.89086 5595.045263 19263.17221 Buddledin A 21546.24179 16062.17951 25191.55738 21548.96688 20491.44832 12171.43217 22999.90124 17354.23959 16702.59184 11123.45753 9155.749317 13654.68835 11767.21086 12582.02836 11841.92499 14816.71016 10393.49306 9412.624849 18151.10048 7803.272422 14389.73209 10912.80966 11807.64613 13068.31148 11003.75947 12874.82453 11741.24648 10951.99642 14856.77493 13844.32749 15678.73747 11713.06079 10426.09909 12743.23544 37999.1058 18590.40282 18558.78632 19100.01098 13113.58682 10175.11284 13881.32202 10214.55303 8286.209363 17186.04145 11819.31769 14517.826 14476.58461 12044.70379 12436.28788 11718.28993 7324.265794 15170.09219 14047.01316 12742.18722 Hydroxyprolyl-Isoleucine 5179.527215 5945.429808 4721.70715 2481.515118 3681.18168 4811.735996 6620.039749 4294.420108 4510.505405 2466.310348 2040.634961 539.9990258 7700.004013 691.4607373 592.4374417 210.3679848 805.8941167 2172.221185 27533.27907 24012.37686 21886.63937 17919.82946 24839.05467 25085.35798 21560.10087 22087.78006 23659.80601 2378.146011 1163.697977 2045.197583 2523.545625 2823.472952 1781.642032 2957.460404 593.8502958 3445.912451 13734.44943 18501.09124 17343.99088 21230.124 20668.95564 23582.49987 22320.07673 22202.52074 30551.58973 16896.92894 13952.97446 15642.03139 12141.38615 14695.63145 3870.748103 14873.91131 2013.855127 17359.16098 L-alpha-Amino-1H-pyrrole-1-hexanoic acid 32946.26546 29056.23842 41386.77342 47378.38191 47190.27707 34829.5676 24920.44824 24788.70495 23749.94011 9856.6164 9561.800307 8244.465285 10291.25427 6328.767602 4544.139082 4967.11791 4006.64706 5157.493331 41880.13143 32309.74489 40304.11407 35080.53257 23939.51927 16455.66671 31083.3275 44203.78406 36615.90353 6811.997244 7511.562112 7604.31795 5544.039729 7529.3538 8770.923073 8816.885042 4251.895481 6786.07456 33997.94693 34321.03772 36540.27791 38570.18305 34649.68335 36764.82314 14311.09311 46520.78516 42139.77109 30298.08846 23122.29364 35717.14349 35222.59973 37582.86688 6855.665365 39248.87006 8947.087898 19907.05111 Methyl 5-hydroxyoxindole-3-acetate 37547.1725 68817.72292 17839.15573 28753.45916 6747.81185 9268.867293 38376.87887 29514.98266 39014.31425 136290.1277 151776.2222 116046.6408 111651.436 176780.5892 179621.6689 171923.1542 117679.9587 167569.3439 8126.6997 17529.52825 5618.259164 3761.147778 2022.708178 5485.111793 10084.18638 15122.45924 5525.076835 80992.22389 135022.1315 165332.6668 137569.8956 165300.4066 167653.639 127664.8733 78837.14469 120026.5834 19954.00981 10831.6517 8828.876078 3137.206864 2198.796961 1847.60229 2290.659131 11547.82305 3422.947167 2880.612369 18732.73364 11724.31407 21714.8951 50029.32474 159540.8827 18606.89615 110136.08 20326.56537 PGB3 63225.62504 50998.72993 56119.27654 52891.00158 57324.95573 63163.68998 64875.79996 63597.35628 57836.62968 22812.6987 20687.05305 14622.4639 25202.33586 13465.92475 15597.77446 6637.570537 11738.6402 18968.50257 130255.1545 123465.2319 107333.1682 110149.0315 135672.7807 125738.0955 108332.5637 128866.8229 119146.9644 18434.89328 24253.20227 22529.86098 18598.40195 36255.95636 20647.36976 25475.9535 10028.76938 15279.53318 79560.37213 110701.827 95629.34089 108328.5517 122744.2433 126034.9178 112757.1037 121134.2721 160245.5391 96877.08543 75795.11536 92871.14001 73103.674 64855.4954 36488.01326 85990.80652 26534.63936 85568.48648 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedione 481.086172 1268.291063 1757.357409 593.4122588 800.1099128 716.9867159 805.3333484 1566.008778 2347.126686 2354.273607 7821.920314 778.951683 2337.151539 1099.146016 460.4276845 3894.553557 17081.62234 731.2366057 1335.487697 1607.300604 1329.131388 1127.913052 3719.272947 1464.492127 1822.920346 1175.15542 2436.470415 21009.82164 657.1545539 10540.48049 2705.477057 11232.32662 16862.33204 2521.895598 29007.39986 3777.185776 287.6820486 127.3493856 636.2255181 443.789397 726.0270795 382.3732359 1676.685975 1143.511271 76.64070782 795.203428 464.9018795 577.31519 776.7840801 447.145883 498.0580028 1115.550232 1867.582973 541.6318101 METHACHOLINE 641427.3504 465618.7202 526889.1152 466588.9262 351868.8594 723933.5898 548387.5578 853514.7686 797571.9418 45810.68871 54815.01656 78961.02598 47383.28391 58667.52833 143928.4965 43079.47554 57079.44122 132713.883 353086.7716 277160.7488 740529.8984 234192.1876 242078.1555 638345.957 539453.5685 738928.9776 516728.5816 69140.28726 76096.54274 68338.31492 69435.89491 79349.94992 91626.73846 106996.3126 45278.45922 68003.24678 1086760.163 434410.45 708411.6515 526126.3894 215157.9493 260708.9755 639048.0539 808034.5701 211733.0488 460009.6582 246529.5936 292601.3101 496800.5609 555208.8942 79653.10542 494905.5319 69248.51744 569215.8533 L-Urobilin 346059.2528 240353.8554 445349.6171 571824.7586 516897.2978 501796.7136 282768.2156 892952.7706 645570.0729 1175.934295 523.0122247 3642.287574 581.2320636 6685.879129 3036.108985 2562.828332 6807.394636 5137.736442 277862.2323 436599.1248 162212.0232 110257.9477 112783.9896 295544.9167 250934.7949 245150.5373 134592.1242 1996.992959 309.2707565 1550.166443 934.2218269 3.464694202 205.0338492 550.8189326 649.3210513 499.5102147 79146.4531 344366.0837 137675.8753 265436.642 627348.2072 248726.7284 650258.2287 243820.0291 65140.43914 854844.9705 125208.8344 266729.4 234991.9311 134232.3586 162.6676034 274902.3847 118.7008197 682609.2002 (6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide 88285.81574 60491.77729 89120.50894 60553.68002 28719.10603 243606.5717 227624.5127 62549.27625 73258.09524 65778.46594 41405.46271 9240.197387 47013.47717 18158.23247 16452.73056 199615.3057 7093.488909 18059.0709 121193.646 198316.55 215300.4274 526165.4808 299938.6666 376984.2957 87008.41898 818419.5331 376393.821 11146.52943 10820.43208 57881.22781 54018.47456 108144.9665 66524.99176 22803.73375 9891.409465 28285.31654 1112285.31 452408.2883 271879.0649 236982.2028 564264.4465 121063.7474 384706.4632 635980.5965 391905.8462 81028.77347 98762.74067 232416.6711 178944.8503 138015.8326 117564.3404 76380.3439 62720.35275 94589.13089 Metabutethamine 189265.2598 104873.8901 159598.1342 172244.0875 116702.8657 104958.0594 118950.1625 275930.1702 78551.43662 34.27943606 1433.47141 903.7474353 218.2299977 4.07813e-08 1876.796152 306.3839053 298.576917 346.5634318 185546.7429 175869.8506 118166.4199 207755.0469 184935.5354 176612.5871 240752.7879 191519.7804 203710.5249 85.115388 433.444035 55.56749642 400.0657137 230.2498855 623.4083526 1089.548256 140.2516293 139.7660935 578923.0793 142908.4849 138895.3471 160785.0929 172461.4577 209314.7595 174424.5027 189835.3905 248716.2617 121594.2979 102807.1881 119524.2759 123910.9489 190263.9125 383.1726806 120556.2638 311.2709979 133032.3914 Sulfoglycolithocholic acid 1011880.55 1778035.197 275109.2342 129648.8028 142616.7668 126080.1606 53812.09727 447586.3794 1889154.117 12494984.89 8381015.74 38232314.68 11744886.51 63975690.68 29636159.4 34262739.9 43189847.13 31721270.53 72576.09961 82728.49902 58486.5871 123910.0002 35459.71045 51843.23116 39442.4725 86011.49372 33190.75685 22945298.75 8551969.643 1527150.495 9666712.438 4605193.922 2595248.095 6121340.18 19514591.13 6060341.203 102573.9714 79717.3214 39053.87817 53583.48041 64584.91281 24975.05165 41720.02211 72562.75386 34444.53894 115965.6278 5473041.078 729742.2946 2935702.368 333286.1676 17780580.05 952791.9002 2732969.909 1703049.358 Methsuximide 433.7859004 1572.035157 937.7567578 619.4375571 170.8378438 697.7877354 1017.181458 541.0567243 1936.713986 4254.835719 21797.55043 2549.588636 3494.667499 2903.068768 3782.839623 61364.92834 24147.64826 2245.568336 1403.280042 1489.325302 1261.828255 1113.962701 1078.422783 1373.589064 1139.508478 2309.34873 1379.390591 63071.56603 1542.820664 23108.02571 3820.270061 9552.973765 20687.93175 3535.566462 41766.08577 6957.611456 1168.384695 814.1824754 898.9368264 742.3093141 1053.884183 447.3822488 824.4771864 1612.476325 1584.580635 716.4320771 1123.407823 922.0888161 2156.959087 693.8600958 1571.824439 982.5051109 20419.01473 2679.175702 Procurcumenol 143648.7451 107845.1308 125270.9095 82200.54351 70328.77567 209950.1239 179122.4124 172297.4765 121435.9265 45504.08161 48042.8544 47259.78804 43931.81265 67554.95942 49560.58497 70988.57925 106892.9637 108263.3415 271979.819 265855.9068 360885.295 522409.6464 551003.5165 348387.563 365408.6933 244613.3002 244631.4349 164206.1053 88922.28747 69101.04608 119760.6188 149236.2673 78953.6613 102382.1641 98110.85447 74341.2867 482609.54 291897.2409 406575.2302 432637.8927 544406.1984 481911.8796 326038.995 294281.2504 216823.838 243659.2192 269262.0421 290404.8192 482168.0714 375191.5383 309159.5305 367991.6509 146757.6712 214276.2847 Leucyl-Lysine 9040.980712 11668.10606 3591.84553 10662.19775 2718.243629 6954.479385 10358.99537 18795.02949 24353.82972 22096.60832 26802.13729 29587.64569 21910.64833 23546.69809 32657.64807 37178.51437 26006.86732 39755.61919 1666.281866 1929.61017 3650.5184 655.2247048 1072.526148 1984.801199 1534.455636 1370.97249 1571.48384 14038.93441 24805.12352 24683.15569 23722.32307 31558.40045 17042.33816 43569.03041 12953.12186 30424.77613 2252.826048 2745.158442 4500.852968 2233.275861 1254.225259 391.7572771 1330.83737 859.532566 387.9144869 787.8937438 5532.965996 4492.623188 6546.180402 10741.83386 28934.90162 4877.362496 5311.887762 2476.52932 Toxoflavine 1799.116306 3462.326117 4654.494088 3986.707249 8515.817828 1976.009645 2062.792582 1569.372566 2650.83368 1922.326467 1373.701765 9162.757531 2368.840628 14222.20419 2662.53291 7017.926804 3118.241152 11803.60814 2013.639645 2627.166089 3566.589898 3453.05376 4639.245444 1661.052923 2173.213039 2198.651381 2075.07095 1105.819504 3000.950853 18127.29663 3883.321426 18882.49189 1884.736388 6653.708437 3035.762991 7958.61992 4105.832109 2452.378491 2672.381695 2562.554249 2607.548557 5093.842766 1359.658425 2457.163678 2604.437712 2534.339865 3179.793656 7880.978506 3696.645864 5724.233243 6965.172615 10860.19383 2510.184645 4072.140855 Dihydroxychaulmoogric acid 201012.6416 198440.7303 208290.9817 198831.0065 235608.4336 167125.1538 171936.4366 174998.0805 185984.8272 134341.0493 120729.2583 118158.0829 133244.0288 121884.322 120579.7567 150598.238 118014.4526 133455.0935 132478.0235 133155.0054 128417.2834 131256.1247 132847.7014 134760.1904 142832.323 159671.8434 138694.6698 109883.9517 139321.0208 143621.2404 141515.4873 125660.8165 138985.8758 123840.0804 143079.6922 142198.1771 156800.792 138548.9104 140766.0799 124640.0838 114012.4799 136510.8968 134871.016 162197.8701 144548.1774 152292.4453 147617.5745 141536.2809 143693.2805 149927.8327 111818.3793 150013.9236 159412.0845 177800.0142 (+)-12-hydroxy-9Z-hexadecenoic acid 49984.3882 52452.67613 55671.68195 50476.81095 49231.91171 169675.3867 40917.02641 47574.90638 52039.74252 38874.1604 32763.74243 30772.40865 37104.08 31971.68574 27192.81955 43921.98515 30414.32924 36727.93515 53911.15404 62476.1196 47068.69739 42447.23857 46160.59435 117602.9528 44223.76631 139286.5943 54268.60876 31279.66165 37793.66558 41743.47078 42967.66342 41474.12127 34973.92155 29826.80905 39705.51097 38266.28943 37104.73737 42911.97249 43152.95159 47469.36216 44355.90773 47276.57307 124323.6097 106069.9718 73714.51149 63090.78219 51092.61032 60165.89763 40901.18061 42197.19598 34344.00992 49658.78165 60493.76471 49934.31812 Isoleucyl-Lysine 21078.8364 44817.53923 14010.75485 10197.59397 5927.845578 18458.9337 32467.15096 35149.1577 29056.89386 97278.43135 75606.89809 39414.54813 101689.3765 32155.29255 61992.28623 17171.66481 43485.06296 96590.33342 3547.307912 3975.823937 6033.60856 1991.651959 2173.430959 3580.06643 3529.54328 3155.285444 4881.606976 68460.9121 64869.87579 31922.84684 56250.71167 79993.86414 56347.51347 86997.40834 25447.82516 27576.76038 5690.148127 5811.111955 7362.274194 6811.366399 2921.559422 2601.440229 4310.26821 4305.759443 3292.622979 6559.343047 2670.820018 5828.684832 10515.4668 18228.50364 96688.26341 9517.921435 65524.42981 8010.722228 (9S,13S)-1a,1b-dihomo-jasmonic acid 377866.7938 375722.865 348942.6699 361124.479 332601.4003 288182.262 301605.1534 315831.3882 333228.6211 224899.3598 226868.4889 213781.4334 215561.2731 229116.3906 185322.1341 263522.7574 207346.4583 249189.0714 237254.589 241835.1625 230160.0005 228998.3009 208108.6745 219782.1696 248364.3771 288391.9191 265212.4235 202673.5624 241871.6698 247263.2873 248208.3986 208950.1447 214911.7137 203191.8031 251651.4887 267005.1324 285438.1673 238814.8489 250583.9284 211751.5162 192516.2865 225432.1832 243741.9685 297795.2567 268859.4504 275060.8592 257945.4482 248889.1743 255415.2984 250734.2909 197181.3687 272692.8622 284681.9975 309727.2087 5-Methoxyindoleacetate 7681.45497 15118.83384 2752.120846 4473.3341 3744.406758 2019.032954 5075.07068 7161.088433 6078.508395 18137.8256 33086.48719 46246.60145 22394.97749 27351.92627 30593.7217 33452.05331 98348.96208 28346.33838 2230.588083 2502.917135 1519.935763 4092.618723 1108.648951 858.2495505 4990.448573 48616.08949 1751.106134 26770.37123 33893.90728 47778.10713 32434.60254 71580.10744 38395.45942 6162.267281 60724.24584 51420.75858 18718.87248 2074.858074 1548.560896 1690.590493 1846.539237 2108.21049 1367.649253 34121.1566 2520.406163 1811.040678 3289.796302 2205.532544 6020.661753 7297.692726 42259.76177 3065.11813 33022.0368 6649.893516 (-)-trans-C75 21306.46311 16655.35288 19793.22787 21606.32467 22942.39722 20906.2128 20132.9629 13533.83252 17107.10975 5502.347712 4785.762688 4874.21862 5090.725142 5637.461921 4241.671058 5253.951518 4606.18782 5299.470621 23849.78407 27633.20997 23246.70499 24163.09306 37277.10368 23983.56042 22715.35267 18663.23473 17462.05654 3931.47574 4571.32779 6959.686222 4034.77672 4768.447719 5277.542284 4492.389615 5749.859674 6098.651983 16686.88712 24766.82059 19116.08576 21415.37538 25063.52763 31224.3588 22754.4832 19995.71633 32484.79044 28366.82085 19045.05192 25897.94443 16929.97224 15571.1341 4971.117911 20150.90774 7076.353519 19133.07257 (2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone 10550.91634 8098.5908230000005 13534.47776 13526.18883 12973.8059 13970.68974 9203.177131 15282.1193 14998.27431 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.143544713 4.07813e-08 4.07813e-08 21181.9087 27287.65305 27988.19285 22069.40003 21540.57067 24223.7563 20075.87781 20964.29502 26026.29907 4.07813e-08 4.07813e-08 18.6685225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10461.83344 21003.08519 16727.58195 24523.55087 20357.3165 18296.13146 21838.43733 19017.37503 24042.25613 22104.54609 12294.99098 12037.80341 9407.274878 8239.806762 4.07813e-08 14666.14195 4.07813e-08 12698.7791 Crispolide 3793.24067 4496.043422 3711.542506 3198.568796 3315.188659 3703.280081 3393.390586 6767.142628 8972.191486 1877.762354 1770.893532 1678.796319 2016.593786 1780.519258 1325.587461 1137.01918 2460.726456 6668.087514 3960.574113 3652.72726 5603.761926 9109.298779 2849.206665 3091.045678 3195.819962 3033.417005 2940.265595 1162.301147 2321.648806 3162.426428 2473.768402 3308.031463 1690.937767 4230.992586 32158.34081 4314.879619 3960.855579 2741.994354 3935.324579 3278.881715 3366.747873 3671.577173 2639.185792 3690.792067 3200.792418 4395.301357 3945.835519 4334.418409 3800.56504 4414.115789 4202.036331 4990.293783 3672.372879 4446.579691 cis-Resveratrol 4'-O-glucuronide 43477.16711 55905.80698 52353.66995 69054.41352 59355.29745 43299.77873 72579.85457 58571.60446 59024.79995 2266.542512 2310.551161 655.6495123 2510.534652 4.07813e-08 403.8026539 573.226086 367.9907318 2737.212705 7006.862016 6067.519315 9168.367651 11110.51569 6533.974414 1461.488319 9397.678777 5154.387036 10236.18423 706.5858674 3238.368642 11317.15833 2316.387442 5474.565176 3794.588959 4991.626875 947.0438989 6578.894628 31684.43805 13538.54765 19843.33519 6111.216374 11688.48668 9202.8571 1125.323581 6115.208849 19481.40602 6503.086527 6066.43855 16536.59575 27589.26064 31580.40284 2908.400405 19111.0873 4239.32531 21219.78387 13-hydroxy-tridecanoic acid 22234.30733 17145.4441 13289.55895 16214.85522 39462.03556 11357.46885 36518.86354 11653.84601 17749.51774 1878.888215 2373.288074 2123.079755 2101.541277 2291.499237 1689.727525 3055.176583 2057.452617 2498.458625 2508.980298 2323.872729 3028.140271 7693.676097 3552.44655 2380.462093 4717.170433 13077.46223 8000.205743 1702.445057 2158.918147 2296.679963 2239.712358 1811.271365 2539.610914 2202.762124 2711.675818 2776.139371 19114.83148 5965.527496 6040.113847 3495.366068 3581.08952 5144.907934 2749.176419 10184.49354 3526.008007 2500.274758 2822.161101 4912.975036 41178.36816 11804.71172 1761.597663 12670.33964 3113.244507 21799.72156 8-Hydroxy-4(6)-lactarene-5,14-diol 23070.51105 5355.842317 13794.09417 8576.387968 5679.215077 33648.90209 35684.50783 18127.11557 7003.775802 5082.210107 4382.177174 2828.285754 4619.464393 2989.004981 7164.945236 14049.03971 6400.521997 4853.845569 8779.238801 5473.185089 12446.59103 19009.0027 14087.9488 13550.57675 11525.66569 7746.047694 6736.284404 4115.67563 2483.873031 7349.668914 5140.180285 7630.504195 4333.735828 9452.285881 5550.766551 8350.137458 30712.54118 15073.05662 16698.61233 13221.28052 16578.4289 12390.66972 14735.85579 6146.541151 4210.27115 7275.487654 9202.687276 20629.49739 14631.27848 9534.104386 12778.44427 10514.18963 31749.47912 20252.71439 10,13,16-Docosatriynoic acid 230.7158607 309.3995068 598.654742 1088.905118 635.3561458 1360.896293 1029.424779 145.7301202 487.08937 4.07813e-08 266.8139089 4.07813e-08 175.5602803 74.16002427 239.2085172 101.0549065 4.07813e-08 219.4547677 180.4884196 218.7090014 171.4127199 1398.127758 525.1428945 1452.174051 1054.602334 500808.0795 917610.4321 129.883497 167.8189239 77.33852976 138.8572937 4.07813e-08 185.5489008 220.6273773 159.5561255 4.07813e-08 318.2101231 584.454149 4.07813e-08 526.3610126 1739.981035 258.0800817 1678.041984 380610.1724 168567.4396 1825.691084 2389.963096 2117.125435 204.4213978 4.07813e-08 252.6372524 1736.569364 109.2915728 1380.235923 (1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one 1937.566224 386.3462311 3696.564456 1086.430291 1382.418178 16564.06009 18073.02774 1343.179395 11027.85001 612.6519819 772.666913 4.07813e-08 468.4395109 155.7504949 1176.599662 2245.482638 337.9789743 150.7450929 1588.36944 2254.781246 4232.220257 10123.02273 8548.303613 6987.490185 2754.74137 3085.784025 2694.075249 50.55192096 198.1908549 1344.273452 1335.230684 882.857147 582.6673734 2088.971666 112.8548743 2235.223416 12937.92693 4396.854619 7089.895292 5480.653916 7103.325274 4202.577601 5352.917128 1939.51395 743.3437185 1992.865043 2869.782128 5424.997793 10557.75151 2813.415443 3719.351781 2950.365609 1872.790344 5427.742724 Scillirosidin 181069.7061 202385.6275 208265.5669 214630.5472 187685.1764 183425.7642 169436.1473 197627.5489 198959.8028 153244.8983 187973.1508 143923.8884 138289.1671 162950.3273 110493.0843 145948.1838 124710.8237 148719.4257 146949.9185 144246.4805 140721.8883 146019.4833 139211.7634 142767.9879 163611.6112 179989.3294 186425.1525 133776.8401 163877.6488 198869.441 165432.6346 142881.8522 148089.9839 154400.7582 186889.0927 164002.5065 180521.9005 135553.5301 147692.3718 113639.4917 117596.9529 120171.5974 130779.6683 167710.9311 169519.2296 155998.971 152908.1996 146738.3095 134890.4522 140457.1006 123358.9282 167372.091 169520.1715 154925.6931 N-stearoyl valine 1373690.861 1396148.25 1313576.451 1327109.198 1330348.799 1108996.182 1183926.283 1160564.675 1197147.846 1033421.583 961813.1871 830924.0767 903427.0413 991870.5688 743480.2228 1165982.587 827841.9422 946602.1996 916578.7735 919616.5896 872942.148 925813.9321 860456.6298 883346.2649 943215.1093 1088376.625 1027951.926 803507.1687 929604.4428 1030449.312 1016176.014 912968.0472 872710.0054 775166.0498 985288.0229 1082757.083 1082281.656 942066.2049 952690.7458 864960.4551 768059.1571 870720.0236 941675.4665 1125797.408 1040446.616 1082170.276 1050554.827 986198.6725 981875.2302 998181.269 767204.693 1019259.3 1137231.535 1311893.368 Atenolol 21351.87807 70793.13041 4853.424604 19517.94241 9087.928637 5913.784363 36913.5334 48125.23403 12698.26093 756.2280868 445.2536827 1079.337482 793.756695 602.9252166 534.3834363 335.1281426 324.9165669 1261.870952 3973.724718 4177.843345 6400.077138 37900.48344 4461.44541 3983.853883 29796.12514 5054.384828 4040.29428 913.0436201 703.0890788 680.1049315 1009.984048 876.5696125 502.6035234 1237.306967 479.9970975 560.8382942 133716.046 3487.347586 2593.755471 3819.950703 3780.420844 5692.358445 4078.814506 5597.965585 6755.642232 3715.512176 7169.584271 14143.95018 24283.67861 38469.9127 1040.155327 19380.05299 833.0667734 7494.798639 Valyl-Isoleucine 547137.9946 636881.5932 364489.6542 563506.0769 291454.9105 391495.8575 616174.6942 539953.0984 435513.1839 74744.02057 87357.00473 71980.69835 78357.86167 57481.8058 75121.06159 70309.83569 76853.91512 57127.19347 127913.4122 125259.2977 287446.237 143068.1842 193887.9569 154558.4056 161463.6077 181758.2497 154676.1577 55744.01077 71922.11564 63297.81259 82016.24602 70052.41085 69684.07626 73889.54712 78109.01098 53944.07953 249743.8929 258822.0752 283203.3468 256410.6687 142290.3186 131210.1855 148427.4807 162500.0499 160187.2219 126439.5021 185860.1356 148852.816 331722.9181 683567.0403 42565.99974 138952.73 119425.6585 119903.534 Hydroxyl frovatriptan 12664.6282 5610.554322 10607.61874 8640.56226 9592.954508 5078.320879 7313.128789 9768.568445 6388.393619 137.659457 291.841064 0.872103203 6.723156089 54.03409831 162.8045735 148.7131249 22.78914632 1.297127878 15827.20969 16607.82742 6393.462541 11608.96641 15703.00995 15348.20331 13273.66133 14013.34754 16577.12261 5.463836283 84.28304219 85.64568207 6.480066572 93.02904221 1.432805261 185.5355564 88.01023044 6.851848631 10529.34125 14342.8177 8257.954014 14332.42743 19875.7336 17086.90309 19472.35078 16063.68354 16694.75523 14361.65405 9025.475817 11995.14999 8619.366487 5300.984435 154.1123361 10969.71759 4.270042753 12597.48595 alantolactone 22983.3019 15865.1114 21681.62161 20180.5752 23629.3345 24947.62062 23394.2236 27220.3177 16489.75164 1440.017188 1754.676223 612.8639018 1350.028682 923.3823276 1534.748951 935.6440893 1489.520646 1473.072591 42741.08494 62005.88163 85009.91376 77907.24087 41346.34055 46498.95501 46517.74139 30891.32611 39037.26808 1124.03465 892.2000823 1017.245431 1214.926339 1682.010996 1227.527044 1406.532495 1042.95849 765.9465884 29850.19762 32473.81224 25269.37346 53229.30497 42626.04762 40717.05486 46759.52107 34323.90221 35658.07447 27386.61636 19494.68252 27675.0553 21699.13135 16630.36845 2829.921802 25857.12981 2646.421155 31591.48183 Triethyl phosphate 18646.91738 16498.31311 14236.46703 19189.22436 18001.61132 13670.29546 13498.42089 13499.08493 17084.03093 9025.279429 10286.04601 8121.117889 10366.18343 10208.3279 9259.132317 12618.19522 7648.266803 11287.25831 9768.173589 12667.04056 11131.46214 9317.919492 8114.624821 11632.22928 11955.02969 15790.12232 11691.57603 8782.757652 13223.88333 14674.78443 13247.58129 10860.73074 12006.63433 9827.089954 10363.78577 14481.33638 14177.58795 8447.486852 9059.524338 11855.40425 8988.587221 9753.260004 12568.79495 15619.01048 9151.390407 15062.22371 13426.30331 9585.018928 11991.72049 9547.10937 10235.89221 10840.7111 13576.07467 12595.34742 N-Acetylputrescine 39933.10937 47398.52112 21452.97265 21225.91346 30766.26953 10367.46007 26843.44741 46495.87281 31008.24664 23747.04641 22816.37257 15874.67787 25915.55455 14783.07624 20787.45348 7256.527005 21779.82736 69643.84285 23177.85095 23277.42297 28435.0846 22052.7814 19542.37933 19849.86367 66170.76501 31502.79618 29410.33567 25992.52718 41862.76825 23044.23065 23907.21361 41058.24021 26669.97876 27563.67602 9500.2796 14328.45104 59840.69048 28449.02471 27597.85621 29496.45156 17716.20812 25676.49597 18228.40524 33737.39171 27870.96912 14060.55767 13605.81901 25921.76849 39415.81305 47614.0645 39662.96285 32921.59264 27218.10247 22682.11884 Imidazolepropionic acid 6137.959055 39166.2541 3582.618375 34059.0005 6893.076951 5074.567735 5510.865985 5999.495801 6263.153215 4852.191269 1809.50191 1777.229619 4626.457364 2506.234297 521.9587246 1713.627452 2582.830114 1574.478088 4136.471038 4823.099398 12860.96034 35168.52476 27008.194 4325.794425 32834.39643 5155.776007 4079.879241 1462.39077 4880.665244 34998.51237 2269.913144 2592.639974 23391.49026 4547.109138 2769.109877 3862.27432 137004.3894 7904.655441 3445.083732 10299.35713 16380.68521 14887.71835 9191.99924 4848.005003 6441.231144 6134.986755 4198.885818 3939.923688 22593.80992 22114.59196 1650.072107 11352.49512 2772.538735 6713.859442 Isoleucyl-Aspartate 12666.07133 111008.8698 12577.73403 15013.25194 7123.483737 23000.94795 28420.22571 37229.91727 34335.64789 1020950.068 920494.5912 543396.538 1063930.014 524247.0569 598748.618 460674.7 704872.1895 900131.1473 3063.197272 5348.167626 4341.333313 3373.031349 5246.720948 2696.953901 4470.550661 7253.267097 9990.582306 603328.0585 687342.8833 884659.1603 591661.1704 1024307.485 670304.2493 741858.5783 372405.5989 639437.2395 4214.073004 3354.142471 4474.787998 4083.514675 2425.002731 5910.27915 1662.62532 10059.62269 3422.604805 4004.543314 6567.560683 4960.63504 24220.54192 57314.72696 1076723.955 18246.93117 950241.843 33844.21596 Valyl-Leucine 716241.114 953454.3958 377391.1458 747514.6572 288851.6945 396568.1028 918307.5063 755336.0245 769063.5796 41236.0791 42622.61262 38969.71687 38710.36583 23601.69958 46382.6345 37345.17016 37160.3887 29558.07164 65112.60284 62173.97776 252804.1388 86123.02988 137059.7872 78235.59226 135539.6321 56952.50933 86198.9815 33143.81572 33933.00332 22388.82041 39769.92408 27543.7183 35160.0602 34250.99907 38485.40937 28363.91451 227664.7337 236442.894 286836.1149 189451.1157 114555.878 76911.0471 85498.75894 49137.58848 63431.32528 70559.52689 196007.6615 140640.0866 436367.5154 720834.5534 22605.53552 148948.8963 43844.51526 128344.3694 Glucosamine 103879.8196 92144.88695 71510.45813 83906.24892 97802.09809 83976.92187 77109.36189 91818.20402 78133.59847 61112.00404 51217.99893 47782.88814 57448.35324 47512.20684 66610.1462 45112.33119 63782.91245 50507.68856 86372.71737 79694.22079 93266.92774 69716.99818 112267.5081 71671.05026 80898.42954 78016.25001 95372.86436 52447.43792 61273.05882 61973.94462 55048.71968 81070.32901 74832.56083 77424.47111 55392.83431 63400.41931 89913.73705 78108.20655 90107.57766 115715.5627 75644.0344 108401.3423 85726.96638 74593.10693 64891.13087 99678.62543 74741.66654 95294.52884 105306.6581 133628.1296 84490.27121 105967.1624 64113.87568 86455.17462 gamma-Glutamyl-S-methylcysteine 4691.675821 26663.03875 4711.362576 4925.794087 4455.528621 6592.541127 8237.318751 19146.65299 14167.93811 270862.7457 255970.3573 138481.2183 301704.0146 137358.5448 158050.5939 111336.3931 182680.8023 211186.5514 959.3637316 679.364002 506.0867066 236.5329281 867.1327354 1204.835532 1151.618712 1369.12077 1849.003599 172830.2369 163911.4681 222766.0421 137794.0072 242404.1869 163889.186 188215.3844 89564.56542 171693.1851 438.8069631 918.5791628 1259.362106 2132.492889 2906.565465 1761.206837 2492.654388 1954.223689 425.7994757 8475.959055 1646.638806 4481.628833 8394.389515 22804.49387 220531.9671 9139.480206 193465.2499 8472.549537 N6-Methyl-2'-deoxyadenosine 23024.91951 40676.78761 24967.96775 10368.31126 27537.85012 18498.46632 10694.13351 52083.82329 39341.13244 1665.660563 1315.567423 1109.047959 1459.29366 848.1232378 758.5521148 572.4746605 436.8966321 585.7657683 32423.28579 25473.39721 15119.71997 9969.724638 9873.626422 20038.21474 15873.80483 8308.225556 16353.09433 1019.316795 1041.905291 543.789554 540.1128653 1627.646247 831.4294462 1530.064955 114.1963551 347.7648179 16104.23812 22306.29839 19251.38844 21926.80764 22829.65091 15480.43766 30199.64548 10439.89589 10227.94252 51716.58954 19635.65965 55993.67239 25976.0897 30224.57158 1460.407877 39566.48603 1770.41841 15823.1104 Valclavam 12817.5617 46144.35683 7365.86243 8219.021155 3587.19574 5671.470101 11662.43517 22128.35492 51990.07462 107185.4024 133644.6378 340274.347 144087.1503 308576.2613 114807.7985 32840.7772 18085.13903 29812.39456 15002.87636 12746.20371 13434.40655 8302.474211 13146.11787 16816.4808 10388.43603 16236.39537 13549.66198 285736.0026 35422.93553 15312.77862 50779.21245 18970.32904 96224.74777 26716.9302 46905.2216 54485.58602 11421.30035 11365.46844 10494.10745 12289.07769 9060.577339 12885.08422 12532.95889 15862.43274 13279.53774 7379.572292 20864.67524 13494.74142 20802.2762 40122.92903 144544.3124 16700.87246 547306.2003 41758.84133 3-(4-Hydroxy-3-methoxyphenyl)propionic acid 34324.76212 20875.81817 40146.80218 38851.77235 54491.34489 54453.18231 45701.26818 49616.58348 33039.51481 10509.76221 1583.207914 16288.77415 9045.747357 29065.34433 12429.04085 5279.571679 1310.568937 28497.54456 36620.2857 35311.43944 35150.91458 31425.65822 35095.71053 37967.04338 35432.96297 35949.12443 31928.25981 871.7696597 12642.58558 6655.583833 11708.44452 3301.01504 2578.787431 10210.99377 1497.515288 42359.98814 32697.56231 27527.16116 33979.10033 27221.55645 30291.9905 36694.24787 36723.48655 38407.24158 36159.76205 33896.63958 17531.16755 27072.63511 32596.36027 25728.93593 18795.73691 27484.51969 3909.193573 30939.60399 2-Phenylpropyl acetate 8026.5497 6458.465722 8076.662262 8682.006922 14221.97106 8370.515319 6761.767437 6954.274663 10804.84799 1629.819236 1386.977357 1256.722544 1684.528279 1471.810047 1271.150188 1708.491471 1520.784278 1757.265281 12976.54475 13762.59994 8990.978261 10971.16253 13392.35096 15544.6262 10980.43011 9493.060597 15004.35901 1325.923165 1632.731997 1562.60638 1693.953158 1676.77166 1558.521392 1735.954389 1374.409533 1831.833009 7198.449664 10911.9439 9350.64502 10645.18189 10501.25957 12474.60113 15654.37858 10068.4361 14804.01347 11152.64973 9241.529407 11768.93209 6701.313943 5887.14172 1688.504721 9669.250997 3312.858878 9254.60043 Tanacetol A 63883.60077 67414.00539 63219.69308 61101.19658 59917.88846 51463.4345 52641.7298 57549.80766 60236.48245 39835.19959 36662.40474 39869.37335 41666.66517 39024.54844 32874.07241 46936.04684 34385.66282 41162.00208 39534.38841 41476.28935 40848.36965 44803.81917 42215.23019 40525.93778 47094.88815 52712.99472 52844.26823 36567.17061 43482.45538 47598.42042 46711.51662 39563.40358 41130.06341 37145.86239 43725.05227 48867.55729 53170.22232 45589.87472 44966.71635 38318.37971 37532.77661 44983.94893 45176.55744 55417.60321 50988.2069 43229.92786 41904.38665 41003.00064 50818.44017 47227.19248 37490.81027 46164.3027 49341.1703 57776.08575 Matricin 16992.87481 9684.271518 15733.98585 15113.61145 22051.65828 13174.65496 25178.02403 20893.5081 11234.42827 765.1771894 362.6496017 25.95094506 616.6081766 171.0954614 299.2560453 10.72767906 126.2268181 4.07813e-08 10106.63361 49710.19361 2067.22304 20604.8042 58989.97849 61262.44888 36269.52951 35313.23102 51129.51862 75.30368116 21.72795179 151.7114141 178.6889423 200.3316235 136.5195061 597.7989168 80.20671622 8.183305275 12234.99994 28025.70808 3084.200753 18247.66695 29355.81687 38076.53539 51047.74306 32300.12833 40881.23274 38536.76682 28579.21427 15666.6629 4892.098436 3246.74853 196.5361087 5858.512534 112.7320782 41361.62441 (S)-4-(4-Methylphenyl)-2-pentanone 14995.4471 9615.254068 13179.02189 10766.66417 14588.79279 14035.54195 12161.37559 15144.19097 12976.56812 134.9568027 181.7262118 116.2556392 162.2414362 83.00891774 126.1400859 327.7023531 95.56868999 20.41620809 26530.93439 24160.39133 23652.79873 22417.80346 27175.55329 24303.30471 22979.46136 27133.38365 28764.66545 162.4160322 90.5795335 364.4334573 256.8191152 141.5007729 312.2829002 96.0440009 173.0239392 181.8928323 14443.68369 20096.62828 18952.22244 23989.33182 23148.4028 25432.97344 24914.92699 27412.11993 32540.8968 19970.02659 14913.65959 18419.74411 14381.99972 12620.52126 290.4829285 16263.61521 632.9779393 18997.06784 6,9,12,15,18,21-Tetracosahexaenoic acid 809.562183 4417.711365 3425.604483 1862.220102 2716.816446 12508.07954 16401.99797 12131.5584 3848.630123 1.49633332 1.12921632 29.88593615 1.011437412 190.237133 56.04178586 4.07813e-08 21027.54474 2503.302048 214.0204494 2285.52103 1445.076979 2069.835207 1360.444185 4353.098265 13416.11822 493.7748454 1699.309766 464.154145 12.22184018 4.07813e-08 103.1760465 0.548662491 1.462281512 2.945691267 4244.764121 20020.89751 3016.30216 1357.227738 2231.095393 2775.048921 3092.762976 544.5023568 4442.307136 473.2530085 475.155666 20916.95486 5554.673585 5116.743156 6927.745112 7787.375546 30957.88688 5746.000997 8918.686099 6271.752255 (+)-Camphor 175530.8662 177947.2607 199127.1704 181434.7318 182464.289 144351.1292 141418.465 145636.1098 163173.5618 124512.7094 107188.629 104323.2062 117390.855 127081.5253 92498.68942 142544.9902 107094.4007 139220.6954 115141.3043 118226.9118 107352.9231 125127.2612 110430.7307 113138.6561 142180.0086 147583.7895 140117.5191 113830.121 114810.9772 149484.0646 133376.506 111583.0119 124443.7941 103400.0528 121754.3374 152244.8979 130495.4398 112811.5693 115697.9205 108591.3596 117133.5017 122593.9309 118428.5769 161443.3841 139307.288 136235.9694 125435.9177 118649.7884 127692.8196 141974.3083 113052.3206 133993.3896 141168.2414 177272.3026 N,N-dimethyl-L-Valine 420517.3073 532589.1036 327263.3276 457424.9578 370062.0696 379764.5301 559126.6487 403578.3701 429904.9154 102542.1524 90960.743 61479.25077 106484.0367 65389.09035 35849.31589 55244.27245 66460.91643 65085.07392 143746.1001 136965.9029 255485.3509 227628.6788 114350.8981 99459.07696 350865.2058 464815.328 123233.3099 89132.42895 104215.7662 81851.74218 74149.42096 100849.689 76413.79462 93706.09879 75574.632 131951.8481 775012.7464 234712.9629 210748.016 277106.142 168709.9851 286415.2828 94133.62597 494719.7789 151509.2823 175693.8685 254528.4632 360266.1201 490734.3133 501454.7 117532.6344 437421.5369 85626.19898 359419.6795 Salicylaldehyde 89701.72252 100605.4977 63071.90341 56247.76986 48058.56795 53985.65837 87025.50112 132705.8423 191912.7621 50529.13375 57844.09923 85139.79764 54652.34491 48376.66424 65858.62705 64175.88763 82860.17535 125627.2753 33250.91542 31290.74669 67873.54409 22805.354 43293.3978 35471.52886 55464.03044 28078.23542 38882.17759 164268.9664 74972.96067 76313.5008 138277.9622 64837.22008 41166.12742 64945.0186 97160.08845 65047.49752 88971.80615 34951.64899 37503.33009 56059.09502 36075.65323 29550.01523 44368.46144 40133.61137 22957.22293 60662.85199 74719.44326 72178.83176 67991.66389 85534.66231 52154.34537 86970.57125 121526.1662 55917.51044 Lysyl-Leucine 246033.2544 317753.5629 157898.3048 224241.0477 118130.4238 213023.4573 273029.0178 437015.1563 305877.3257 49218.57665 63695.43117 56369.70356 58233.57416 43677.70735 60640.37655 68776.85471 42250.95865 74706.32982 49655.92182 69455.2926 128953.8736 34423.54178 64261.28917 70408.00668 54075.98572 63244.91054 96632.64484 37442.30117 50945.74925 58173.37789 56408.84077 58707.63558 42268.19258 81044.26323 37991.33674 73348.25847 100792.6893 121751.8258 125366.3678 143017.5347 39535.72508 45772.01913 73241.96786 67246.35477 42291.75828 66819.16418 90387.12955 67772.20052 135343.8154 273239.7955 39649.50997 70167.75567 85569.61689 52337.29811 18-Oxocortisol 1410.496104 6488.591427 2055.746792 4785.88033 1194.608143 5350.45319 22120.88278 2592.21502 11966.68045 17338.38809 825.1779907 11496.77762 14750.2289 11341.35752 37997.48901 5507.770878 4.07813e-08 8620.746745 4.07813e-08 4.07813e-08 821.8168256 652.3840019 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12066.85627 3496.018034 29121.17359 2331.238988 350.8674417 29476.70441 4.07813e-08 42706.07668 3714.093795 4.07813e-08 323.6653422 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3497.152939 6819.054701 7909.122974 2269.921373 26110.90529 13568.04281 3716.875249 4219.215754 L-Formylkynurenine 1276.591758 2764.523291 2761.130319 3494.282026 2019.879979 1504.90787 461.9561293 2727.022681 923.0761921 8379.565444 4423.987374 6421.261717 7852.423152 4177.175507 8553.300362 8717.219355 31834.56996 9547.977086 1775.647969 3521.616928 4461.708936 2863.412589 3062.546975 1109.654353 4929.971651 2163.405279 2490.335209 30321.62061 13697.66723 8941.458453 19843.39114 8761.685965 23690.46333 26274.55987 36173.94553 7431.362272 5826.874111 910.2032594 2241.255819 5867.532293 5580.166638 3200.22011 959.9011153 5568.460966 7201.080078 2127.38054 1208.31024 2451.251258 1109.163787 3222.617615 9019.764738 3486.452873 11235.7837 1037.116736 (S)-ATPA 5948.755788 15107.40143 3324.690633 5321.567075 3251.120583 2432.59749 7631.797728 9315.97727 4784.903171 50146.63712 77662.07695 33461.88294 52604.13008 36819.7253 39982.94309 44090.59951 58285.89473 49647.87937 3435.781674 2948.543328 2637.405987 1655.48503 2128.556951 2924.799567 2429.005116 4613.130339 3249.986187 45155.53658 54188.50596 57688.11151 43106.46704 65794.59356 45839.01263 48317.97193 38300.18402 39447.34293 5674.1078 2190.995131 2915.718328 3158.473128 2572.129815 3139.888763 2513.966409 6198.852411 2684.488003 2257.443719 3632.321694 3093.614348 7132.219596 10604.58321 60577.67418 7477.551711 49483.6802 7316.636745 12-oxo-5E,8E,10Z-dodecatrienoic acid 56755.15249 44241.06325 67565.20172 61586.39047 60676.65677 54077.68247 56081.25799 56130.37983 34969.78664 5507.505868 4978.252494 5921.899921 5450.813588 5801.88534 5561.041598 6511.085635 5196.571439 8168.989729 82356.64388 83206.23474 75711.33401 82053.13522 94968.13274 74330.41365 83862.7926 117268.7583 87710.54327 7675.935884 7740.567138 6323.907115 6418.500874 9407.303565 9134.56498 6580.415227 5652.809757 6813.146292 59486.57534 77592.77659 62537.73897 81768.96804 82155.20758 91763.05453 68133.33108 109639.5836 118830.2445 57021.88596 50182.01061 61391.73649 54331.10246 55549.90733 10649.33842 60695.81391 10108.36423 71602.91196 Myristoylglycine 19361.65075 16851.18496 24878.61358 26126.44182 26964.66758 23089.97761 23280.22542 38296.08006 34184.30524 156.4281147 179.5988549 723.0263172 136.3544818 855.0504691 593.8102834 499.3730479 543.7583966 860.1785836 33381.62048 30091.69949 24833.6425 23280.75125 29026.2462 34451.32344 26563.34925 30042.60204 32484.17724 535.244091 134.2462845 1027.572086 420.4871332 1232.310829 716.6565631 641.4360816 801.1895381 578.8134179 20576.70777 27062.89555 26842.78824 24369.99304 25391.73488 28671.97254 29544.13159 32802.63109 35866.44259 19941.65838 13975.79831 23597.34937 20259.26049 16950.34624 622.0453728 23946.62977 538.4167097 25064.63919 6-{3,5-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoyl]-6-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7054.850325 131493.9661 4.07813e-08 7165.626791 4.07813e-08 9999.280341 1378.930272 112766.0465 362.6268806 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 156067.9708 2837.326871 8681.901688 10846.77215 153527.4157 63542.43906 7056.540351 47493.74225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13618.75978 4.07813e-08 95154.12893 4.07813e-08 PGD3 211581.3908 159469.3735 183112.8036 186620.1647 201368.7644 201424.2739 201805.5215 169651.5803 170069.3036 63722.46609 58981.67335 43575.57452 63802.15396 44124.80032 49026.83182 23896.31071 31806.31513 53269.2199 396175.9838 391219.3265 308342.5834 322537.0099 401515.3544 384861.9505 337321.6873 349923.8964 355728.0745 44339.36791 64051.4624 49739.01305 38761.939 83096.49642 49981.01769 59759.2267 26367.99896 36490.70921 248757.8626 343279.534 292251.1485 309867.0846 366705.0579 376747.0146 353050.01 346899.5345 442464.9732 294135.2825 233542.9835 280639.4546 225672.95 188253.4628 88989.94508 282916.7479 63080.37262 258212.7082 (S)-3'-Hydroxy-4,4'-dimethoxydalbergione 8718.560964 6788.735778 7685.887357 4743.09098 18176.09678 7448.312532 9655.068775 3524.723965 6329.049903 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13736.47421 17116.866 22651.29142 7856.078667 24551.88303 14190.75401 17219.83937 15945.05653 13280.62924 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14710.57858 14738.49469 17346.52024 8942.54099 8244.755969 24810.60134 13624.90312 12312.25543 51690.22748 11559.76012 11452.38739 13509.51008 13338.03354 6003.624896 1278.848832 9473.11115 148.8487557 12048.79179 6-((Z)-pentadec-10-en-1-yl)salicylic acid 64836.99319 31953.19282 49727.31868 77011.11558 169730.5631 147246.2935 55227.28818 63840.59336 192472.9526 1292.455725 1123.902397 1131.328994 834.2576918 55.32139092 97.59930825 945.1940633 751.8627514 122.84561 59794.75318 59125.4035 39082.19629 84489.18687 69000.97501 115624.1193 41544.08019 291737.054 837814.886 430.6677856 124.4345645 1395.603209 898.6218757 640.6403936 1801.087503 1302.739149 269.3540323 347.2611331 66688.63623 25464.98046 33643.25054 74258.47672 87120.50934 52044.38933 118869.6116 270637.6596 117809.7786 117338.7257 100979.4562 161926.4393 105632.2479 46797.67262 3216.856269 115547.5912 941.6244266 120690.425 Glu-Val 198276.1764 201836.0774 118697.2581 167283.4438 171933.9076 138842.1849 193902.8755 237193.0284 254418.7255 228309.5677 205999.3016 192890.8424 248940.4825 204616.3083 178677.7659 147779.881 171059.5125 202893.9834 77305.76389 80689.71357 72960.87362 48640.412 70740.54895 79364.87032 69829.51436 54222.4075 74207.41426 259420.8319 205678.5103 203073.958 166647.2589 229465.8207 206843.0442 186714.8398 187777.274 187248.8696 125881.2527 82041.78401 95140.24744 89341.28652 76621.58048 66474.05169 72674.83124 66806.51571 46493.50771 81967.81583 116806.3568 91834.34546 146843.0607 162464.976 235997.4393 113505.9539 230382.4998 108631.4245 Spisulosine 9104.276581 9405.917718 8763.723135 7861.84596 7914.191547 6507.098584 7120.553328 8945.519727 8477.360754 17755.67824 8458.675386 6103.954518 6504.396283 10838.34595 5319.261591 13100.83635 7480.032503 9986.259017 5432.665117 5172.13241 5049.664024 5509.172479 4143.532474 4932.859542 7123.708202 8075.173391 6397.020738 5199.520988 5882.522044 6150.76891 10845.56205 4680.582632 6087.586595 5317.151125 6107.15454 9616.020843 6736.676998 4594.297988 4913.920665 4655.585362 7617.036061 6741.199659 6739.954457 7298.347396 6717.955162 7282.038788 5418.079006 5275.597181 7948.120199 6503.661552 5534.076935 7392.421845 9198.148161 8164.048679 Carboxyprimaquine 72914.59852 46445.57331 70114.13542 60541.63567 70433.1825 76574.97227 76960.69028 73997.05028 66377.77119 5437.649675 7402.619559 6170.155636 5722.649077 4923.603242 3621.77872 5095.551181 2186.863722 4588.72355 187273.0687 171846.3705 118353.1923 143175.4374 173908.0234 164581.5826 152674.7111 199634.1052 188581.9583 5203.605559 5709.535815 4655.044865 4846.892074 9509.833402 5977.486332 5524.469123 2216.218606 2479.669808 102052.921 126592.3147 109422.3752 131077.0268 156625.1382 157694.4127 155961.7389 198136.98 211037.0944 201601.609 128709.2315 119364.7826 109290.005 77809.3357 9471.801425 107944.7913 7307.400941 141731.101 6-Hydroxyindolelactate 4011.278232 4824.412218 3825.584795 4974.11201 3580.789417 3409.601863 2564.747298 3599.241297 2312.063311 1073.160536 584.711853 776.3340841 548.7349018 1077.366626 636.7662755 834.4015873 2639.770458 1425.663559 5773.36545 3435.016375 4057.857194 3602.768984 2874.142177 2063.977666 3155.249858 11235.14878 5279.312707 440.6248261 1027.906533 1385.970372 962.5585751 1927.787533 1191.099698 348.8554178 1189.797908 1236.345915 5939.330958 3641.490897 3540.917024 2667.548895 2863.245787 4172.677418 2746.867279 11291.8919 9656.408635 1639.258667 2090.221612 2363.469313 2857.556734 5297.272017 786.4724657 2233.082207 385.6144936 1991.741488 Suberylglycine 1864.449166 6469.069852 1925.102017 2733.327048 2312.626448 2427.453552 3564.96854 3187.674919 3357.397962 17886.35207 24474.00706 35194.62169 23592.19951 28964.55501 18123.90507 21513.48301 20510.58615 27767.56134 1963.679702 3274.145659 2232.73667 2811.24164 2810.8813 3407.041149 2906.570803 2541.540791 1928.275187 27733.14247 24702.0509 42739.3504 19361.24704 39217.21295 25183.93064 22795.13499 22043.35173 23764.47335 2450.084924 2203.192126 2028.713208 2832.598977 2450.35501 3537.637455 2743.903985 1825.769252 2570.86352 4262.130031 2655.905238 1858.855078 3175.72178 7593.627091 36385.87996 3893.282628 26193.12364 4657.484026 Naltrexone 19313.68079 48593.73056 23379.00451 36733.91983 77622.34701 25123.22392 43912.12647 4995.65083 6041.268316 3069.015323 18715.0099 13255.04646 3016.758084 14720.36222 18543.42485 18818.73487 1250.896934 1533.932529 14686.28982 16670.16793 15537.8587 16362.44597 18257.02044 12535.89453 15399.97208 16600.93315 18291.3256 1643.064211 2656.392033 9745.884266 2551.561491 5903.009008 10015.66225 3547.176087 4509.926866 7508.491241 11352.60358 10295.25484 9026.357345 13279.18489 15453.98475 15865.03081 14508.24383 14345.08685 17865.13505 8724.237931 8520.394215 10886.39532 9237.418761 6483.769913 2965.592309 8854.214914 3246.575605 11599.19717 Lucidenic acid C 112173.314 95432.27644 116733.3965 141372.3902 147403.8807 98194.51437 88447.27416 62142.81729 117985.0863 59623.66057 56861.13527 75958.77199 59575.366 123317.6778 65036.94225 43818.47207 16373.92312 109747.7927 146303.7274 158080.6925 128225.6267 134666.1001 154669.9287 130506.0217 131514.6977 154252.6055 148717.9906 32523.10282 48744.36136 71962.53379 55764.61744 68752.48542 63204.67562 43958.23916 45630.67697 66213.0266 106101.0172 109038.2885 101454.5517 126035.4816 143224.7551 147484.604 125204.993 138794.5737 162090.677 117901.0535 92726.98461 94475.71859 98432.80169 86957.21471 74592.29496 106650.3794 52621.16201 108360.3463 (+)-Armillarin 22499.45229 10058.13869 11432.95943 11678.46605 11901.77848 65757.48308 38019.92867 31888.24755 43430.37126 4254.732353 48100.90103 2335.64962 4123.160746 2983.569301 2983.059646 110581.1992 185531.846 5056.212641 6884.549029 7810.795815 12924.81377 23849.76917 15573.81004 21957.26353 7845.348809 10353.68641 7679.852312 99516.18953 3477.168607 30795.69986 4177.235929 67787.99139 61985.18169 3319.033612 83690.79265 5525.314673 45186.40146 17704.65868 34682.64215 13685.17148 18914.42567 9445.622523 25312.4204 10727.66722 5590.703753 6120.118154 8693.660892 10738.36249 11675.05315 8652.907228 9258.742677 7686.597509 11953.91699 13008.55321 16-Hydroxy hexadecanoic acid 45871.18626 38112.92037 37704.11037 46032.51031 39784.37414 38648.06419 40948.8733 33053.19641 38836.59524 20684.72392 37607.17655 26663.02682 20928.78888 26179.06368 28775.59335 27118.77933 22282.9908 35997.63206 28145.93379 31437.41513 31323.15511 24900.18108 21831.94957 36989.02834 34488.73743 46299.53151 24277.66023 31025.14471 41680.78508 44513.23852 37416.30723 36646.28132 37567.32375 38340.20093 60666.36708 46155.41164 47002.19306 30610.89426 32569.11866 40366.77618 23592.00527 25781.82388 37405.04009 41243.52383 20936.57548 48329.44692 57092.80679 25202.42806 37785.25299 29741.51908 33222.5687 27137.2779 67740.41025 38906.67603 4-Coumaroyl-2-hydroxyputrescine 9689.763501 5651.526104 10422.8284 7231.238467 10777.62778 9064.520131 9591.018886 7598.447226 5615.605739 4.07813e-08 42.73889977 4.07813e-08 45.38593823 4.07813e-08 91.1930175 4.07813e-08 4.07813e-08 63.65219018 24572.88139 24852.77336 12303.28864 18443.60606 26452.02378 23627.73312 25506.40843 28252.68486 35814.19087 4.07813e-08 42.02122203 145.1454186 4.07813e-08 4.07813e-08 4.07813e-08 128.0755882 4.07813e-08 4.07813e-08 15313.18745 17508.19971 12010.51339 19945.27582 21560.63686 22870.54103 21728.10498 27139.76175 30816.35858 21766.61624 16330.20012 16438.78038 12787.62328 9505.704254 147.3356447 16562.21692 61.71256071 15844.11464 5-Methoxytryptophan 65846.88832 45157.38325 64148.22418 51046.94011 32093.59424 67198.48894 57543.82758 40667.00462 26316.5956 26579.31993 32148.55443 20402.44042 25162.87166 15044.23951 15433.92467 21644.8419 19895.54422 11766.83311 139858.4652 78136.77817 139269.1574 108829.6434 103639.7881 87452.72607 112926.9374 138388.6462 87091.04925 47097.15551 31879.52474 19597.19868 38913.461 31912.27801 32518.79038 61588.43097 32310.2114 16377.087 141564.7516 92398.64052 134304.1147 81174.90434 102504.9172 104510.8894 84669.89187 134393.6129 98579.1939 53190.09333 43377.15275 89889.4621 77964.61569 74575.67646 37167.72822 70975.72921 34917.37401 64161.18728 4-formyl Indole 160230.7635 157951.8488 85246.57222 128398.9871 115533.7582 59921.10139 90616.83804 124584.0427 66554.45909 31218.36002 27881.29588 20131.31592 30726.56584 24428.5801 26973.17707 19711.23953 31340.05786 26039.31603 206557.7378 64872.76741 95664.34989 193123.9119 124656.3611 7673.836614 165077.2186 150315.3507 26611.38662 24388.27427 31076.39888 32895.38389 30350.0732 48233.71431 29560.2676 31494.58338 24882.78966 20514.34344 292911.5428 86963.40331 124622.956 26250.50753 176549.6003 280449.4553 8322.455737 117023.9622 248219.4024 7249.006307 16150.87105 58357.17935 208507.8015 131225.2063 39069.42231 62652.0229 27710.42737 61112.87539 2-benzyl-2-hydroxyheptanal 7451.596321 4401.090179 9520.349915 10220.76364 10761.8171 14096.61734 13892.195 4030.432591 3837.983976 4143.331833 1044.186483 3139.751166 4319.413839 3972.62837 3596.028603 2264.634991 553.6630671 2051.425869 17275.62782 13194.64692 12163.47801 17516.27883 17013.53063 19583.58657 17773.91697 17481.21443 13917.03202 966.7198487000001 4492.699296 2545.979151 3368.503809 2108.628083 1146.377481 4417.52554 639.4299807 6190.221552 20917.96337 15633.05572 18275.01789 13222.64984 16245.03337 19022.29152 18723.65907 20043.92698 11140.50471 21513.11341 18143.70314 21145.84549 18168.19811 14839.92531 11566.59812 17950.83714 5124.917903 21850.64608 2-Hydroxymethylclavam 36713.23582 65648.88199 39333.91976 119406.1433 51802.15585 39426.62703 48248.94958 29780.19373 27696.77696 15981.40181 17059.43443 16715.75641 16048.47566 16245.97968 15221.90786 19683.30159 19938.71611 16177.73956 50936.14126 47731.08061 55345.09306 52244.9358 125566.9563 90892.53659 78033.79836 51197.36371 40344.97764 24390.25062 19530.28046 23856.81765 26557.25472 27111.88109 21452.17739 17404.02485 25460.26405 21324.90403 27167.22129 28683.47646 22594.86437 39128.39745 87459.32309 87556.63197 119395.6117 58622.40856 50368.3132 32072.36897 20665.64245 24665.98166 34462.49647 23580.33882 29724.11578 25944.10672 25510.82367 26957.69992 (S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside 4.07813e-08 2234.326834 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67076.14415 109232.9061 79432.3013 78789.41957 43962.26655 34054.7219 23712.15813 16995.40637 26865.00646 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29115.36289 49754.64237 48402.85234 29177.01885 51688.14962 40556.46736 56050.50483 18017.60547 26275.10506 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 159.6279231 1127.193396 48668.05631 4.07813e-08 77725.69904 1260.671378 Succinyladenosine 4.07813e-08 378.3917727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1041.0012 52875.37997 7450.20106 534.8918065 1133.690296 413.9541372 4500.867751 89359.00008 579.628448 2943.226506 3000.596474 3462.669673 1545.953953 4.07813e-08 4.07813e-08 2545.277733 10189.80236 4.07813e-08 89343.54006 1921.281469 25241.40219 3390.163044 69051.81665 950.9986297 574.7672383 50412.58279 3843.026497 1447.699175 485.9481008 4.07813e-08 4.07813e-08 124.7508148 1782.696063 4.07813e-08 9446.849612 4.07813e-08 520.8629423 2503.478079 765.7901991 2790.523627 958.5184594 3136.975798 3335.532239 8112.078546 125.6150154 [3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52721.72285 28709.92567 117726.0201 30522.31829 134368.5315 41611.54216 42911.08423 5845.253759 127160.4702 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 77620.45154 44448.13557 29571.25037 25934.42636 3906.08068 3793.937271 835.4126034 106752.1711 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36583.10019 4.07813e-08 38580.88629 4.07813e-08 Cholic acid glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 940.0766752 557.4677988 3941.176817 1405.060336 1718.956262 3007.328141 30074.54565 196564.9274 37070.98223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49563.39935 4009.510665 10597.92948 1846.883678 43135.06301 6742.990806 1751.684818 100711.4236 9567.198406 4.07813e-08 4.07813e-08 49.32033959 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2524.32115 4.07813e-08 1197.822481 276.054477 3alpha-Hydroxyoreadone 29875.93076 21886.06498 31305.02298 34232.69847 32679.42643 36980.40057 42140.16759 21530.39843 34636.12589 3432.087882 3543.005577 3163.498526 3975.757563 3252.492175 3498.998761 3389.818825 1985.000774 3828.251052 36146.96714 44046.21761 25722.66542 33816.92013 39264.99634 43894.32201 30741.49859 21904.80195 28818.12299 1980.086176 3874.974495 6226.080814 4015.195603 3645.517734 2844.019738 3995.302849 3191.31113 6985.919263 25004.64949 36651.46776 28050.09897 31428.98085 36609.07815 35034.52055 40834.83869 24199.56157 19263.51005 50127.97779 37988.55195 43047.11334 28668.9334 21764.06908 6263.761671 39077.24388 5003.264349 31321.55121 Isoleucyl-Threonine 122943.9858 135689.6188 81717.81722 145253.9615 70517.49625 101897.4836 181740.7117 172223.2402 275115.2821 27423.30302 32921.22374 35796.35219 27412.27059 15983.03543 39750.02942 39237.88731 25080.50472 24533.52719 27896.07179 33002.89566 51120.35646 19813.60804 33408.57125 31674.93492 33294.08643 26636.7563 22971.37809 29955.37283 30684.12234 14898.335 38061.38438 15488.718 23811.36803 42525.43516 47504.27589 28532.32975 43382.34401 44210.7201 51417.00276 61786.55423 24670.50278 24961.69195 28530.38898 25069.708 20766.43534 29592.10413 73716.56869 44102.56433 78812.82901 115544.8028 16997.92221 41387.37382 25723.10809 37000.31612 N-Seryltyrosine 36047.82157 62488.07105 20208.12997 36293.62795 18984.01304 18869.33099 42120.35938 53445.97881 57954.32508 15759.07786 21936.38403 21720.87716 13774.97667 8541.533333 25364.70108 19621.49334 27947.94837 11411.95417 10456.73086 13729.85947 23420.11984 9495.049678 10218.98646 8046.491587 12402.34433 13233.91634 11062.47994 17914.77815 16520.73882 9468.245193 18513.93952 11649.44883 11393.17073 19573.87843 32818.73063 10829.49951 22126.42857 15125.01588 16917.87357 17025.71517 9432.984509 9884.435376 7707.530259 12834.99917 10469.38064 9666.341965 20615.47878 14236.18023 35110.44052 52696.66368 9188.240279 13351.2269 12660.70431 12441.5292 O6-Methyl-2'-deoxyguanosine 10038.71806 11013.38519 12258.16555 10139.09515 10430.11024 9875.834678 7006.754278 17477.84765 16344.52519 17030.96804 11589.20897 51651.26151 19358.51347 11550.63691 21521.67191 12275.32984 14453.59534 12697.71472 13868.18965 10629.53842 8487.158799 5304.039189 11943.23309 16771.77499 11910.59958 3075.289214 10299.63011 12107.88163 18409.35006 7639.444238 31798.60294 7725.110379 11273.9845 27090.75511 18041.39195 13981.0348 7497.400899 11669.49347 11278.70763 32236.71167 10700.81235 10816.98095 18177.18167 5259.456303 2459.971342 24583.4432 9953.992417 23453.51161 16939.33887 16966.90123 13410.4498 21132.16553 28313.09643 11471.25988 Isoleucyl-Glutamate 113981.2593 209363.2083 57341.16357 97047.03343 41543.07918 30713.5013 152936.0262 160080.7708 157800.428 17697.5475 23805.73309 33121.88948 14670.17072 6615.174 21312.94587 11981.66324 7816.724453 14011.1286 13037.97029 14937.83881 29477.08139 11559.25688 10790.69044 12596.54381 17756.12222 15528.75412 15420.98377 15273.46245 14294.78004 7173.415803 15909.63147 6213.819437 9904.219545 28027.37062 13835.83734 13658.69507 24537.34834 34990.69069 35565.24011 24416.61892 15692.82831 14991.76423 12102.61548 16240.95897 12632.70581 9551.833293 38136.51224 25980.20492 75786.70884 106829.1017 8763.107674 43247.83518 14415.35275 27633.31243 (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 15322.19682 17948.46393 23353.3265 32055.95505 29605.69542 24367.23584 19428.04141 16926.61192 16643.24073 5111.889928 6590.850673 11808.81745 4429.792018 12258.13686 4601.446627 7202.779383 3504.581039 5252.358109 22246.19893 20766.32738 17425.20259 20434.60737 25537.12684 24321.74403 23607.12802 24088.837 25458.82167 5014.268317 5333.500949 8655.738844 5554.206294 7529.14855 9694.758659 6268.928713 7815.747574 7518.381736 16536.36735 20191.41325 20826.63415 21645.38792 20680.87867 23154.2546 25836.14587 22002.80035 27955.72106 17865.06955 12897.51084 16278.51852 13451.97764 13823.61309 6102.281553 19012.7696 6225.45322 18029.7274 Vulgarin 2275.289968 6439.05384 3548.211636 3755.898748 3223.906859 3515.06571 3636.06099 4437.529078 2392.957281 9318.276964 6361.784828 6565.773092 8281.504293 5846.820463 6220.780948 3805.58149 5591.339291 7389.51884 3829.182409 4895.327024 5329.361422 2671.669062 3701.988105 4241.839911 3356.21366 4170.879915 3633.782498 7685.208678 7914.41819 5603.606495 7805.599671 12558.30545 9474.823963 38699.06197 5942.266596 7301.488541 3480.564319 2577.15157 2565.942909 2903.352245 1541.311681 4624.740138 3176.904226 4537.483993 4639.410951 2849.310979 2625.698544 2754.110116 3765.744512 5237.442368 42671.17 3843.684066 11473.13842 4233.611258 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid 140545.763 155987.8294 217806.7792 179849.9038 232805.0811 161421.2442 182478.7007 164407.8813 196609.4749 33253.1565 11121.92383 48052.26074 38487.94682 48420.38587 58417.55515 14613.49653 13211.13233 164893.7484 146089.044 149732.8013 180355.6039 141549.3389 197084.6563 166232.3922 163502.4334 177173.7392 489242.4391 9128.453803 26987.0923 14053.59124 17008.1706 14347.23442 8848.264866 20642.41864 17610.73907 26383.01932 127736.742 166137.584 211898.2693 215027.6659 145110.6822 188604.3098 155540.1812 162105.6945 547438.4464 390174.6115 153405.6942 138441.138 153123.6432 98388.26461 38552.84159 145591.404 13562.86738 171524.6587 Adenine 450140.8852 62113.61201 296851.0939 132382.3509 85464.33564 96198.89249 134184.5679 68929.86905 154716.179 8397.426557 12466.70938 4545.769813 5607.252161 22077.38173 2899.553451 9114.239182 5708.179869 31957.53449 187209.1152 173126.6334 416911.6846 575792.8914 67332.98043 37116.88967 121429.8078 1188209.599 1162270.454 8010.331597 7937.585167 30330.84174 4675.921931 86703.2242 9719.672074 4944.863544 5028.588554 8169.218277 358470.9851 81726.82191 179801.8167 35623.1286 218031.8067 186170.1728 38223.59551 795284.6891 615784.6004 137216.6074 349346.842 36359.84931 36858.21815 16030.39947 27967.62864 32819.31196 5425.413602 112572.6299 beta-D-Glucosamine 16072.56594 35287.50097 16386.98838 11103.77589 32968.03757 9652.3705 11235.87984 24739.78783 28111.83524 21704.69303 31964.83217 29508.32674 17419.63126 29024.38041 26350.15465 37134.12567 44427.30185 15550.1085 19533.74827 19192.82003 22305.25637 18282.20735 8639.94136 9909.92864 15486.15053 132618.9306 106604.7595 59121.76204 40868.49867 64577.70281 75579.70193 87554.71297 52248.53806 27808.53809 54055.73706 51749.19087 22559.77935 12567.90641 14121.79112 9212.809551 19976.53754 18787.12767 12724.10607 182123.5277 23333.60759 17574.13878 12905.98669 16013.53038 25520.79243 22350.2629 84998.17791 16780.01462 67505.13647 17209.543 Thymine 70196.84916 123295.2937 81173.6673 58131.63224 97674.54105 74354.65224 58285.47043 176901.5972 125185.3021 10079.55626 6560.996312 26394.46114 11311.76668 8022.108467 8331.624246 10566.49583 9674.022518 17289.42119 71662.1489 66207.38959 109510.4253 47859.14459 132572.8088 56073.71547 55101.81393 44751.34522 85768.61919 18878.13179 14584.56784 17420.80917 41789.9312 16234.40728 15425.78842 13355.8777 12631.52228 14563.20269 61184.73208 53668.84569 60751.96076 91005.39909 115315.8992 99325.95856 99453.12184 70494.96146 79942.07147 163787.12 35745.05914 125871.3174 113983.95 113541.2469 12593.07359 125242.213 20109.06182 85830.91467 Valyl-Proline 79206.92862 70950.07222 75493.02796 92176.32476 76359.82074 80001.19734 87648.40617 71772.24377 104015.5244 72676.74528 83645.3485 151244.2843 70891.76974 65669.94455 89834.11304 130827.8783 105366.2901 90869.89486 106387.8194 108976.5608 83796.67865 80817.09866 112688.1405 135030.432 104232.1646 130869.0641 120933.5342 288858.7938 90003.13958 169155.6124 134296.5024 113999.2564 146927.0975 114588.9381 133676.6444 117443.9715 65778.65036 108307.8791 81055.16299 121898.3609 94016.57128 100133.1141 113513.9902 114802.7411 119431.6336 95449.03579 83146.78459 90629.23114 81765.24506 63994.31154 69620.7635 79608.74229 113496.4861 70151.3845 N-Hydroxy-L-tryptophan 7829.86007 10503.62789 11195.62118 6670.757179 4656.739039 4387.529874 8367.602368 8683.174905 11514.61653 64715.99016 51880.83951 53846.01108 65498.26398 46115.15736 51435.38891 39522.5717 82957.76836 96330.38254 4956.715564 3573.497826 5928.518295 3910.562522 3354.533469 3799.357708 3973.448882 4575.800497 3740.701495 80532.48878 74999.22529 65328.04235 74141.85484 68847.52773 88547.18102 92683.69207 52369.60869 51864.48743 10590.06328 3594.365055 3757.275005 4468.870569 3275.358411 3502.555997 3068.564091 6761.193306 3579.777786 3709.50543 7314.420124 5967.816343 8484.117071 11691.59182 63917.2614 6338.552966 80437.22913 6241.594956 12-hydroxy-3Z-dodecenoic acid 11520.41703 6167.698787 9237.189012 8788.111068 12399.16272 9791.010051 14467.89215 8960.869929 7264.16309 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11175.69567 16477.75773 7392.215736 13394.28982 20690.3632 30169.97548 15141.28085 9670.302774 18259.29798 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 87.92491737 4.07813e-08 7783.326448 10265.87437 5878.015332 10765.88003 14490.83747 13888.22236 29069.44584 9112.295219 15141.50885 19025.14418 11768.48845 8001.199579 6346.391751 6160.158442 4.07813e-08 8400.655569 4.07813e-08 19422.96975 Isoleucyl-Tryptophan 71503.13192 32240.82521 34637.43382 36328.73848 34550.93736 27736.78304 24392.29682 21933.3699 17540.00592 5671.681663 4615.89611 4893.704005 5137.440732 3145.071877 7108.470739 5996.414638 3713.921935 4816.789776 19996.54578 16460.07349 15197.57477 14502.52057 13448.67727 19478.27028 16444.515 15028.34455 17305.98382 6308.8953 7033.895697 4434.830279 17829.96223 3789.138123 2925.167857 8262.842632 4875.204645 11851.98638 24394.13823 18708.65624 20293.79653 14183.58586 19987.09475 17743.82283 20200.49904 16928.10192 12415.84467 38501.59242 37751.28563 21424.94564 27888.21691 19450.87995 5254.371107 23799.01138 5083.261062 30949.35428 Marmesin rhamnoside 27.62518998 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 481.9408475 4.07813e-08 4.07813e-08 4.07813e-08 186.1645385 453046.2362 231.3623608 4.07813e-08 1024.024282 15187.30741 1300148.498 126143.0106 4.07813e-08 173.5011248 581.784437 185.6232186 290.7258553 64.10120343 248.3322162 282.9456735 205.073304 317.4001866 1845480.18 4.07813e-08 528399.7649 4.07813e-08 63717.52788 135952.5883 80.46127569 243504.7464 12171.72281 128.5321389 407.356476 4.07813e-08 4.07813e-08 263.9271453 258.3703413 196.6886162 273.2161183 84.32342519 4.07813e-08 4.07813e-08 374.4021553 4.07813e-08 294.6181447 12.28558496 4.07813e-08 210259.7783 365.4179257 Starch acetate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4943.065875 4.07813e-08 196.6684756 7954.373184 4.07813e-08 2943.51837 4.07813e-08 2188.193486 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.00060493 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35704.89478 669.591208 4.07813e-08 6699.738066 871.5694677 11466.37118 18766.95806 10784.23686 213.0930596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5997.158695 4.07813e-08 64.56554184 4.07813e-08 Chenodeoxyglycocholic acid 28142.14823 46313.02294 56134.09422 20017.85312 16803.69627 56911.15063 19582.4262 104556.4298 112885.2118 2250.401034 6741.167239 9883.619574 1624.277824 18500.78596 15552.02333 29906.1824 34137.08148 8913.987807 144570.4033 87914.48344 107693.2788 54006.39991 38681.29545 14912.91385 17040.07099 3017.56006 3311.369012 18921.31827 5684.09992 1814.400138 4825.968766 2757.050797 2525.379259 12867.22946 15657.51362 7436.230772 69101.77381 48945.12645 128208.6503 103893.7462 32853.59674 40271.9995 15178.72559 2125.676289 1567.463451 287212.9907 179956.9936 105918.9017 102549.702 43941.60311 78701.31496 120867.1978 9737.356007 41810.3645 Xestoaminol C 258949.3423 243631.5208 242656.4364 232247.5098 224182.3031 180091.3317 202537.4974 222907.9878 216175.5202 150329.7032 129629.4724 105905.039 129732.8567 157009.4195 120088.749 171904.7859 133547.4627 148310.4549 156499.8606 148019.6192 137945.0637 134347.5269 127468.3495 139264.1158 179615.5152 193286.5258 183365.9104 133330.9605 134116.4827 136606.6159 140469.5327 144621.7692 147805.2015 143753.9432 120866.9981 177638.7053 186662.8993 164380.777 152990.2095 153911.5328 131364.3725 148811.5724 160258.7562 197085.0934 170558.9229 175138.9429 164048.805 122805.4851 179306.2216 186808.5955 135872.0207 168191.3762 167470.1587 214711.9527 Glycyl-Histidine 11443.90275 22710.3875 1399.923652 15381.25981 4232.678406 7875.318769 8283.052027 14629.33183 18797.0937 32395.25228 51120.1396 60855.2654 39646.32164 48535.30594 33534.89455 33434.58791 12300.75065 20915.27303 3115.152312 1946.732649 6184.435153 1916.784749 1809.319979 1897.88726 3009.005099 4834.958063 2086.250794 57761.60294 20888.46341 16514.41706 23356.93219 14866.41407 32655.53538 28448.12705 29171.52553 21613.05144 6576.616538 2109.474712 2008.245344 4966.170081 3490.467319 2663.323802 1732.349188 1619.380262 3288.373942 462.4768779 9885.38062 3761.520284 13199.78382 14393.94074 24062.83177 6130.471354 96421.92228 5585.029526 D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose 104662.5066 327875.6219 109049.1879 114969.1493 77297.63199 113065.9116 319832.3883 122051.6354 81181.13978 1169052.218 814749.1593 389369.0153 1214965.546 308513.6967 816017.3978 194772.7794 270659.3043 447904.8367 58755.08646 57973.98455 68991.9387 62267.40077 62440.08786 60264.80917 60450.77555 80900.76772 79365.92742 955041.8579 784935.7671 336061.2126 672497.4719 1066265.794 692640.9176 1110470.904 248759.1178 294317.734 178839.1747 67776.49051 88055.22958 73346.73021 67779.17749 80251.05048 54912.24421 88575.40828 66443.75131 42990.17539 50862.42127 99039.38267 180914.5577 320007.6679 1080405.61 126712.6568 800142.9604 182176.0152 Prolylhydroxyproline 76398.35067 71008.68386 72232.58536 79383.00216 77572.8261 55940.95817 82558.27301 74318.59815 77495.91533 1423439.14 771357.351 840487.3043 1504372.168 549190.2548 1343094.998 1034376.469 856307.6046 3217338.072 67993.19584 83315.84381 64061.83294 59319.65738 73077.25527 80380.87895 68379.56858 91758.17645 83459.53022 3387429.086 1624768.364 1351802.767 2388355.903 849197.8158 1171759.614 2448374.454 1120165.294 1066823.009 51882.08827 66190.61418 65317.85446 69473.72336 62631.7567 66792.1843 74449.90586 90677.893 77265.3921 69135.35322 69670.03875 61020.35768 67819.71803 62235.36553 1856542.287 64750.59267 1977621.493 82981.58946 Guanine 46101.64266 110367.6298 51747.06807 41094.02958 40671.4087 35992.58614 29290.38737 95627.06359 110608.0407 8953.185912 7967.996021 103554.8236 9261.295528 14017.33455 23902.80736 12263.57385 21883.09461 15332.16418 137504.2016 60327.71557 57881.95859 40244.84425 40182.21813 92304.50754 39678.60017 14838.15421 25215.04847 11765.10196 16086.5507 9198.279362 28010.56705 8962.370029 5664.53162 8695.46565 26968.43164 14954.66773 48071.72675 50711.71279 45149.92149 103658.9817 48908.23178 34341.468 108467.0681 23117.37947 13321.0892 133990.8358 84745.51075 159715.6451 108894.6759 166951.6929 10595.75616 103958.9922 38240.65934 27753.92737 5-Phenyl-1,3-oxazinane-2,4-dione 5890.675011 9897.697135 9310.160449 22841.47896 8425.065549 20720.65026 7856.755258 4254.375266 18279.64433 115375.6436 28810.95266 4897.609679 11341.3267 7868.85608 6466.027173 11546.16984 9265.37493 9675.372204 4074.486071 5575.142087 11748.40239 5046.244878 4961.187382 3535.479789 7235.675854 9299.478997 4184.446326 8608.528832 5786.046058 6027.468566 7859.244754 66675.09654 8737.277155 8011.66636 12477.04727 5576.938076 13937.59063 3286.145509 4702.287362 4031.025339 4470.43736 5574.186035 4069.50119 6581.980896 5620.191898 3601.576974 4497.822016 5095.61327 6173.678679 6141.407552 8834.597267 5936.347796 6809.062261 4508.915766 N-Jasmonoylisoleucine 8259.871154 13939.14013 10868.56213 15573.89704 9992.977074 9213.827659 16293.79481 5650.723714 12616.37411 17176.61866 17059.64459 16202.24141 19588.94389 13394.73376 12922.09534 12451.52335 12490.18067 17319.79828 12413.68207 7582.942474 7094.629274 11123.5787 11898.95728 7772.66715 9330.714667 8738.200004 7527.45846 15000.77998 15278.02344 16589.69935 13715.91451 17922.47925 17747.99233 17070.54647 31799.84535 13070.28984 7187.356681 10653.15292 7382.0514 7939.960383 7517.378149 12038.05575 9518.448984 9902.49502 19525.76375 11875.94557 9698.006392 11452.20235 9872.36435 6904.261792 21035.2522 16773.13408 16349.05779 10816.55613 Spongipregnoloside A 102434.5205 78860.68763 89342.71298 81156.90732 74981.90831 96047.93791 136433.6815 75703.49433 31457.35371 244.1246983 26.34426477 262.3273176 4.07813e-08 3386.716637 407.2376263 190.2544573 1174.748169 4.07813e-08 77499.56415 127700.2466 84251.05106 270763.2462 154673.6133 223305.6668 156472.1805 171181.6114 118093.1293 982.5837594 175.3477607 1697.233799 4.07813e-08 4.07813e-08 415.6756733 4.07813e-08 193.9939295 1670.880937 65337.67336 95982.35409 57444.62983 83426.40899 114644.4751 96316.61242 88870.79544 77929.40236 63597.97116 154995.9557 59444.99299 56049.30383 64291.31376 29529.00013 2940.178225 58333.55794 1058.916061 109909.3354 8-methoxy-13-hydroxy-9,11-octadecadienoic acid 22896.44782 17199.001 15294.33318 10449.57262 9252.057991 16618.14969 25802.06386 38551.3413 31340.09559 14369.17808 26637.38408 18881.71111 9509.505574 41143.33031 55976.84095 12157.96264 45319.21457 48734.30072 17163.1393 8492.825801 24563.89928 11645.80864 18613.84549 11992.264 20882.0685 24075.29586 27961.29758 28007.44434 25461.87361 31370.63532 35257.26558 42177.42602 18143.31229 28837.8961 45745.4698 22576.97212 29534.38483 22462.24572 30138.1409 24138.69473 8617.310173 19678.1819 11498.68953 31061.43162 6536.969912 11579.9598 9714.81403 27313.9505 33597.67096 34998.36518 53894.16021 22073.32014 23633.99024 17645.64417 Ethylhexyl salicylate 8896.103436 7159.226 7068.095386 7809.393783 7009.204398 8901.367752 8523.305511 9109.362236 9831.608242 7699.456486 4390.984283 5176.33117 7447.016435 8655.325915 4624.115355 6900.778373 4795.321326 12765.02612 5431.117705 5930.878179 6900.486252 9435.654397 4956.934782 6395.247476 6377.227698 5153.988935 5437.14292 3294.319469 5425.647881 5223.975276 5657.596125 5127.64805 5183.105503 4340.675141 5206.793541 6105.71979 8059.600145 6901.704788 5922.680238 5899.61657 6139.683786 5358.782362 6051.320102 4897.34443 4702.037474 5931.500202 5522.008295 6329.842001 7729.597361 6783.153833 19142.68698 6826.212691 6736.011573 7680.064569 Alanyl-Tyrosine 52775.67467 83620.97855 31981.16138 49649.81759 26881.70028 27404.23801 56525.7419 67415.59437 89847.42385 16348.20299 18198.08518 14563.62717 14315.99494 8554.535207 18796.17842 16249.93898 20749.17581 11196.56858 12658.40006 18432.27192 33929.92379 15108.91228 17994.93569 13140.02315 16936.44758 17127.70118 22455.6748 15863.50043 15176.79853 10677.48944 18139.45681 13458.13925 14359.04624 17386.67575 21603.23352 10849.95269 23708.75707 22374.74346 24197.02685 27731.72992 14500.66151 16832.70167 13006.28431 18889.66678 13675.02302 15316.13535 23558.91739 19020.20826 41320.91929 73518.12876 10557.79966 18654.38568 18148.36108 19626.92384 6-[1]-ladderane hexanol 14332.82355 59180.60466 13110.65877 19889.67951 14538.48532 12213.79843 19507.93586 20092.07404 12066.56821 12083.67645 9704.503046 26744.32471 10478.28433 19931.02953 31747.74806 15755.79157 12791.36541 13244.15862 11338.40876 10729.24086 11699.55271 18725.37269 10907.20523 7790.712925 7701.956896 26597.8582 8022.210688 13290.96328 11803.0388 14414.69506 21620.34034 11269.69716 10239.09385 19092.03837 84870.42514 18493.98722 13593.26231 7910.873659 11163.60408 10900.60048 13809.43589 13862.95485 11651.70718 9056.249162 13882.13789 28336.54581 11958.87089 10428.83141 9754.919717 8786.20511 8732.245015 36514.10574 14005.06883 8593.174558 Valenciachrome 236.0578026 4209.421307 4134.565633 10208.68697 1745.650982 9223.338331 10330.4657 1013.884459 1813.421258 23479.25347 2020.32417 89249.92938 19286.3119 26260.15654 209608.9378 44828.89919 20397.73113 20574.95727 4994.628171 6894.802639 4683.422297 11236.15868 5786.588197 10408.01608 6834.590636 1644.011111 2108.509712 7658.814823 42208.83423 29979.33869 109559.7523 3242.01335 6423.625451 131694.3901 6225.768866 9856.817467 2483.161166 5781.01526 3842.670824 6223.042299 12047.47986 3349.153553 9449.858441 1258.117729 1509.476433 16489.13707 16634.47448 7714.748372 4853.097671 997.0824018 26600.71461 9677.140024 43064.0913 2039.45535 Phenylalanyl-Arginine 26754.373 82557.07315 13224.61412 19388.85102 9753.918299 33772.07157 72643.87951 72708.15385 27832.3778 24388.70585 17707.0616 12170.71652 27333.01489 9823.082456 18310.15522 4125.529029 9523.28027 24230.89703 6760.015104 7038.737509 27496.36819 5758.991091 6136.073983 6825.738584 6329.744933 3387.207967 8368.972994 19361.89909 17958.53426 10483.58144 15838.26944 23982.24477 16883.47657 26370.31948 8168.165709 8333.607195 4859.855652 7419.66893 33894.33055 11346.25868 10690.78144 5828.397889 7984.866484 4180.290169 6001.872856 6435.515567 3133.77525 8273.859608 8269.536018 25483.44342 27504.79495 11243.64752 17244.87923 5206.939009 Glycyl-Phenylalanine 181004.2197 214327.802 78521.88285 124376.4225 62605.72582 77170.13818 186518.917 251486.532 330461.7612 39885.40242 63847.87686 40248.13914 34547.77614 20667.28314 57467.07881 38830.02047 46497.54744 37325.29813 17529.17836 22176.18353 49053.13642 13206.19237 10818.62292 17259.78441 30659.08612 22668.6176 18828.6393 84361.41019 38801.54476 26542.75416 44979.92383 25915.71587 40557.07591 67685.22486 88056.77739 34958.68793 60287.91936 37188.20117 41558.80808 33796.96912 20344.58795 13408.94114 17788.84771 22508.36833 14020.57038 27710.31558 90328.91525 52918.73975 100544.3339 143320.826 20438.50536 69463.80684 22959.34859 57481.52236 3-Hydroxy-4-methoxyphenylacetic acid 38095.47361 31623.46311 17887.39991 52090.77663 19387.3579 11074.9598 19356.49768 24944.19679 7039.779469 15196.7138 3056.827511 32261.84641 21495.89607 57551.05119 16294.29202 7449.188995 4432.137723 47934.75811 42077.04615 19497.01573 7991.862673 47237.84761 2453.676131 2309.978525 54556.27984 41663.38965 2883.310679 2205.121911 20238.6106 12139.34335 17194.78902 5658.211529 4145.19575 18008.53153 4145.921717 55742.44455 142604.1611 25539.93358 11630.63714 2584.749698 22018.52998 11614.47891 2151.263772 16716.76682 17397.26557 1470.612062 4076.592537 26204.19129 23068.1592 43993.72634 27130.67281 9591.400837 6242.468275 6483.901103 Isoleucyl-Leucine 296204.6502 438748.1435 197302.9485 341441.0118 120247.7683 209343.4239 371269.1292 414095.0822 405145.0668 19016.65941 16695.83931 16752.34366 17708.54846 8424.910973 15918.35699 16713.08327 16285.54171 12999.16452 50457.95805 41410.06586 154490.1036 47831.90637 65393.5564 42491.79194 67729.33044 47130.63151 37475.33507 13966.83094 14233.44871 10681.26614 15844.87231 11562.09835 11058.30899 15524.57843 19767.16943 10654.71114 109864.834 121888.2256 136820.5398 97857.07457 53740.19268 46916.6316 57856.85907 42667.51466 49178.38519 37771.96994 90808.58047 67760.6182 212311.9731 260225.2149 8414.35033 68986.01093 14275.81408 64630.73559 Dihydroartemisinin (DHA) 29417.36521 21141.75325 30314.87604 30077.24879 25870.85802 30582.26986 27193.91362 32113.97195 30146.67789 7793.068112 6271.886869 6022.183437 7515.735075 6976.279982 6165.486635 9287.77466 6184.777715 10706.25832 32975.50001 41998.73956 109727.8023 53585.97692 30924.15771 30408.48466 36863.39455 23807.89447 25463.89873 4093.256295 6727.679903 7773.598886 7491.37907 5933.634184 7532.725876 6969.731237 7867.027128 8827.332466 36545.35186 28675.26328 26410.0908 38246.71925 30531.52947 37759.14176 33496.59444 23548.2672 25192.08104 27196.15046 21411.01251 24681.79376 24840.14345 21142.5112 6493.536352 23178.53615 7612.482794 24463.57404 9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic acid 61031.36576 49682.76264 54382.04021 51318.86253 64713.25621 50617.13519 47107.00718 40154.77851 40195.90204 23758.63037 29498.52083 15941.92915 25319.67965 16859.96282 38537.00944 17343.36711 6766.609736 13337.65198 70022.5453 57673.10162 56434.80216 55898.6839 71757.01244 67282.61504 52277.69935 58518.57612 56413.93067 5265.641871 15391.33749 19226.49988 13274.70305 19707.93839 19053.30453 15480.0301 12066.55138 14785.19304 41469.01046 56581.94704 47094.60864 51662.57542 57445.1841 69220.70751 60691.2371 59611.79531 92161.74083 37462.11556 34307.54331 37052.64405 40809.58606 29890.14261 14646.77132 42384.56784 14770.96199 51959.069 ETHOXYQUIN 5512.668502 3930.821381 13540.19569 7168.284011 6706.811782 6711.14684 8847.537637 10764.14513 10255.81377 249.3010859 1729.991638 256.8728368 4.07813e-08 1923.679127 1104.575767 2055.353378 239.2694139 1253.034447 11617.48187 14878.63072 13418.75224 13793.17777 55709.15652 19631.53345 16932.81821 8966.011835 20480.28995 1863.089146 47.68293981 3681.556179 4.07813e-08 221.7505335 4.07813e-08 4.07813e-08 4.07813e-08 645.0273494 4147.758697 3201.796205 4744.855549 4908.677381 9031.034305 3802.945217 13293.35529 7615.661924 2700.02786 3394.859179 2170.489091 5186.089906 7767.541571 3363.11189 45.18850537 9643.590135 1127.346859 4948.095512 7,9-Illudadiene-3,14-diol 19400.76149 38434.13747 16690.86667 17805.82519 17614.50076 35594.45532 33854.44807 66987.39419 57984.964 91506.90962 95954.64081 94936.6893 92955.58446 175082.032 99759.42721 162797.0098 290286.3398 424840.9219 15100.36446 17411.88462 31165.73917 34232.65782 27429.83263 22275.4385 20847.10279 17288.47823 17428.69774 412411.8042 325023.4955 266073.8326 436510.4567 669625.1627 248582.9794 343030.8659 221615.7449 309704.3825 63066.74594 21694.10873 23435.63563 24609.99542 25951.17756 21859.1627 20504.19544 15553.31138 15266.84523 15845.70898 48607.16428 36657.32109 103264.8493 78561.9878 582827.2079 81496.67412 165205.9295 58230.35803 Edetic Acid 4.07813e-08 10041.75252 289.6031294 2039.404884 3226.56063 307.708334 1554.130471 1836.189073 626.7529987 19961.39992 16036.8022 30248.09889 20118.2092 35418.70195 25625.37147 17044.08388 6789.516463 15116.11551 4.07813e-08 7388999.418 4.07813e-08 141.5765554 1172.402351 4.07813e-08 585.103982 6441.534739 10257.81838 28706.97232 16960.42742 22752.45676 15001.653 32341.01672 30098.5318 20756.27125 18171.95803 18867.41692 3353.697927 360.4293975 404.3305234 650.1995111 362.672439 549.9810101 648.6358561 8118.136239 3040.881026 1736.399945 4.07813e-08 3978.166856 7734.132876 8459.520646 17474.86752 3667.44341 16392.63511 5719.021475 (S)-N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine 382442.5128 307861.2225 296987.8744 229503.5188 273137.7671 295527.95 278955.5671 364076.95 306596.9276 179898.3863 146467.5863 117865.8964 194065.198 103824.0107 117444.2912 81579.434 91244.16044 167280.0483 424834.5899 367658.6326 349586.9198 342190.8807 385031.7403 376020.8959 368625.6143 469994.1077 507950.568 146166.5544 148820.6306 110040.1141 120525.6304 178240.7453 152303.1186 171686.0146 82934.3604 92377.22334 286989.4933 344713.5349 360939.2959 373936.6099 369672.8006 380271.2633 336659.8293 454332.333 522547.7414 284328.1373 240381.7724 307793.2094 328590.6597 292161.6059 203954.8282 333231.8301 147166.6478 322513.0087 Kyotorphin 20515.44229 110838.9093 8674.759124 18549.43978 10468.05215 23274.95492 73946.4282 52957.36772 25767.79783 15907.15084 10269.35618 7337.783412 16708.70343 5349.96447 10766.11612 2024.767484 7420.384072 17549.3549 7339.473001 6208.843288 17749.27032 6142.162201 6194.524951 7002.41966 5407.762332 6408.932264 5660.463085 10469.74124 10205.20963 6591.200834 9515.904118 12297.62599 9844.117832 12666.75097 4698.580536 4611.441382 6370.157583 7064.613906 24967.62916 7636.690024 8931.181684 5494.182684 6814.180004 4329.753458 7331.375377 5999.790881 5693.749123 9407.0794 12722.65028 40563.66252 14551.17751 12841.5598 8009.883069 8025.711623 17-hydroxy-linolenic acid 35122.86819 41134.06919 59581.92504 52805.28781 83560.73351 53294.72423 29501.5796 30037.16233 44059.55348 112102.0972 90461.53182 49573.63048 92352.18989 46415.39917 61645.27814 146207.3236 49411.21926 39673.28104 54799.69027 53151.31372 31025.86141 36729.28526 25051.79424 44490.27951 30128.38337 88084.79742 39332.9867 29379.801 42954.80605 67477.8127 49377.32068 37962.27322 66087.01615 40636.93085 82428.3738 49793.45198 30093.62557 29417.15958 32158.9028 16729.71895 31432.90687 25180.42316 37212.09796 76904.43384 72041.32793 40998.6436 45707.74207 30564.34924 19609.01862 21254.15994 28758.88473 39076.77221 77897.62501 32302.93776 p-Aminobenzoic acid 58109.04403 54991.57398 72352.56243 71305.15522 71428.52949 53645.80871 53061.42415 56871.41763 63472.08068 9017.829547 8426.317402 8212.057458 8123.558947 8906.061298 7351.517394 10277.35512 9072.73908 10064.75273 34210.18837 32853.61628 28489.25446 26748.53933 32785.17055 37143.58529 33447.30249 38282.68162 30166.21538 8140.003364 9313.519918 10221.08852 9240.124682 9190.488541 9181.863859 8140.243307 10072.19004 9837.98034 31934.55146 41798.58506 40031.90965 29600.42351 23556.60713 26681.0579 43183.68941 44053.2222 23635.44391 47689.91908 41535.97461 48135.95336 41094.47019 43437.94915 7977.824867 51359.30828 10318.10264 61088.37152 Isoglobotriaose 4.07813e-08 5010.253507 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 218.1138656 4.07813e-08 173049.8998 111566.2362 46049.556 184882.5878 29770.55326 52910.48817 41139.5667 56948.41049 84909.88459 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66373.71955 58739.55986 42872.4244 37247.47557 49275.10064 31186.33957 51776.32569 29472.62786 45517.51696 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 222.097769 4875.022171 45125.22999 4.07813e-08 59665.06188 4.07813e-08 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol 54721.64579 28442.37728 37759.90593 23501.73466 23144.95502 49802.87183 56247.1359 27519.7864 25620.9431 16161.79042 13564.89289 10011.32727 15100.40319 11784.65924 15770.58451 10746.30117 11135.8235 13500.01376 50137.37062 42180.56247 46378.94889 54843.9801 53829.85429 59461.21716 51720.18102 63255.14338 67643.07259 19455.31293 24981.25796 14246.29626 29834.93257 24263.24274 19059.24579 33996.00724 17847.16393 11750.85505 71788.16296 51777.38495 59240.04368 45087.33505 56906.64719 50887.72191 57190.95951 64889.11598 51487.19409 41414.83656 33932.35044 56824.66694 59656.0504 48892.23362 30230.69594 44777.20429 30532.21205 53893.59461 Aspartyl-Proline 26389.86325 34938.40851 20973.92803 20735.24468 22934.54191 19974.44081 30325.30275 36056.74802 46276.98347 57698.34939 72079.87469 77729.59855 63544.30721 43911.9552 51638.36093 73816.24528 27538.48682 62226.60001 13944.67994 14409.94595 14077.82056 10307.58499 12374.06779 11679.69626 15686.23405 14576.14045 13748.78001 79469.65211 60268.92155 46695.67399 79093.94698 35047.98704 45942.77639 83437.15019 60320.48724 51662.22049 12501.8328 12776.30078 11532.07144 14145.76379 10668.2601 17011.63438 12344.23737 15832.37791 11049.66893 25600.66493 30733.71695 21855.95875 26050.80371 32257.87487 63277.94417 26526.33087 151119.5663 21369.66794 Isoleucyl-Histidine 149071.9874 259038.7199 80518.04809 134071.6695 47177.44518 123057.759 151843.2132 165331.6895 180089.0276 49617.87988 55800.41034 52911.36757 60028.42993 44127.98477 52052.83055 42005.94127 40847.70922 34392.45457 25126.77313 28797.077 52545.57428 16769.45125 18527.47362 22960.24815 26060.67069 38881.45519 31271.84492 37714.17099 36634.89974 30378.91995 54554.84036 40226.90106 44453.88541 37697.50924 44515.23611 33951.96118 43439.02787 52606.39461 53069.78413 47997.84043 17643.63306 19554.45896 17974.12939 41108.39544 25021.65242 38371.74237 100642.3584 40596.70126 110927.6004 282338.014 33342.77433 39606.01486 112502.3936 54795.09244 Lotaustralin 1427.888458 4615.486521 2924.198967 3445.44524 4915.568389 2753.694103 4812.747552 1671.268132 239.3604505 24560.70787 40025.08859 12969.83644 31415.9405 8051.854526 9243.489124 2141.04353 5562.681285 6521.664755 2876.214269 5634.765814 1535.320514 3030.401105 7708.315839 9477.036965 5761.618415 3385.973837 7310.880787 3565.548293 14969.6176 25277.80961 15801.40474 24236.3042 8417.400074 96311.93548 2609.37054 15935.4976 3427.681048 3911.783707 1234.66947 3499.656538 3100.541568 5589.024098 9524.115306 4243.520997 5019.876333 7171.033035 7745.021016 1994.388891 1626.333717 4731.878712 21857.76572 2408.20393 26165.33576 8775.937423 4-Dimethylamino-L-phenylalanine 8242.427345 8122.584798 9502.808201 8918.486738 11522.26361 9040.099788 9548.607255 7803.355304 8242.017855 3543.849044 2805.129637 3263.650862 3444.426004 2446.372379 3736.878668 2168.22283 948.0853838 2042.791277 17727.81889 15349.31684 16309.16751 13656.90504 17015.8923 15381.7801 15074.00459 21815.6266 19044.61608 3729.504646 3937.564396 3201.252738 3446.749668 4483.939208 4698.005184 6703.810383 1934.342539 2878.888301 11195.59002 14351.21672 13537.74933 15358.23683 13899.98889 16943.44764 14687.27375 20977.5078 22523.79448 71368.90926 26396.59633 11981.74668 12045.66817 13395.52394 4718.181913 11486.2166 4239.535751 13039.09978 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 2638.183969 26893.77305 6594.393801 14070.8352 3849.398824 2545.751382 18281.61926 8293.979538 5976.997265 148722.8894 137496.9218 187477.5378 139767.4243 152500.23 253233.562 125461.8176 47566.77881 100525.4217 1850.43491 1815.387531 2418.411408 1611.665806 1793.749415 1479.740996 1778.15102 4847.763147 2017.116394 255096.3989 163188.9254 159050.6188 153655.7534 325737.8713 246821.9947 230368.477 113183.1134 130032.717 11469.47391 2862.876792 3484.793805 1617.745855 1799.877605 1841.506173 1105.147407 4491.374149 4767.275148 913.4209022 3024.519395 6804.723371 20146.17991 49980.61536 218528.1374 13537.64478 228247.6278 18325.69543 Fusarochromanone 8938.208273 9960.513025 17988.40217 28170.66006 73582.68933 24119.09029 23936.87535 25591.41488 3841.652972 1584.95334 2270.973387 3633.248762 1083.257327 2292.821067 1522.174645 631.7358826 369.7790739 1048.577003 29030.44961 20082.83428 20391.5775 12892.44516 16339.81096 15271.54251 20279.70988 16594.73792 32646.23174 3087.06797 561.0620975 493.0374858 427.923606 1281.429044 1380.514686 2541.909136 1097.164323 658.6416191 27042.61246 25426.00005 36162.87713 30373.66575 24545.97118 30918.88335 21797.7071 38237.52384 17330.1286 40519.44875 13301.54262 26290.41861 30124.02981 28129.07647 1428.837846 41225.31384 3862.395285 91124.91228 3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal 40237.15727 29130.78647 37249.15927 32943.86724 22479.57345 24835.21149 19308.17191 29873.43119 29525.9859 32463.83573 32611.04397 58781.27508 33587.35201 51167.59604 17483.19829 27213.26565 69113.41288 65469.50142 26962.29408 23093.96192 24832.6278 28316.48704 27894.68336 20683.05437 19533.8968 20999.11542 25041.84806 38123.84088 55502.2259 114647.2634 61521.19383 86311.53724 69803.19379 70304.57005 80987.45582 82198.37203 56802.9453 29028.67116 29652.04916 28420.4577 24176.01891 23597.40506 21167.3444 20009.26182 27749.87084 11380.57634 10040.64962 24358.13077 34650.07172 33413.16719 68873.58308 36785.24091 65428.39513 36936.10032 Leucyl-Phenylalanine 229914.5096 277169.0028 141476.0636 253235.1323 108731.9701 108461.9651 217915.4511 265029.8713 193249.5806 98829.95796 117647.5283 120497.9567 92664.28208 85678.06382 126000.6147 107634.9618 176470.2161 104193.1433 50339.27331 44365.70868 150122.3926 75136.77878 56414.64362 44699.19787 75025.88102 105118.3629 68559.87974 77972.67939 112412.455 113905.1208 121947.6844 164593.8165 116073.7535 122952.7153 165235.9109 77546.05703 135843.191 95461.89487 112743.2789 101704.5538 54147.24828 45708.15329 42223.62007 77850.67533 78020.19045 42957.43781 77812.58196 53811.69749 127557.428 426320.2939 94709.69329 55192.57647 120832.5882 46288.33717 O-(13-carboxytridecanoyl)carnitine 2602.724109 4593.825933 2531.041411 6468.87593 5253.947563 4243.885127 2059.002511 5862.36275 1978.150061 142233.2947 242256.3276 119849.9087 133400.6034 663624.1595 97418.54964 259188.3187 293119.9162 140932.733 5291.235537 3180.990514 1479.259129 6858.179782 6971.037116 3899.212995 2119.363418 3048.710494 5359.276465 120859.4374 150767.2028 173596.8259 141017.1635 539188.1291 85545.25463 216369.5399 210739.4724 151818.3013 1782.212032 2532.731998 1508.151721 3548.626206 8385.718799 4398.084983 2982.309213 3146.377727 5844.967118 3630.160164 9712.611287 2671.867174 7087.4236 15249.37002 125162.2097 6948.780172 147067.7464 8297.938117 3alpha,12beta-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 128651.9593 250692.0798 68825.29684 32297.02987 47675.1011 98602.94172 49584.96942 70499.55844 108783.5421 43773.22684 6858.565979 116137.8805 45403.67034 176696.35 223678.8818 50211.71047 90966.46578 199041.1374 44174.03783 33937.53245 54778.10605 40007.29207 35314.76755 30584.61057 27468.9658 24703.64099 29661.13136 32952.02705 63008.66139 10535.70949 261344.5606 59103.50295 17578.40551 192503.8511 130011.7614 87292.22771 30803.96895 29901.18872 42073.93008 37547.96142 29732.11127 31604.88977 29279.08423 22916.1227 30685.05645 52885.3973 596203.1628 119506.7079 245491.8728 153738.5081 136265.5757 150464.5519 33365.72541 134808.5571 Threoninyl-Methionine 41707.13233 57819.68126 22442.8969 42536.24236 21399.10363 21737.91491 48913.53461 55256.48871 40888.87789 3016.99973 4109.541132 6889.745354 3944.040223 2720.294287 7680.198945 5164.836898 10011.60993 4329.089856 6524.576421 6642.20389 16847.80627 6477.591937 7992.543255 5867.884851 6512.821486 7877.7722 9257.941933 6011.783116 3355.507018 2808.452336 4660.183844 5718.288201 3676.374319 2579.946183 8587.288808 3596.246187 14440.50504 14165.21472 16740.29995 16691.67341 7556.458898 5539.482881 5567.359659 6839.335148 5417.753461 3767.031415 13911.28753 7826.265259 22738.11391 42381.33214 2042.886256 7430.265486 3618.748138 7048.637558 Vulgarone A 8493.993823 4505.718997 9211.897274 6116.891475 5773.394482 10150.706 6516.466824 7639.438879 6472.0126 1448.78729 1596.209642 1532.927755 1929.585819 1884.537017 1647.809304 1963.13572 1838.102795 1580.578381 27628.52529 17161.39402 19972.65232 31395.35134 36653.82383 36171.56924 20019.8699 39654.74436 28441.18886 2538.657039 2256.84732 1729.974547 2759.074739 2648.142295 2168.46424 1927.978068 2878.602139 2202.096133 15100.98669 19556.33438 24911.60941 20561.40004 36905.7628 21767.69235 30309.821 46925.819 52329.57648 20489.46898 13851.23646 13634.78267 15120.92176 11011.5641 2048.30519 9938.584277 2696.932738 11567.58505 9,12,15-Octadecatrien-1-ol 853.7968803 1501.964227 1088.446234 869.4910358 1167.230385 1526.073538 1211.540174 432.2964344 1503.544815 49292.89487 46992.49446 12759.29105 30200.66888 18506.89576 2857.601734 75330.24945 17240.18053 9984.743658 4460.406216 8991.880276 8130.935224 1034.105485 640.0212986 1763.560662 425.7773984 5566.935998 655.4396758 4265.190025 24293.79584 42216.08237 20034.33236 26578.48017 23748.2372 1493.389451 25536.14905 6965.417977 1144.358797 1227.947343 1284.233066 1513.365684 378.2662361 674.9316811 1491.356597 4527.933136 1084.684055 1935.337854 18162.75596 1615.999444 458.0786182 828.6831335 2800.810979 1791.694583 52152.73296 1251.838757 Salsoline-1-carboxylate 5910.328974 8826.55771 4666.738044 9533.259042 6479.211374 13138.30224 11743.40813 26268.07327 14890.75386 726.2871819 290.5463315 4943.477265 736.1868655 1769.831557 827.7640444 9194.820709 3144.052522 128.3063406 2054.268032 1811.271725 4042.016033 1559.470657 2583.133372 2272.493717 2516.120024 3359.240876 2746.017577 73096.43512 7594.82418 4803.972859 19395.6568 1647.56672 4218.444865 7738.737342 33225.19624 17878.42051 4794.984785 2150.277325 2979.968689 3575.380367 2870.878353 2433.944262 2665.959112 2477.249578 3285.228534 4539.300241 3074.186449 6414.976886 6950.681308 9930.737101 1020.718962 7237.211935 3298.325349 7774.607838 Alanyl-Isoleucine 218104.4232 345627.6506 116997.1269 230178.4205 79794.66516 107097.1261 281940.6209 262552.4375 279873.4865 24933.14682 30737.56698 31028.88579 28186.47701 21761.71542 34933.23355 26731.7003 31609.79054 19605.45253 19821.71158 29718.78599 84850.60255 23380.83585 29841.94819 19227.89171 41205.73217 31203.41425 30687.68673 27781.06882 22323.63196 18744.70303 27582.4302 19402.02729 27898.02857 26645.69424 40469.9791 22320.09438 79251.01396 78895.46779 96697.22908 57318.42518 27637.46189 20021.14317 22831.93658 24870.85925 24752.20704 18180.75676 61500.23084 47385.65675 163615.0776 233554.6655 17206.79776 58004.03358 30497.00101 52621.67856 Indole 10166.78175 9239.879033 9649.351737 9205.52427 9155.143377 7950.373965 8666.764381 8273.484909 9370.979389 6247.795836 5770.527216 6302.46778 6447.668608 6935.397791 5939.3486 8200.658555 5829.576236 6161.093048 5406.1111 6158.82773 5877.149934 6755.276079 6310.41993 6461.607122 6504.234686 8373.799625 6576.534965 6505.440293 6805.278417 7490.05427 7815.970913 5983.643431 6605.383134 5506.327029 7030.625782 7235.216828 8766.014404 6279.239485 6088.464241 6326.420607 6042.395871 6182.233604 6992.639486 8306.775668 7319.360961 7867.697939 7323.757243 6634.584175 7224.700293 7537.5776 5699.638676 6871.889459 7548.070346 8575.21443 N-(1-Deoxy-1-fructosyl)tryptophan 24160.43258 16037.45783 22983.51737 20966.02508 26816.29084 22779.47707 20238.45213 19323.63548 15319.29066 793.117607 898.8237202 771.7373522 573.9274087 414.4546764 2291.884784 623.3977575 118.924616 694.4377111 31225.35524 30474.83349 29826.09461 25739.73096 28443.46256 29923.86679 28283.57064 34296.03296 36046.52807 266.9160464 607.5335704 690.5441043 361.3771221 1158.551788 408.9385612 596.0419788 479.4500789 643.012059 20693.27271 27281.16786 22699.94592 24781.80327 28923.5229 31966.18837 25452.0303 33703.67658 39840.85296 23502.0997 23033.39515 20819.58894 18304.63993 17615.91789 677.6284606 19375.35781 243.7135344 24742.07231 INDOLE-3-CARBINOL 309747.6626 268598.333 224714.1749 206974.0131 327340.4581 222633.2187 248133.6401 165950.2257 191508.2592 1231.144911 2085.507323 1984.188532 2554.245315 2141.038668 2338.255731 1782.915153 1132.365816 1663.336412 219965.8567 231454.2036 271103.7735 191784.7673 429217.4717 269707.6016 142053.081 129143.9226 334381.3566 1254.827482 1437.800799 2686.12477 1605.824533 2675.810102 2501.522727 1780.543962 2703.269056 2332.088495 45750.51538 219755.2386 216183.0701 298537.997 259718.7621 157172.8899 369808.5357 127700.3465 64122.64666 109889.4558 136149.54 120343.8428 159852.3191 142526.2133 1261.888939 255039.9574 4256.283576 196665.9429 3,4,5-trihydroxy-6-[1-(4-methoxyphenyl)-3-phenylpropoxy]oxane-2-carboxylic acid 194.5620054 4.07813e-08 4.07813e-08 399.2520288 335.9677696 332.0615898 556.6740651 264.2708078 215.7539252 4.07813e-08 225.8465534 1059.097128 616.4858806 740.0201957 4.07813e-08 223.596462 4.07813e-08 543.9169923 779.8775741 324.6784629 255.9016031 397.4400799 4.07813e-08 408.4804812 1023.369441 137.2467931 165.1177703 4.07813e-08 4.07813e-08 808.5955796 4.07813e-08 682.3838582 655.5241309 377.1687324 257.633968 790.2342106 282.916195 377.6811744 291.1933164 642.3682431 4.07813e-08 168.8784276 4.07813e-08 512.7769092 570.4693334 152.3868643 475.3853188 149.5442726 189.6239 602.9828613 280085.2209 4.07813e-08 61659.84719 129.1903202 O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine 7289.742019 33416.4687 3490.116177 11422.90637 8295.003447 10317.68312 35948.13244 48782.30926 24730.72414 119795.8025 240795.3456 243423.3255 108859.95 474475.9655 139374.2634 214659.2348 386162.7284 267895.4246 8961.413242 10724.78781 5805.214659 7283.797518 7150.82646 7124.372152 5460.143329 39697.58868 12287.36583 79370.76274 194580.0723 369978.7065 76325.6965 325864.6923 110605.8831 85148.33365 239863.7341 216051.9905 17460.92455 5934.123487 3475.824832 3326.43994 5958.381978 2580.807928 4348.011575 27168.44127 20864.51874 10230.92394 49954.22215 17762.00852 10832.4908 14680.13236 115142.0914 13115.92149 273979.9687 33706.38737 (7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid 38575.7753 37602.52581 47077.62354 25797.91176 25766.26791 40042.55901 25881.75454 34075.13726 31672.36411 38975.85904 13685.02461 3996.785209 32149.00352 214.3874869 434.7376627 10420.63073 4.07813e-08 1147.736853 41448.39783 53822.02384 49645.38446 44634.91044 52638.95302 52880.91606 40438.08418 41069.65271 27697.15118 9306.040411 23987.66368 19360.62353 17684.17106 11642.51504 24209.97513 8564.613895 6177.881614 9027.493733 44858.84913 55252.1045 54043.64923 52485.21266 70803.25809 42296.00477 52440.81937 51373.71411 66572.49899 40782.7581 24092.27385 36546.41143 33066.82571 35724.41796 7840.798679 46794.67554 25804.02362 26397.64726 5-Hydroxy-N-formylkynurenine 6080.664077 6699.731233 11810.13291 7410.632243 14133.47765 30968.74529 16726.02549 9235.766501 15853.56515 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17133.13879 22400.17664 23261.1737 13669.98974 50942.87391 31736.39792 17230.46123 12436.23331 44212.77878 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79.48179874 4.07813e-08 4.07813e-08 4.07813e-08 10280.77938 15136.16178 16541.57641 26083.32134 15626.19814 40757.54639 34986.59076 16929.19617 18006.76629 56278.44415 24086.56933 33241.56401 17616.97078 13366.50705 149.6117127 18324.46072 4.07813e-08 24055.82611 PGE1 alcohol 153522.3114 147119.5156 152346.1617 149921.025 178720.9144 143320.1897 131453.7872 130474.3161 144262.031 110816.1178 99573.87343 86392.40645 105226.1267 98151.50727 95184.78225 117863.5288 100557.0814 107398.7424 104933.5481 113701.2198 101882.6723 105207.0316 104601.5034 110692.6306 114986.043 152808.9661 126672.9395 87271.46733 104541.8025 112311.0471 115260.2276 103246.6367 102223.3954 95364.86409 108703.1677 111183.1567 118511.8708 108929.874 108916.8669 98448.17008 102014.8379 115732.7951 117139.2686 142468.0565 165883.0615 123963.1465 112815.1973 109409.234 113529.5178 116510.5706 85743.66197 111431.9799 124381.7584 132584.5857 ALANYL-dl-LEUCINE 307834.2405 499934.0329 182392.1283 315556.3138 132347.3882 177371.6929 357514.103 385950.9633 393277.464 84860.81628 97406.90623 86885.36104 86394.28956 60495.20081 112441.1737 114855.1381 110371.303 76487.23012 42217.77715 48330.40542 157668.4267 49814.73065 51001.17764 46475.56997 65859.04664 87679.87411 73894.72713 69670.63801 90486.1894 90063.88317 106830.8518 120150.1419 97000.3838 123272.719 112829.5663 99016.03008 130652.3146 117339.6205 148496.2298 111919.8464 45652.77104 38922.1955 44081.82242 74447.38083 44202.60176 48930.3719 109290.1956 87654.14139 234589.404 620754.0551 72387.58476 82806.77622 83920.68822 86708.67877 5-(3',5')-Dihydroxyphenyl-gamma-valerolactone 14917.48407 11423.22657 13871.74963 14690.62869 21838.07187 7900.305081 8866.093002 12607.21999 8252.19025 6419.99465 3803.445636 9248.005302 6909.8926 9840.444546 4670.899184 4464.070124 2910.528949 8349.475825 14509.61699 19782.24668 9071.880961 17259.66121 8585.406078 20199.68747 13322.06276 28444.96503 29652.59609 3064.436437 6742.621558 9303.047671 5267.537704 4620.990699 4875.310078 7208.261784 3860.766662 16518.97531 13435.70129 13981.50781 8566.176335 11347.91658 20741.4738 10739.53945 20802.84177 30089.38039 23587.60358 8066.041363 6741.512481 8319.841136 13295.80237 7796.722598 8725.733952 8850.015256 4773.549462 11707.8873 15-methyl-15S-PGE2 44834.37073 5516.839024 23984.29986 24788.19647 31074.86771 29593.51579 10850.88953 20562.44756 27511.40615 515.4454682 1548.007359 333.2074264 1229.603033 1015.485724 1103.023023 87.29239869 1100.265609 1190.137676 49829.89229 15675.73936 22169.88037 36982.20101 38302.01786 45069.32414 16951.43001 16437.99398 28438.95753 794.4023108 638.9351662 1447.955281 1589.576072 4316.696094 984.660867 1060.8004 154.285087 309.8494369 67005.83564 13632.14068 30907.72625 16070.39324 38881.4287 29922.63634 48492.80357 16823.90902 15402.14899 37187.73118 54127.09193 19940.97492 10292.22648 13683.00067 3104.848462 18164.11465 4019.111559 36298.65389 MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) 21712.44292 4586.648005 3642.983252 8700.388489 15652.0904 7292.408077 5758.049411 5954.75941 10650.84261 303.0090233 210.3917135 94.41828698 112.2203019 150.5250743 440.3581933 4.07813e-08 7.043678345 619.8077445 21877.38483 22346.67276 4994.874384 18234.79072 13332.03452 10105.52043 7867.849911 12591.00209 14075.48166 448.3088612 547.1294078 188.147522 179.2153877 668.0962986 543.9523156 789.1830846 467.0075094 72.13480723 28628.77231 9792.057258 7358.166398 10406.87799 20801.35975 10438.88638 11270.63241 11606.97107 16818.35812 10021.69682 15105.04303 7493.167269 8782.536964 5578.189682 1252.772309 9645.495385 47.67271621 15771.91436 Choline 293947.2458 288471.9794 235892.6937 315836.5815 219749.0134 177330.5652 190077.5583 272402.3547 293749.2627 308166.5386 855284.9623 635562.7673 360686.1209 203826.7382 230942.514 300603.9426 291041.2215 379397.4329 127066.9196 190334.4152 183682.6876 98396.51046 104898.7765 196172.2896 328545.2057 332010.2661 234612.6017 740810.1344 432338.0293 392047.8043 921061.2569 381158.1148 412765.2685 273638.4429 739663.7003 294095.3907 504104.2292 118240.5167 143354.8245 249561.6746 124112.8163 364010.3602 162008.7842 378597.4237 145555.1917 541010.0947 252056.1141 231477.6544 198296.3896 249392.8416 338663.7917 205056.7364 913262.1742 340453.6662 Glutaminylhydroxyproline 158592.2676 159486.4086 183912.6482 209826.3822 229280.3594 137499.4588 193575.3114 84907.62678 108182.1872 195483.0019 168053.556 242209.3009 195263.8639 227815.2348 139583.9255 151179.0972 104437.9577 106648.3566 138695.5236 135791.5784 135728.1047 160666.8486 178296.6905 156652.8758 149333.3776 166709.1676 170363.8254 194695.0885 182702.4939 195634.8115 126812.437 214113.4616 276412.2445 199861.4509 152712.7757 157684.2836 124646.1713 151378.5135 161070.8299 155654.1365 153254.0737 161984.1514 128116.4418 160522.5141 136203.4585 69273.66603 67981.14386 132949.4954 122185.9574 139000.5914 188793.3082 119747.1576 144928.0672 114674.4431 Voglibose 61682.33517 84547.18798 73558.39569 103592.475 110525.1824 77241.86972 96621.61793 141084.634 117627.0277 6300.436036 2157.86888 7345.330649 6162.257176 5220.413382 6553.825228 5957.939276 3898.011005 6077.480869 58843.8671 18416.93995 34208.3937 11964.70105 19045.45331 19450.77581 48127.83912 13333.29348 47790.16898 16463.05227 12084.74358 13723.28379 20979.0083 15667.72589 10021.82251 10471.99219 15365.65184 13184.71124 180837.9853 56753.7218 66515.77342 88107.63531 79016.42841 44759.59848 99842.16471 60134.34103 21456.10636 154942.5408 106751.5286 168347.1286 195576.0357 212683.0067 8646.241504 255760.6818 10403.74365 238737.9399 Benzaldehyde 18344.83732 18954.6631 11858.47838 13402.63668 11131.60113 10766.44436 15915.68969 24845.04581 31328.19722 12676.64031 15559.96677 18196.73778 13546.88004 12080.20409 13323.75466 13602.93036 14875.17616 22497.17052 7123.213782 7039.348423 12857.64159 5507.947572 6948.93744 7411.241511 11416.72624 8429.091285 8023.565603 31756.53318 15755.81381 15645.23953 25795.43171 13940.55393 17868.01106 15513.7141 20108.19059 14021.02386 14768.5537 8004.837951 8018.629968 9082.818131 7214.841717 6736.528247 9072.770153 9734.735635 6850.522878 11040.85379 12833.13859 13367.0444 13536.09643 16981.48526 11548.87017 14829.70774 31244.99836 12441.37341 N-Benzoylaspartic acid 4.07813e-08 4.07813e-08 64.3433041 4.07813e-08 271.3777533 55.89696486 4.07813e-08 4.07813e-08 417.7954208 21389.07255 99345.74251 67976.93126 32085.80567 60552.27668 15155.68621 30344.30043 17670.96391 50852.25025 4.07813e-08 125.0017774 4.07813e-08 81.05561499 4.07813e-08 4.07813e-08 4.07813e-08 133.833306 4.07813e-08 534.0431749 29703.13218 69624.36965 9319.087066 54528.17084 11501.26475 6185.231972 4292.922887 37074.0694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.45471059 4.07813e-08 4.07813e-08 162.0193943 513.0104694 95.50456916 4.07813e-08 4.07813e-08 23370.91226 4.07813e-08 38504.15228 4.07813e-08 Naringenin 4'-O-glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 369.7364088 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128898.1173 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 110836.1844 362898.2575 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 363220.2104 4.07813e-08 133635.2046 4.07813e-08 271848.1614 235060.1454 4.07813e-08 383494.6035 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9168.689322 4.07813e-08 Pseudoionone 22818.54424 7312.819903 16680.98264 10352.13335 30559.69311 31323.71693 43208.63296 13092.89988 24687.5179 2587.120132 2413.931537 1767.24868 2248.910657 2009.962937 2107.364074 3286.669306 2285.094643 3048.762641 4497.908963 3645.802372 4816.702217 11513.23844 6709.976927 6039.859351 6066.328712 4248.259574 3639.252421 2888.860802 2803.813741 2265.830748 2386.978158 2408.456056 2670.657707 2365.505815 2350.579385 2287.053514 20527.39658 10064.81373 14800.99227 6583.473247 8422.505708 7453.996309 7293.340784 6682.903724 3250.600044 5510.037962 9318.435789 17132.95592 24424.40519 10281.46869 15689.06073 14604.83243 27610.70156 40840.14903 N-lactoyl-Phenylalanine 2868.495054 1021.388757 1702.259339 2111.666767 3310.904005 2024.700639 1892.253968 1512.713304 1763.243896 2009.228189 3206.422899 2326.66023 2281.15071 829.5792866 1464.501435 4572.520296 3029.598437 1247.251017 4060.756894 2611.980238 2951.205166 3112.404484 3514.490558 3869.06622 3661.978397 3345.178295 3121.118806 18470.09509 2931.011335 2047.450922 7131.028923 1547.299858 16379.98676 1900.418723 7158.703472 1645.452947 3579.489761 2214.144287 2091.500973 2150.497948 3083.034885 3255.926578 2840.158434 2909.850562 3619.864355 3201.898782 2255.423678 2054.422968 1989.822331 2134.311414 3079.317105 2556.660477 5440.152333 3490.485315 Sulfoglycolithocholate(2-) 6014.203626 8286.275512 899.1410575 318.9601651 453.801354 2562.487203 2873.375838 1409.604103 7063.267932 19820.02977 108536.4535 87335.7136 17822.17021 216260.2602 99596.38452 213093.9797 3024299.296 43059.19164 690.1819313 340.9566361 636.6616604 1610.048786 998.2484891 29.99519422 1711.959839 15.20092348 667.3257801 1267166.425 32458.13333 50618.67044 49130.60354 158672.132 127367.5245 49553.87626 1390159.5 38098.53763 1508.110409 811.3288983 2580.542335 856.5763657 425.7858797 840.690755 8.019788302 126.8418571 186.7538824 1143.712671 14893.7259 4534.234191 19040.84979 1856.654606 123840.3047 6095.47654 29673.42868 2248.066539 9-tridecynoic acid 1729453.858 1726976.496 1712971.116 1704087.534 1660480.015 1470160.382 1509052.57 1552869.887 1602632.756 1118775.326 1056446.305 1065443.927 1081998.041 1174957.06 968945.4225 1352545.501 1093866.073 1233946.732 1116972.091 1161310.717 1136732.518 1152395.532 1073728.819 1094092.533 1227718.402 1352007.532 1259927.281 1070080.379 1201113.666 1289800.039 1319330.957 1153898.461 1165912.786 1023113.053 1329610.249 1291534.399 1359048.112 1160967.616 1240139.343 1091960.959 1061765.722 1107306.013 1152308.437 1395562.411 1230494.005 1425963.615 1318111.062 1261317.701 1354048.158 1278565.184 1008571.464 1322422.362 1327029.377 1542632.212 Succinylmonocholine 31907.50964 45563.98264 26622.01247 43388.06794 43589.86825 42189.48965 48585.03073 89971.86832 55109.17782 15723.14152 12343.71322 40577.23583 16630.13554 21351.59125 18631.72171 50440.09856 21112.08196 11489.2145 38808.08198 26822.31371 31847.34531 33644.41989 21244.87006 27642.76213 42789.85324 32263.58446 23574.5828 240932.5722 42345.97406 38643.23184 81689.52287 25188.41864 34893.44631 43309.11977 124140.7401 74514.12959 32701.52182 25606.87811 26586.47051 24931.59243 40748.54023 29578.77584 26687.96504 32303.601 30868.63861 31493.99793 21124.30373 30394.00224 47093.43576 40518.40309 21056.16821 55206.69157 30024.58996 35373.75814 Glutamyltyrosine 23308.89056 59586.03687 16707.09099 26165.73176 12892.63601 13378.07372 31814.62403 53149.68623 49707.36386 5573.928804 6508.266809 8662.634911 5625.304105 4801.082753 5411.70263 4818.375845 5113.695793 6044.960618 4178.562484 6145.282475 11378.74823 3279.673672 4589.574065 4885.894045 5428.282777 5211.077969 4473.975506 5245.401695 4827.418589 3312.552321 5362.766449 4300.978799 3377.10757 5368.197522 5084.403967 3552.162745 7908.57178 8552.212631 9442.965013 8544.049303 3922.601961 5529.754335 3456.654677 5138.782748 3252.466069 5130.401566 17458.40059 9087.150332 27436.22637 41304.41252 2885.762037 12553.10307 4720.798371 8936.721527 N-ACETYLPROLINE 37671.3042 93804.39891 33838.91564 35633.79809 32835.38235 32072.92783 38073.92417 36256.59667 60916.30391 78987.89969 75790.76801 63541.42579 81370.34321 47472.39882 53799.01275 44981.08185 35570.19258 58701.19675 33360.84406 36073.95301 44490.8169 29668.34538 26919.44843 29076.96683 31126.77321 43103.14432 39220.00212 73395.85708 73457.50709 62162.38638 65374.33477 83118.70976 71914.17439 107380.2618 46368.59117 57884.4269 93650.90322 33311.21591 57313.64864 38661.8019 28778.93518 34248.46499 30121.86947 43638.69816 51939.71315 38146.84781 33761.18636 39577.05821 44113.33242 98512.39797 91623.55738 49037.77923 80682.51699 37029.65125 2-Oxindole-3-acetate 32103.20971 30482.0483 17163.7248 25963.36662 23126.04811 11388.20889 17870.2207 22591.34727 11473.32021 5528.312446 4704.28782 3521.798057 5334.815983 4310.103731 3946.520471 3229.917715 5460.57637 4227.809005 38548.02319 11782.04481 17296.33535 37595.0039 21013.11562 604.8730236 32466.89358 29369.08389 3041.087367 4073.766646 5572.776563 6502.125688 5030.97821 8690.747321 4910.970791 5354.328818 3977.481554 3169.225736 58249.88127 16848.08259 23185.08573 3265.952235 33727.66411 54394.30597 1048.527759 21955.60623 50260.85154 1699.258469 2852.920855 10412.29579 41132.28897 25199.07223 6063.668132 11625.17278 5438.772996 11006.12176 ({2-methyl-3-[({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)methyl]oxiran-2-yl}methoxy)sulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20533.49658 3574.036024 27391.3537 18412.94959 33779.99012 20566.88429 12465.60175 396.1450956 42637.34523 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22506.59773 5362.933139 9112.552944 3550.922204 1866.859084 5560.41481 85.98903379 25575.77262 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22279.48583 4.07813e-08 5779.075411 4.07813e-08 1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- 7762.398206 7276.712036 6477.78259 7715.361081 8100.661244 7746.68469 8854.868117 7998.900718 7283.353344 9702.381927 10240.20062 6147.49597 10256.99676 6745.237391 17817.95305 7137.807177 6506.287387 7466.714678 8247.192085 8911.924579 7143.692144 8203.478275 9525.926557 10419.56791 8302.050485 8334.083255 8467.014027 5198.767528 6309.080944 7678.560758 5754.712536 7464.255165 7309.009148 7063.56439 6030.426577 6786.766061 8166.854662 7518.040774 6117.294294 6722.826716 8091.617144 9443.635845 9645.030383 7479.736526 7625.358825 9086.771008 7326.083565 8247.22338 7248.851614 8473.270949 8774.857417 8093.035864 7282.972511 9361.715625 Benzyl b-L-arabinopyranoside 11880.33619 11144.33579 16933.82313 21773.94499 15626.85893 17816.35854 13678.44539 14267.99029 14077.23647 4904.596212 2502.961224 5495.464556 4452.751209 3696.906522 2691.470901 1539.112497 4.07813e-08 4839.810539 17579.50264 16093.06175 16730.88229 20167.16332 18598.10101 16988.97012 13619.74939 13458.30226 14024.91149 4.07813e-08 4309.726103 8941.634186 4343.497515 2905.4999 2201.123797 5921.78958 98.4338265 12400.82489 15403.74286 16391.33651 18841.26145 16072.17154 20405.65796 17423.90062 17131.47698 13606.9999 13079.81766 19161.90159 15604.76578 26383.372 16683.59609 14898.2237 7058.040208 20685.53781 3907.087958 15905.54389 Sodium glycocholate 37516.02736 23369.14175 30314.02918 20453.36765 34401.50721 30235.81937 13033.0261 58341.67813 57020.26041 36856.02496 148295.6417 288015.715 30607.31727 588698.6302 422534.2378 662312.2464 947108.8041 151797.3578 13762.37932 10032.18524 10154.92647 10958.23386 11172.65797 13039.34637 8348.218346 7581.733657 12245.27441 698992.6805 229651.8726 56639.64625 148184.6118 166802.164 68847.53615 213648.1356 794405.0458 89079.52005 7788.494501 4601.581744 10879.52654 15751.64455 8693.116107 7004.736589 12141.15777 8387.283331 8659.169139 57150.0728 43080.11522 23541.71786 28034.76874 13967.86591 193008.826 28194.50552 55390.75961 14366.61052 (5alpha,10alpha)-3,7(11)-Eudesmadien-2-one 28354.0957 20843.49519 28446.55746 22111.88772 32346.0955 31556.97637 43224.06535 16109.49997 18443.60021 5993.018891 6561.20008 4397.48821 5888.619915 4305.358022 7074.062063 5373.763618 5454.66546 5382.144322 49822.36173 61879.85687 24075.56945 47911.25754 72310.31069 92157.92878 71651.70337 69684.23121 82665.14773 6015.484284 10040.79279 5638.672968 10957.24171 11924.66072 9235.243566 10809.35169 3885.380882 4755.035484 44856.83981 38053.36372 25905.52533 37600.65968 61840.67382 55424.30256 87692.07424 76120.92643 58778.61241 71911.97288 48309.35703 41057.39097 30529.7919 22203.35303 12390.75655 31370.10321 14266.78935 67091.62088 Cyrneine A 6699.973173 3242.996889 5433.910133 3332.718125 3104.959733 5965.698055 4604.145828 3931.822036 6707.490443 15873.27415 17667.05136 8427.912842 14308.35546 12337.06084 19328.8159 16081.14688 21895.06775 31250.57003 7000.519554 17408.48156 7574.464235 6424.545873 8121.546294 13854.9995 5739.620605 13303.73823 12541.33843 9698.241359 16710.7745 18478.15726 22159.09282 17594.55009 6640.247036 8538.707327 8500.936497 7367.425884 10635.83431 7298.752107 8620.411285 9240.627999 8895.680963 5096.735981 9769.295832 11689.71836 9594.14561 10614.81886 11036.88648 5610.529158 3964.238299 2847.367847 9785.982201 4665.760818 36914.17624 9330.750178 3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid 102322.0819 301043.3448 168382.5939 114238.334 134554.6214 162656.9812 266428.3066 187797.73 269229.0314 17698.21299 1725.839166 24842.63454 22515.18109 108900.7946 100339.2466 9352.262724 40869.07071 181348.8614 171504.0179 284859.4803 191314.2747 215827.8369 203530.1543 182849.9373 276248.7593 103792.8964 112073.1941 5093.976567 13030.15594 3015.975417 38768.47173 28736.91443 3355.67008 10239.56858 6749.280247 11906.2014 150287.1697 217476.756 176212.0321 275082.9518 226231.0324 194353.3948 172040.2044 111918.7842 80726.09827 451689.6819 220283.744 209253.9081 281864.3924 182454.3871 97111.87967 194020.528 3953.364361 162062.1758 3-hydroxytetradecanoyl carnitine 1837.057513 6613.08415 2469.491384 3676.348864 2400.541877 6791.771722 6907.191196 5626.521908 5672.223014 28799.30762 71957.45786 31849.26537 29485.34112 105231.2467 81524.64462 59472.48337 88389.52373 42897.33682 5153.98216 3731.016463 2638.159847 5843.938076 3176.758748 4787.100874 2678.787864 525.6782246 524.997689 28921.13401 50120.50527 40224.83291 58302.78103 141307.0399 30026.72473 36205.37686 51677.72378 28102.06086 4957.103884 2674.408863 3023.510216 5814.236064 5789.146073 2894.772879 3947.924259 422.0908478 525.3759487 10402.34069 16042.12584 5521.836072 12080.19872 6748.537044 50269.51227 6515.692987 34638.13609 3456.39144 Tetrahydropentoxyline 1010.616819 6198.604036 720.7975868 1461.354806 1112.979801 1922.028914 2646.829487 1883.241654 1915.573879 17161.81957 25464.85222 9730.239283 21456.75491 8730.440816 8952.427079 9800.138772 11242.92451 11934.6588 780.9116132 636.6438344 1061.769462 417.4766185 549.009128 423.2323261 420.4032367 480.8024805 601.1913336 11595.72072 12462.44939 17788.01648 18577.66689 16581.73066 10764.62557 33314.67807 10614.89694 27826.23007 745.7421958 783.6867588 753.3208748 706.0667947 423.7562959 942.9585027 9.635380279 551.7772101 577.6567662 1414.592879 1890.640136 1403.86175 2158.158872 4167.625682 15810.33573 812.6826273 18662.28112 2371.8878 3,4-Dihydro-2H-1-benzopyran-2-one 4872944.587 5281563.168 2683524.055 3166682.237 2255477.516 2511892.972 4318143.695 7624962.36 10291905.34 3366649.498 4929637.681 5713335.76 4022220.623 3251211.501 3993762.939 3770379.429 4728131.902 7199316.436 1325715.838 1365822.458 3384599.465 756482.9907 1291808.669 1389481.223 3031692.18 1596959.069 1438211.984 11665863.99 4614218.573 4429337.393 8509172.912 3933762.66 5672526.344 4636903.6 6010844.229 3544290.593 3992585.981 1580763.628 1721594.878 2168496.249 1444682.902 1141912.839 1899808.731 1826613.315 985806.1681 2764012.121 3863283.906 3612834.304 3857215.442 4977851.271 3211282.475 4473219.23 10640341.03 3055233.187 L-cis-Cyclo(aspartylphenylalanyl) 2718.876302 11696.76704 1418.734736 3124.724745 1842.964211 2214.83939 5699.252295 6066.532826 2649.162967 47400.88586 48941.31234 35538.57338 49055.97583 48479.20071 40467.42496 33451.48013 68567.15347 50121.06617 2122.27847 2425.509206 1330.871879 1054.020088 2687.582361 2270.532004 1639.017568 1979.545556 1818.355642 39447.1715 54859.26226 60833.40861 44144.19213 71033.20617 49975.65245 46206.56545 36940.70765 49309.74116 3384.335964 1867.108071 1659.809935 1281.59346 1247.198294 2728.954056 2659.795467 3078.052657 1852.583742 2986.317217 2100.511976 2488.345407 4414.121363 5932.362756 59368.81125 4166.295874 44925.8339 7046.554418 15-methyl-15R-PGD2 15378.85621 3977.049727 8466.718163 10627.72848 15504.67433 16752.14992 6212.857483 10548.13818 10703.35305 4.07813e-08 177.0963593 161.5009699 95.22915015 331.9208551 399.4704549 4.07813e-08 612.8669266 444.2323047 27793.47141 35958.29314 19199.21766 27776.66646 27948.55432 26507.66693 9392.345887 20685.08006 43220.09595 4.07813e-08 209.1779423 108.1802397 110.7806202 375.3523205 140.7418654 4.07813e-08 2131.214903 121.542512 36425.16827 40146.13035 22357.78606 31134.64637 32217.85924 22345.30663 31530.52682 19002.82472 12625.90951 21266.2817 16409.22502 17141.62713 14385.48505 9794.815155 108.8921952 9499.041971 5846.927354 13074.03641 Flavidulol A 13733.25302 6229.317178 27375.33878 4299.385182 7039.126287 6554.314979 12747.65918 7821.614497 14094.94508 4008.238162 3540.7559 3826.116404 3002.273096 5461.950351 6280.810528 6667.09437 3378.132412 3227.428912 23083.91407 23000.41259 14698.24688 15020.31852 45858.99648 20567.13399 16830.3021 17729.60222 22344.6755 3168.319868 6937.258051 13414.96537 11460.68715 3556.728626 8089.850683 5138.597349 2391.191007 3450.842584 8692.93521 14057.23815 17921.12481 13051.27077 14788.11646 10598.45241 38132.56174 23745.05743 21814.28029 12827.46031 11615.14526 9814.552425 10098.36315 5257.952131 653.2270121 17137.22083 5554.594504 16152.71011 Phenylalanyl-Isoleucine 37839.08554 50777.11619 38544.88867 24955.0093 32676.83904 55468.14515 37919.06882 75056.75658 72852.82676 117.9809039 317.20321 4.07813e-08 477.3771518 4.07813e-08 362.1818041 4.07813e-08 4.07813e-08 297.918342 3072.106188 3729.902205 17686.65392 2591.298849 2814.077135 5881.919095 3646.579595 1348.627513 22787.31828 4.07813e-08 200.5153185 614.3345216 224.375786 734.4693193 423.0910087 191.0480105 4.07813e-08 609.67657 3321.665787 6389.248409 25083.28692 8037.915608 5418.787501 2681.071262 8851.507595 1728.947943 1876.064536 12104.36889 3752.065727 10603.95446 12399.3109 35413.7202 558.0041869 6440.756535 291.1428323 7706.706833 6Z-undecenoic acid 42291.80577 37730.39746 40624.6578 37645.16056 39202.44497 36088.19022 36862.67235 39429.63566 36678.13851 16556.91101 16251.5963 15503.04725 16514.81241 15460.22608 13219.17169 20707.6347 15606.34695 18150.51276 34402.41411 37718.05179 33355.8278 31278.81972 28166.10106 36563.63481 34338.69988 36160.3592 39573.59976 14855.58045 17657.5595 17672.08507 18139.21508 15658.98453 17078.3363 15465.50067 19028.95787 19033.70734 30461.60169 38940.8837 31991.36075 29944.23227 30427.22412 34548.17126 33573.02387 40032.26624 31267.72415 33311.29054 28622.27719 30027.32073 32843.82256 29029.39508 14813.89282 31315.88884 20506.45566 41037.96157 3-Phenylpropyl formate 42988.67424 13638.72416 21466.95267 27846.33264 35287.6909 34220.14449 15711.67907 54821.64905 49054.86799 1816.870015 1936.005267 1249.503329 1842.168377 1490.910133 1140.753799 2713.295273 1191.863994 1333.336373 7081.257886 4516.354489 11369.14215 19177.28324 7464.40722 4835.417024 6133.601226 5113.554403 4686.780984 1360.784206 1507.785474 2208.074491 2116.107084 2474.247775 2636.881626 1697.012564 1691.437515 2472.482662 33565.05343 7488.598444 13933.43584 9439.287137 12350.44446 9657.398382 4883.060797 5210.075439 3494.774621 5688.827083 23573.06702 29601.55513 48767.03753 44148.34054 2165.861531 26199.327 2562.846036 37703.90694 5beta-Cyprinolsulfate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6361.883102 11429.69682 15571.22589 3331.067657 41831.46729 23673.45877 33728.17126 430912.7722 36780.59956 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 183.1891068 4.07813e-08 2.416961932 4.07813e-08 4.07813e-08 26854.89612 4077.095874 2752.258539 8988.575165 6419.673598 1571.155687 3327.754999 44959.22189 3984.675115 380.0596783 4.07813e-08 4.07813e-08 4.07813e-08 187.7823231 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3405.052695 4.07813e-08 414.5696672 199.5003796 2395.071642 173.3423079 7616.529284 4.07813e-08 Germacrone 4886.04287 4825.807715 3409.62298 3483.251728 3327.480746 7218.321792 4731.088288 11088.64727 6953.709359 13314.83269 12471.37776 11675.16098 12496.40539 15056.06848 3895.441971 10686.20808 22955.87037 24478.15097 4576.366117 3952.514714 4216.566155 5137.837457 4515.618924 4854.143627 4825.003728 5738.369382 4543.765687 34995.1352 41624.94845 20509.78137 29623.9251 49671.81573 21823.13405 16003.83276 31487.736 23398.31879 31651.19315 3498.914669 4118.393198 3086.98758 4504.173248 3968.182648 4781.667219 5222.281422 6183.75544 3700.92829 5760.205106 6361.194342 15553.32143 12006.29342 29848.05057 9253.26453 40149.97175 11070.62288 (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid 318.8132233 3829.471196 314.5385403 599.8553026 87.21264608 307.6682709 1659.583148 1262.444294 1555.92218 10677.40205 11543.85481 14853.93001 10729.11418 15633.00916 7891.612998 10222.93789 9063.102813 12807.01308 165.3409203 86.47920168 142.892217 12.23036534 77.62943057 250.781865 177.7122184 681.633031 78.0062751 9250.461895 10735.48811 18509.39219 7313.139102 15476.65348 13248.06146 11579.56465 9516.399716 12476.39494 163.378445 74.24933701 124.9103765 85.62514987 147.6603234 161.5090659 95.25753051 20.97765237 124.6052131 425.5187744 450.4129581 239.697243 532.2196429 3204.940549 13057.71456 761.7977398 12183.15721 1370.88873 Meteloidine 9506.403854 5651.787487 8597.603779 6850.731253 8229.953598 8587.326977 8147.209723 6074.119552 5080.478797 853.9229913 177.9701319 388.6312908 723.4719385 360.8584909 910.0233898 9.268794645 111.3470844 695.9030094 11617.49201 12529.33287 8273.460235 10818.0627 15139.50837 13460.99728 11127.27044 9698.261368 10966.81144 84.20303812 180.9954193 366.1150265 106.7477186 343.5546741 277.0216319 294.2504368 90.84603501 394.9698138 9536.482018 9293.7756 8370.011809 10011.45445 11293.35558 14191.23689 13631.75527 9427.087058 10320.99182 13695.48915 8184.497591 10258.40399 6948.526035 7122.047349 1188.819781 9790.58536 467.1702707 11323.19427 (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 2480.53233 605.9747357 1210.315042 1537.874239 707.2497288 692.8747771 2888.283284 476.3828684 386.0760278 2873.63914 14956.55987 1906.311616 1161.46762 9534.023423 1179.808343 6784.341604 954.7879687 5563.764561 1212.763388 363.8127567 778.8372435 1011.912062 938.5812733 724.7317166 1049.462682 1232.98536 891.5421437 4.07813e-08 2255.976782 6878.84186 594.6643309 4633.475873 692.9201243 471.3140719 79.64679924 1646.653266 1031.453464 493.0916569 712.2899678 473.3518203 1164.481953 949.5465411 393.3174621 1012.54725 1337.440464 911.6648701 307.5393163 336.8589811 626.8280415 231.6218986 1094.745983 831.3168917 2095.290727 665.4889 Methylphenidate 89616.29765 55514.19545 80508.79639 79606.2717 60635.39282 63140.07737 50633.21014 71046.19298 65175.31059 15493.63325 17337.64222 15972.70228 16837.55356 13758.59461 4355.78741 8482.954784 15498.83345 22793.68614 34318.36993 24973.90317 67086.46475 62626.45526 55832.04752 28749.50815 30205.42887 42174.03599 43531.83477 12522.48474 21259.30191 49850.61985 23966.06176 38899.6346 18090.14441 27908.45912 15005.85214 26839.29734 96805.32609 54816.67587 59437.452 53798.21743 53698.45983 42893.89327 31934.34948 27972.31443 53406.10609 12108.1766 14685.57862 41541.12975 62374.17354 55901.18674 23747.25282 57043.07857 30096.08649 56743.47044 Curdione 8917.655309 15130.05 11469.53831 13251.07962 11145.83896 11843.84527 13085.57832 13982.49105 11042.43903 37157.33977 23341.34891 31340.02037 35551.77089 33690.38229 15181.92617 29676.11837 45394.51675 37518.98534 11114.01936 11023.74024 8397.916501 17028.97776 15890.4648 15565.01655 16691.49011 15698.46151 17554.75652 68858.38602 83941.31807 47859.18452 109274.1096 55014.96575 73723.79476 50397.58704 70452.25602 35740.11356 69172.81141 15322.96188 8455.182688 9442.631397 17827.09527 12582.09613 16931.65728 16228.44858 16264.33113 12776.82932 8987.122505 11277.55607 20964.39818 15462.30785 63565.35836 13543.23546 62430.45262 18354.82362 Acetylpterosin C 367445.8128 140956.5258 199831.4481 268000.0574 341203.7343 191437.2249 139204.4707 382136.5985 327677.0614 346.3772621 667.3552885 75.70900505 255.0768554 119.7264401 240.7935801 1411.303756 4.07813e-08 107.389837 44896.60009 27742.71704 62412.20269 105452.1376 43101.77241 25953.11061 57576.85662 46263.81713 33894.45774 267.8034615 141.6266922 1104.702546 543.4781617 901.011646 679.5436892 240.8476658 80.24762767 2200.771775 220567.311 58552.50093 79901.90916 53591.60121 99541.99051 84900.76299 37779.74711 37552.95638 16045.54591 24571.39625 70498.62476 140060.5563 240663.8228 346070.7158 722.8482899 142085.9485 588.6329628 303359.0311 2-(5,8-Tetradecadienyl)cyclobutanone 944899.4412 1125697.072 951509.9365 1061964.588 922534.493 781750.3413 892854.3154 886790.5184 855367.7687 744324.8219 712538.8274 625349.2557 674375.9252 846553.357 603995.017 960710.8397 621094.3235 707641.5624 643654.6608 643952.8399 602443.79 651715.0483 613370.4561 596604.7517 656980.5455 839784.8628 715288.2714 594108.0605 639042.2096 743188.5014 741439.6074 622452.0132 612083.6005 587609.3997 1035468.824 844964.2689 778352.2978 640673.9583 672093.0854 596251.7756 577328.6677 637941.5438 637956.2229 784144.8925 730898.4711 806578.9845 697185.2287 683169.0941 713773.1374 679968.7167 541048.9208 832480.1743 792709.6853 831453.1289 Leucyl-Tryptophan 32649.59447 54235.17268 24621.96318 40483.65665 18801.42871 23735.22401 36595.09749 41229.35514 29913.30389 7765.288713 8619.798347 7532.433463 7685.380567 5771.225381 8503.908345 6172.243323 10060.54522 6932.133425 11738.6252 13567.3463 19640.54952 13403.76712 14820.42627 15494.57937 17382.52994 16624.43265 17633.01133 8175.154092 9587.358432 9639.605383 9810.83984 11344.64193 6020.589724 6299.344348 10611.96531 5479.805007 22796.43449 16586.93196 18139.69659 22910.06067 15345.34472 15287.24557 13875.04017 15528.03817 15718.5187 14001.59431 30788.95251 17035.29723 50081.65006 74288.50761 5847.696721 15362.51734 10112.52021 19015.42604 6-{3,5-dihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 272.7293181 4.07813e-08 4.07813e-08 1934.910411 2214.781989 212.196066 4.07813e-08 354.1238573 4.07813e-08 864.1356801 24054.36667 4.07813e-08 673.1394642 4.07813e-08 5747.140227 1480.913835 100581.289 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26487.57166 4.07813e-08 2288.600668 767.9803981 35097.30273 11392.21951 936.0367313 26827.80012 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 199.8329541 3841.958522 4.07813e-08 17412.93624 4.07813e-08 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)propan-1-one 33019.38295 24190.57224 45773.68715 57372.4736 62251.13983 58996.07626 36724.85106 34082.46419 33806.23642 2.494861552 4.07813e-08 0.26813928 25.41676093 0.146062784 0.025413799 4.07813e-08 4.07813e-08 8.892782801 56950.30057 45111.68396 41458.09762 42353.3937 20114.15073 49059.51434 30920.51098 48438.72497 33793.26646 21.40062042 0.000994544 4.07813e-08 0.917947685 4.07813e-08 4.07813e-08 0.059239992 4.07813e-08 0.134670231 31181.77565 30804.21019 28222.14952 31575.59681 39702.99771 27685.61002 39052.0773 44166.40102 42476.76046 25644.14568 44421.89968 35564.95305 23618.16522 20039.50377 3105.389891 32995.088 676.1939701 37254.44753 Dodecanedioic acid 17714.23984 9710.50039 17115.10312 6688.360508 18948.44019 25389.07055 35560.9553 15655.19148 9654.742427 38.92425378 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52.34008903 7870.63328 25277.7624 14457.68455 13840.37418 13810.49822 16904.89576 17950.5678 14613.2623 20337.10297 49.24605072 4.07813e-08 59.74535184 52.6794414 4.07813e-08 43.28020454 4.07813e-08 4.07813e-08 4.07813e-08 2442.871998 14824.83827 6945.447202 15562.58534 15322.95987 12295.63263 19391.37449 18269.5952 3866.965756 18925.66037 19930.64391 22680.92245 8839.247903 7195.23921 4.07813e-08 14203.05506 53.07896079 9987.028306 Distichonic acid A 4.07813e-08 1042.469252 1961.084139 4241.713931 512.6832777 5550.252292 22695.66926 4107.384532 1215.554589 452676.642 317391.8439 110847.195 455271.8259 80785.96925 245403.9992 60033.95114 67414.30799 127346.9681 7.738747333 953.8049776 1069.986757 998.2563629 331.4640446 257.0892607 2767.656846 1501.002266 2646.763319 335076.0905 280601.458 85620.5435 215013.1385 377726.2672 221602.4465 443641.3649 54839.15244 92375.91218 7074.035047 1527.708976 4.07813e-08 2447.300578 105.7432595 0.925974676 176.7301402 3499.684702 106.5390281 1147.653999 1172.160619 1496.830295 13019.75452 26526.42459 437411.0813 6719.452955 283829.9529 14973.17274 N-a-Acetyl-L-arginine 42036.73417 38767.27604 33329.8797 35702.71644 35275.80463 32670.60555 32580.56825 48050.89447 67282.06763 124051.6449 97504.88709 59267.55605 145041.3853 66391.92104 76038.26352 67453.94326 84852.94198 111113.7656 31183.37991 28925.20582 35964.36514 20965.27206 25546.47902 30504.9731 24445.89746 41100.81856 39517.73574 87645.54914 90709.14665 72943.88655 99271.33839 127001.2078 76996.61037 158176.2653 69529.92076 75510.61533 26094.52533 29641.66722 33022.55226 34266.25666 23548.17956 24486.39727 26743.41631 45784.06999 30844.92722 36450.82575 27250.90093 41401.88864 30050.53812 44547.62744 110004.1664 43675.03116 131941.682 26209.45109 Cyclohexaneundecanoic acid 21005.89019 22373.59456 18905.29478 20058.70787 19666.88261 17879.51186 17277.85371 20628.84431 19707.07339 13054.40045 12393.75536 12336.12742 12931.01039 13545.88183 10972.49461 16443.74036 12250.86388 14470.81895 14660.8546 14962.58501 12802.82851 13649.37557 12319.58974 13116.03222 14736.21539 16498.07635 15044.23214 11669.91746 14819.49655 15429.6748 16033.59852 13334.27544 13951.49119 12212.65141 14720.27222 16292.49947 17156.01467 13624.65521 14854.90245 13131.73067 12837.33279 14952.59783 15084.54138 17721.64939 15236.44274 17340.05577 14524.27741 14785.42371 16482.51618 14982.98152 12253.98207 15162.1228 15293.98514 19723.22037 L-Lysopine 130676.9245 187681.0142 61165.04344 121151.4419 47319.65891 63039.40488 159512.6237 174156.4241 202112.6959 19638.50924 22800.94884 18846.78475 18975.70293 8959.647438 28936.1498 21310.49119 18746.28373 16761.06328 10312.84407 17776.4068 40808.93127 10572.49585 16390.58766 11492.72284 20138.18673 14990.14139 19659.43465 23209.33643 17060.35019 10035.57201 26886.32972 11873.781 15143.21299 26950.83336 39156.64921 17670.97016 32623.83625 37021.27957 43615.58732 34524.5346 13443.02969 13141.85448 12447.18837 14854.11344 11428.14757 10723.68146 46280.53737 25153.1949 76253.27063 97204.47717 11457.15353 33833.64615 16572.66208 26862.6319 2 -(Butylamido)-4-hydroxybutanoic acid 20882.65663 21272.02068 20348.33683 18021.99728 23364.69704 17080.18619 35746.62356 24753.89033 17931.72823 8163.985247 12407.30196 5652.993027 10484.26313 5458.635011 4265.973082 5808.147205 4197.803982 5648.619096 17025.50698 39511.03402 13293.23788 15835.48201 47279.00556 66504.2172 38960.79218 21222.47705 39030.70684 4638.082126 5289.011427 8068.858624 6386.361063 5630.257596 5915.840885 8603.225844 5639.244441 10282.16025 25180.98879 25776.99851 13928.26936 17429.07687 18501.11191 29696.35101 59549.93379 21163.70105 23110.79574 47333.7145 45237.63429 20575.8501 17640.60657 23126.43676 6777.914927 18819.4951 8306.242585 50857.1482 Deca-2,4,6-triynedioic acid 14156.69176 23576.04061 17949.5021 14638.42111 30880.24257 17478.76693 12671.35293 16015.79562 21839.71384 4.07813e-08 222.8186918 86.08005533 4.07813e-08 4.07813e-08 4.07813e-08 101.2434903 44.45507739 4.07813e-08 35918.11478 31206.01645 19247.12586 22155.59657 25107.43219 26940.53347 15754.22028 17644.48465 21133.57428 4.07813e-08 4.07813e-08 63.99932732 4.07813e-08 117.2144667 114.4096684 66.77227391 49.53069527 4.07813e-08 17932.78432 21379.66055 14939.76985 32969.94691 20769.5968 18224.44476 23051.13376 17765.31951 13638.68015 12295.76504 20849.21001 24655.8283 13215.68613 20595.28375 4.07813e-08 32744.90559 4.07813e-08 16103.50454 Phenylalanyl-Methionine 14374.74393 10205.34793 4583.712814 175.8076337 4.07813e-08 9355.473431 43951.16314 100392.8603 48339.46898 3506.630136 2237.860108 4.07813e-08 2646.38978 4.07813e-08 12016.98522 4.07813e-08 11297.97584 43742.53992 6331.218671 9649.378709 9714.777364 24888.10719 4648.524827 3127.935957 18420.69648 26381.62193 12814.53845 4972.051348 7611.495557 4.07813e-08 7905.718667 5506.63801 2013.9329 5264.901481 2400.134464 80.08651936 26741.03081 12635.81286 12253.96311 6766.370071 10542.58836 10733.09423 4320.015109 20692.31336 44453.42251 5823.148397 7885.141392 11293.70899 12302.5375 14322.23561 15757.84288 11029.91829 11817.04691 9246.101662 Octaethylene glycol 1072074.611 1077467.467 1019718.228 911621.7064 989848.1186 918473.5581 875106.3894 992354.2153 834227.9658 639336.4404 541054.192 600535.6601 668773.524 684731.3346 545827.2156 816848.1518 714732.0279 784192.4765 700406.2409 743610.2143 832618.0333 759015.3095 585701.5877 588366.338 643379.8163 769754.3619 786658.7629 542287.2621 679682.4837 730899.1784 732172.1308 723017.2257 591921.0023 528565.6175 793139.635 736323.8195 819273.6356 640707.1065 734895.949 641354.933 669405.5948 630480.8185 723486.1682 888103.2619 708580.3693 862715.3731 772738.471 650472.9945 655002.5799 674839.3907 584267.2815 720931.7099 773574.257 1040305.398 Moschamindole 111527.8035 99297.20947 28112.31483 33.59459837 53.29910592 41756.16954 286188.2903 374460.5845 150456.7755 93604.94259 64940.25935 4560.157065 101844.4113 114.7310017 293526.9141 110.1434898 267932.9795 514418.8507 46405.61897 66469.19493 48957.99119 96512.044 24692.3423 14395.7929 80292.22648 124372.5803 74904.08423 121320.2931 117820.2787 4269.510009 128809.2463 150210.5485 52386.70444 154589.065 36935.17393 5204.506815 157038.5105 89306.79164 60093.73291 25237.16711 54139.34502 50837.95266 17626.52596 92543.20962 165848.4578 20904.79106 33923.68605 43044.28461 73271.19471 66744.11441 226659.6226 56965.64706 120993.4238 72751.76519 11-oxo-undeca-5,8-dienoic acid 21759.4036 9281.198731 17061.66012 25367.4697 31701.2722 34850.59182 61353.0502 19112.49273 23913.66096 4642.698456 4384.938595 3174.348754 4287.395174 4058.953344 6004.336813 5947.18396 3074.685348 3828.269483 25841.25511 24922.75995 17839.36909 28650.03841 21849.02662 38858.93919 30666.85108 12450.73987 9726.78306 2637.854149 2713.101926 4439.854048 4298.708271 3693.855867 4418.896526 5431.687836 3020.238829 5016.354845 33065.43333 24064.87171 26428.9162 23690.34672 26492.44547 26055.64197 34566.43212 13755.95518 10854.39741 46743.86273 35254.75682 33336.41277 22945.37758 21786.35643 16674.11679 24739.88217 10507.23057 40182.20869 Valerenolic acid 12253.05848 7723.393294 9065.431102 9895.103432 10703.81912 10694.51451 11784.65605 13598.50976 8837.4267 2521.388083 3295.219324 1674.42805 3400.133848 2288.861503 3395.13076 3064.369396 2806.132406 2870.554423 18033.00515 22227.536 33016.29181 32817.07257 16326.32543 19124.18299 18445.10443 13681.25807 13528.4285 2315.381984 2716.960113 2754.642076 2522.332397 3341.24618 2892.704677 2970.530075 2780.489627 2691.639321 13018.5004 13684.94676 10325.7385 21489.98494 17644.30223 18795.24785 18142.90441 15081.08457 13041.9332 10863.54022 8836.481633 10429.83316 9055.699137 8512.686731 4104.711971 10943.59102 4778.207495 12308.75046 alpha-Vetivone 78207.57529 47457.99384 49248.07283 44307.06536 39906.30988 55882.42837 60158.1131 30653.95439 32979.85969 29827.64965 32180.63352 27682.23842 29851.49741 30117.03503 47484.67679 25358.35161 19827.5097 15452.07306 91024.11819 59425.20704 80228.36674 76466.92782 54425.64968 45256.40362 62403.00786 69604.38287 57675.52025 41172.2315 44307.13234 33878.83286 51237.90942 62972.8397 43066.96794 58180.77084 37058.14292 29621.09019 88285.58817 83879.12224 88437.03592 68623.20987 67000.09461 62212.48832 40067.16033 67267.63907 72390.36798 40943.64972 50204.12445 77390.87424 84163.3321 77786.00879 66521.29388 70036.05694 60223.40955 53412.38026 7-Tridecynoic acid 18044.27427 8177.104039 12961.78646 12691.27462 11003.8012 25832.30629 39566.36519 13924.03789 17967.44544 1703.519319 1938.848669 1755.477716 1923.856031 1844.663475 1460.470932 2697.626541 1825.9831 2362.128329 2755.954927 3006.814494 3319.572581 6291.064512 3810.01372 3944.674979 4379.853101 3214.415062 2962.890735 1535.9408 2198.204321 2442.373097 1852.749939 2178.737295 2696.415119 1914.211913 1845.215804 2784.604275 12198.371 7045.086082 9295.164579 4646.960866 5504.1657510000005 4238.471938 4607.477905 3523.137501 2769.666247 3195.890997 7966.807318 15448.34808 16394.61566 9079.600367 5061.671058 10436.42048 5276.204756 23138.92466 Cysteine-S-sulfate 4.07813e-08 1106.204144 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56149.9866 69924.65087 74708.68686 60707.07172 83368.3694 104473.448 170057.2251 131091.2572 37980.07958 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154340.5001 94247.35956 90319.64954 149500.3332 68263.33992 120303.1437 40942.48698 162648.5107 102382.0353 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37359.22886 4.07813e-08 67165.70868 4.07813e-08 3-Methyluridine 3932.175658 4982.190526 1415.827661 2421.411872 2580.655602 2110.875607 1767.842715 2711.323242 544.3918408 111835.1429 161856.1709 11429.4769 96143.6219 56742.45249 70539.23846 175615.2672 28203.09598 25452.55641 4523.84635 4457.6872 5829.412214 4861.467692 4510.867185 2144.233884 4847.996215 3255.666734 3687.45018 30093.52368 29631.8028 147126.8479 11322.49465 20041.91051 31138.482 95964.90722 18870.23233 20722.06204 2756.170669 3101.97439 2206.244673 6052.043354 3055.768859 5464.954427 5226.029693 4897.324913 7593.568636 6401.666334 4189.668569 1902.231946 3663.305594 3366.087274 35187.23819 1954.967517 89194.95171 4270.673918 Leucyl-Arginine 87377.92363 88362.73342 78288.30714 110881.9447 63208.79912 85219.66578 110385.119 98237.92686 62958.74083 21647.02511 19194.48119 17112.22254 21869.36416 9267.877488 19902.6605 14379.52116 13443.95673 13336.83986 28222.33565 31003.52585 62284.8072 23798.43574 29682.55793 37945.73356 34356.65458 34786.19147 42001.61448 12536.90188 17827.74839 12416.13536 25156.17185 15167.93247 15676.92383 19082.53072 15316.79112 16781.47387 67157.61058 53462.89807 68531.62421 93121.21064 21393.98279 21992.14715 34471.65575 31849.38168 24257.06763 30991.40474 29348.67298 29225.35545 43975.49106 79701.43364 9949.216143 18499.51211 29994.26853 18610.28314 2-Hydroxy-p-mentha-1,8-dien-6-one 75846.20299 42038.33017 29648.66159 42730.38321 35046.83695 83498.70397 97646.45546 82927.07832 59592.846 2049.062589 2027.611149 1783.185318 2240.516144 2292.526873 1767.165198 2583.740532 1752.625195 2231.080602 48213.10413 64347.04982 45784.63234 84068.36021 127083.9387 119787.3198 33939.60911 64292.40613 33429.12719 2106.105947 2532.325444 2419.786073 2650.328224 2624.394984 2495.834642 1795.067277 2236.576207 2637.881344 115351.851 59811.33515 52743.94768 80914.18214 97345.55024 62952.64873 89326.13036 51495.76052 27570.23538 46527.78731 56968.33151 68382.52894 65616.19879 58159.96015 10139.22796 42638.7149 4908.5596 63377.95555 Phenylacetylglutamine 26211.02012 31789.22991 41852.03359 52855.96934 61058.03614 32519.96893 33247.99859 15390.87945 14903.33832 2874.829512 3981.432938 9419.458312 2830.806845 9452.305039 3165.710781 6975.032658 1774.120047 6547.22421 42011.03346 34505.10467 48008.01938 38792.93989 41196.84077 27733.63356 35630.56723 39158.20842 41987.66071 3038.201456 3483.30062 8056.855793 3440.107354 6478.440953 7922.335255 4617.569606 4662.550309 5742.715469 34089.74503 31532.6416 33925.17075 34774.18807 35189.52726 44497.84833 26821.69711 36688.88844 44079.67958 29519.32149 23410.98923 28216.22124 31767.71931 49668.63804 4978.573961 32962.62164 4037.269415 26771.6978 Retreversine 42907.04955 33563.1105 38042.39058 66177.18856 58658.81394 87625.65862 45231.84841 74193.54931 58110.50112 169.6602966 227.0593666 434.300679 171.1964505 330.9905744 771.3205141 145.4208802 839.3130429 1151.280647 13832.79505 14493.1655 29312.73266 12577.20042 21906.84665 26661.83734 17012.64746 3973.705135 20609.59147 358.6161225 659.5074078 772.648846 581.8844019 324.134264 515.1662264 391.023736 419.2143194 608.6818467 18496.47181 27351.30003 51485.58008 37399.753 18245.88268 15736.4963 24242.95122 2489.476644 9597.457257 12782.58389 23851.91959 30682.06266 52319.22419 51256.18594 505.0718564 22592.35855 169.627595 14656.57893 Jasmolone 22317.10868 16270.50246 24714.49536 22374.89413 22683.1039 21478.87317 23151.2902 21438.29638 13368.43959 4086.330499 3609.228215 2878.016534 3977.084476 2753.349516 2850.816292 5242.425037 3510.698986 4291.43501 29526.78464 30411.18085 25790.24189 27690.12311 33300.05391 26407.435 29163.71179 40876.30398 29371.454 3202.265996 2694.506016 3844.161498 3748.735312 3949.826738 3747.702805 2990.296858 3625.374965 3665.094192 20812.43725 26944.90751 23417.13339 28490.53354 29166.71063 31443.64135 24537.71769 39138.27789 40459.22895 22096.0132 18191.92929 23809.93673 20302.39164 20267.15865 5377.68178 21945.95171 11400.06287 27242.31607 3'-N'-Acetylfusarochromanone 1345.39183 809.9008767 1283.111722 1421.608098 1164.623543 534.2458305 840.4775844 702.9282734 340.7854323 15784.41642 24606.23791 16573.56951 11690.40704 36529.44872 25624.8194 47205.06963 77101.16804 11326.44456 389.4606611 42.62618909 514.3095287 773.2713063 985.3391361 578.0195188 830.386814 2009.294453 756.1349182 7398.392078 8705.485834 20261.97564 4817.947689 17640.38719 7334.315099 6451.963815 25384.06414 17525.15275 1852.620728 463.7256572 572.0398098 560.124768 607.7830524 918.5257026 354.2790191 1852.505622 1293.705015 718.0335187 761.6148832 1092.503229 962.0698293 961.3670281 6398.108621 462.5421401 3850.504882 672.7762763 2-Hydroxyacorenone 14945.44233 8069.964113 10409.46129 12224.2612 15929.93814 15781.30534 16371.64926 14777.9284 7675.460482 1681.359693 1775.694848 1434.184035 1381.381814 1457.626463 1823.798621 4797.158436 2819.116791 1280.509224 23133.43915 12814.3372 15373.38742 17200.01236 19155.99202 11772.27274 16902.55401 14773.44187 18871.72176 1691.061351 843.869425 2671.768457 1668.793038 2183.052863 2777.567028 1572.773609 2193.631619 2046.979475 18408.11439 13479.47175 13152.01177 14014.6642 16110.79473 20259.59226 12005.68566 15588.20749 19095.87831 12268.94087 7907.665197 12654.95664 11586.0065 6996.339327 5541.75096 12658.71906 9326.743027 16134.40615 (3beta,17alpha,23R)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-ene-15,24-dione 9709.04178 27707.81319 22450.56092 36196.29085 47859.38257 11978.59057 36393.34212 52198.1276 41827.63537 117.7404651 517.4990951 276.3001874 165.8214562 653.9749672 492.5229643 175.2483813 1779.554355 1594.693189 24062.56525 46054.68121 31436.2003 80024.66745 85290.34844 23523.06954 49473.44984 39956.61482 32636.46144 202.9046883 17.91718733 343.4585955 61.56534703 159.5289045 22.18019187 89.32680227 679.4177996 73.36093689 21769.68858 35285.56478 26899.71043 52290.92891 86760.88278 69437.01781 22382.99895 31080.39028 50155.35126 76738.52918 77024.50024 39444.3834 31543.79489 37427.2967 25236.73206 62266.48188 6087.279582 22781.71601 (20S)-17,20-dihydroxypregn-4-en-3-one 83208.65555 7402.174858 46407.69415 18061.98436 21490.17101 76367.33593 5068.70202 22451.62207 29100.95911 4.07813e-08 4.07813e-08 4.07813e-08 34.23097433 15.42579658 4.07813e-08 87.95004089 136.1635657 4.07813e-08 43389.88533 20048.42181 28931.28671 31291.76041 37562.26724 29488.11206 7387.894989 17623.60695 32914.86059 57.18590587 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47.52997561 4.07813e-08 81720.60896 22959.05599 39694.8562 20700.23224 36071.263 24058.46695 32838.89943 13001.78632 27436.47577 8389.039687 11306.11878 9877.131223 11871.96569 6318.80779 3962.235872 3546.611075 11534.10925 22095.21641 Indole-3-methyl acetate 579.8328641 745.99067 523.9598655 437.4376623 280.5746238 533.5438496 592.6572286 932.3703559 1451.419788 3628.072513 14067.516 4453.535006 2524.891355 11958.92773 2565.064626 6019.696219 2536.30059 12310.77571 694.9219829 655.8645779 288.9178899 184.1981569 100.0582153 791.0881675 188.2907643 2512.300211 754.1632269 673.0934153 3358.934544 5739.604986 1627.886002 4611.339247 1504.620801 1071.429919 1445.467398 2446.266989 649.3449503 209.3988099 222.6286647 66.08807056 67.91510345 4.07813e-08 374.6231392 3085.329198 230.0400866 215.4312553 655.9953618 614.6070183 414.4262443 591.8002365 1689.170758 396.9372198 4234.477182 421.1620131 (25R)-1beta,3alpha,7alpha-trihydroxy-5beta-cholestan-27-oyl taurine 4.07813e-08 4.07813e-08 103.071549 885.941513 4.07813e-08 4.07813e-08 70.47206758 4.07813e-08 4.07813e-08 1169.161686 2783.12824 11146.16977 453.9321239 3461.293937 4920.338253 8523.079527 241056.8955 4.07813e-08 39.29412653 40.22861282 4.07813e-08 24.61944471 4.07813e-08 406.248621 4.07813e-08 194.8723579 57.78449176 95738.90847 2613.601472 7684.324626 1301.73788 4139.314562 5478.710992 4320.277239 110785.1964 4.07813e-08 4.07813e-08 69.91458239 4.07813e-08 4.07813e-08 205.1438291 393.528937 353.2666498 16.22786535 4.07813e-08 2170.058139 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1954.921585 6.312230477 2550.041992 233.2079471 Alanyl-Valine 226549.8383 298175.803 122578.2299 220568.4646 102062.0071 115790.9588 284509.4358 262962.8767 272862.3254 19578.44193 19872.82556 22880.8321 17573.73205 12516.86466 31755.11016 24950.19434 29120.29032 17967.40907 24683.53332 33808.74424 84433.28853 26749.5228 40704.25074 24725.20584 58931.8782 51262.42181 42538.71006 25491.80783 19161.71384 17010.13192 27337.40408 16984.35863 23113.59728 28233.89275 40377.08201 22112.54244 83307.77857 77354.81129 91411.68914 60076.47018 38281.28354 32764.21261 28135.62379 40292.80361 29564.40035 24616.01295 60930.77513 50104.36543 134234.8428 182422.9003 15244.57723 63083.48155 19746.62592 51097.73609 4-methyl-5-carboxyethyl-2-furanacrylic acid 19346.56393 17164.53702 24263.0516 31919.49103 42466.46047 17211.25873 42709.73282 13371.83567 9987.810293 2059.912349 2267.605135 3059.52895 2213.978738 2370.720269 1861.534802 1100.841739 414.5399798 2002.328311 20786.50958 45402.48762 10435.30051 17512.59494 69785.65503 63397.95514 54407.86367 20557.85299 41497.26732 1449.469709 2602.599988 2856.092206 1286.149225 3070.062806 2574.943361 3086.326134 808.9287357 1529.71472 26760.41995 30747.79987 12214.73565 16807.66381 22795.859 46425.66734 53571.56954 20912.21941 26376.49825 24780.06601 23066.10429 14857.45313 14239.62578 8387.703201 2686.441456 13148.34985 2445.023398 41092.31931 DIHYDRO TANSHINONE 20756.68475 15543.57477 16003.11058 11962.58905 12432.63603 7676.467951 38394.16087 29444.71227 27688.96193 102.1978113 86.46081678 189.2882453 233.4488483 3.233220114 194.9785556 281.8213651 4.07813e-08 4.07813e-08 7311.396816 71056.00969 6001.671842 12833.53213 60874.42007 129014.7462 51537.63367 27469.27127 56815.83595 71.46356843 4.07813e-08 108.5873909 4.962902841 340.0075352 517.620539 190.0869932 65.16934749 6.442830506 16696.91311 34871.75513 4545.177265 14580.97495 19111.3585 27573.02452 118201.8592 29052.4594 33535.13481 53396.89161 37083.7345 13670.64475 5635.249487 5823.328324 313.7537031 8473.749514 4.07813e-08 83868.7942 Octadecyl fumarate 54516.98381 56890.99056 52568.33478 55078.09045 52049.79702 46588.90828 44473.42757 47345.05938 50545.24743 35522.65113 32851.44727 32896.64645 32561.28071 35661.21826 29223.87019 43318.19293 35432.65909 37347.25248 37284.51978 37659.86855 33963.79216 35783.16796 32401.29431 36469.14291 41263.40453 42619.54066 42366.07432 29379.41885 36241.03204 40048.07609 37551.65309 35815.95755 33876.67178 33654.54143 37484.25142 41705.77727 42348.17805 37195.04849 39263.69736 33125.28379 32419.14364 38692.03989 38690.70206 45516.21625 39280.75765 40804.39637 41120.39117 38480.79916 41646.52052 39280.31215 32087.46413 42829.9916 38883.50312 50955.8266 Homoveratric acid 2336.513322 2629.436144 3372.942531 2177.105442 2954.23989 2654.312191 2859.016555 1928.269748 1579.398319 852.9038315 9446.491313 1309.829276 1022.09405 2341.615734 2205.226628 22682.94668 29459.25402 1919.914305 2999.43876 2564.963059 2795.916352 2736.452313 1470.854584 2033.542113 2370.655653 2754.081624 2346.159571 13243.55646 862.6892896 30613.39982 1217.107912 18856.4942 13956.73605 1011.663042 18899.546 10717.32431 2429.735669 2375.77172 2714.399959 1620.122204 2609.654972 2316.135255 2275.483677 2912.720018 2591.572673 2154.26099 1682.902978 2017.571654 1613.439631 2011.219212 3728.734291 2502.13617 8366.730658 1922.387008 5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one 234096.7142 150537.5601 243765.65 231257.3979 324050.1378 244410.3732 312878.3211 263002.7226 182074.8779 19453.79845 20352.20309 16457.6042 20289.25886 14876.77204 18178.59089 11060.73278 11246.95486 15603.19483 250652.373 492533.4612 112259.6838 271296.0401 601449.9065 583407.3671 473398.7465 274501.1304 536552.2901 16513.16299 19601.19979 22853.76014 15489.16124 20298.72252 19419.12324 19331.73125 10526.93917 14830.04138 234291.345 316292.3087 121565.0926 270654.0424 376056.2203 434008.033 518299.8653 283534.312 398191.4353 429485.109 360990.0024 253192.3356 173612.2033 136063.206 24438.69173 181880.8396 19656.96003 474952.9537 3-Methylindole 2665.216998 1409.894668 3181.787918 2559.932253 2871.782813 1985.46437 2775.40037 1870.465373 1217.576754 86.29565721 21.1198619 51.661063 61.19301683 42.4121474 11.83769563 21.51458613 30.50833644 46.64013685 1014.460713 1383.205125 3230.805405 1207.176323 1227.497075 1495.891124 1385.685468 553.1549874 1230.025281 40.77666897 22.66294796 43.06870918 83.50674735 44.13487277 78.11608249 15.30994186 60.78986151 19.04280087 1028.780136 1803.853114 1796.408498 2406.811239 1491.411387 1095.785894 1365.42287 1139.034238 295.9276654 1615.906214 804.1408719 901.7958512 2123.554587 9077.518758 63.90373924 3871.074354 4.07813e-08 2251.104428 Plantagonine 9596.062446 4828.91317 12345.24431 9003.672602 12142.61094 6864.578551 11891.31225 5704.596023 4285.242224 29.58421055 124.9767005 109.0328277 60.69460109 89.86900732 113.8543606 111.2035652 92.17024718 181.1015302 4817.894636 5057.28934 14111.67602 4292.513727 5085.222702 5635.282079 5023.470272 2224.845136 5055.927508 61.81303976 209.5627017 197.5182432 201.8502334 139.3667886 129.6668596 109.2738534 100.8471787 37.07038545 3796.23066 6942.348109 6880.963768 9883.13034 4778.983365 4962.210562 5619.061043 2998.720937 1110.183341 7233.040162 3580.009076 3752.392103 8616.530917 36624.17556 57.82023484 16692.5015 74.14867925 8946.616494 Oxidized Latia luciferin 24896.21158 17829.33744 14404.67799 18377.75579 48044.42704 14707.69251 46707.9482 11632.62577 19839.60549 952.3746443 867.4991539 662.843659 777.979734 616.7931471 464.8375457 1037.970266 657.6143001 1123.709119 1225.26909 1236.913094 2448.436453 8622.6754 3284.084603 1584.602738 4044.604192 13602.42171 7612.809005 336.5842984 1022.420401 807.5416106 1258.663627 899.7311857 1084.381401 777.6996152 1172.051613 1197.522762 22455.94646 7039.641677 6272.142886 3212.074506 3518.119996 4378.506547 1517.651806 10018.26636 1763.712169 1046.866084 2139.970134 5502.422723 49288.04638 12909.45748 2260.192239 14246.60633 9254.347075 23887.48399 2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE 3209.543203 1912.722551 3696.274997 3171.658163 1640.540954 5346.829579 6086.98532 2470.342072 3724.311487 1000.783072 1080.76789 4.07813e-08 273.7376299 4.07813e-08 4.07813e-08 1794.745093 4.07813e-08 114.056554 3054.805193 3166.687177 3599.161799 11452.56021 4195.582291 7397.483251 3341.961783 12404.50991 5645.746651 51.76003617 252.8118156 1033.65498 215.928728 534.9874541 775.3997871 304.5348891 81.01209984 1108.774321 13886.16568 5097.706777 4344.104269 2926.294345 11845.44443 2620.805684 6388.674477 10306.88406 6006.991831 2675.104849 4132.17462 5155.67525 3653.124268 2832.769722 1126.574646 3851.687942 1266.930402 5004.55169 Phenethylamine glucuronide 108999.7987 179987.3864 120919.43 222123.3586 181262.3913 139869.4011 182642.7563 345443.2834 214611.8549 839.6164984 106.3424065 3048.984293 785.3038174 85.8214611 400.6879163 1003.237626 26.36429115 255.864372 93997.05556 24745.64415 105452.791 19489.6977 24969.25154 27898.5534 60869.08598 8550.848018 72529.33393 23526.44815 8869.139121 11218.67931 26052.93528 12467.18887 4515.447848 7955.045687 15052.99374 8027.057221 200928.9524 99279.74529 141859.2728 166390.2118 146145.5527 86420.90484 126336.3106 68698.10101 29536.58305 198405.8067 187108.3688 308653.3239 414543.219 475400.9439 6031.635505 452228.478 10830.71891 365680.2748 Phenylephrine 3-O-sulfate 339.0181162 14890.80396 636.9567154 1440.142159 4.07813e-08 767.2767374 8956.146794 5056.962138 934.3529287 151318.2955 141979.1218 78109.12057 150174.7385 73624.42811 45439.23434 55995.9455 25331.00495 107533.0356 534.4165249 199.4922152 134.6757877 152.9123644 309.563915 204.4531462 330.7902447 251.7948117 104.681059 119314.7596 95038.45145 140476.4283 83251.00235 141714.7439 207208.8504 189247.0137 50490.12659 74151.99843 4621.398128 229.6551004 265.6781177 151.8235862 383.7187625 157.7342835 4.07813e-08 527.2354687 160.9613632 59.25005035 436.1111726 429.826535 5310.311798 13178.34165 154732.5362 3263.725368 133185.2319 5608.185684 Zeanic acid 4626.118789 54747.02707 8209.77457 6855.808441 3824.852909 2685.019425 6266.141646 7608.166207 6871.619778 25319.99379 21566.83732 11061.43776 33029.17636 10486.55129 7763.228177 2950.39924 4595.142282 12522.31404 3292.212177 3662.920713 3224.572576 5998.059725 148.4808947 611.377732 4359.050629 1549.612861 826.0433797 3438.146165 12622.65226 17301.40222 17641.33923 9112.967764 5123.487204 28625.96292 5300.796106 27586.11544 16868.08144 2278.995389 3272.910525 750.5212982 3050.748696 3582.473057 334.0995249 1676.490585 3692.509256 1665.943035 7298.029265 4158.10423 7361.355382 14623.2882 13472.81776 4022.929077 14162.31413 4059.965116 Hydroxylated N-acetyl desmethyl frovatriptan 6193.166373 5290.104367 2846.675658 25746.62941 5915.372941 2596.093706 4218.266744 4896.819736 1094.798878 1119.213299 830.0676814 1939.772296 1075.879027 1955.881451 823.1349532 679.3480165 407.4301416 1141.948509 119220.3217 4926.943727 225121.8555 24434.96809 6226.219634 18848.31227 4654.951527 1812.306842 2739.166537 1468.881272 1076.633152 1574.739417 1626.553528 1426.635759 1951.57898 1504.225885 727.4736103 1156.222513 32120.35782 2713.769576 1715.428309 2291.938713 20554.95651 5435.487504 18295.54628 3409.869899 2356.86952 2812.677104 2550.981731 3227.761128 3437.557845 5361.929821 1734.273902 7826.79744 1510.394031 1757.545199 Trandolapril-d5 Diketopiperazine 16920.16027 11352.2098 16832.8249 26086.35115 7165.68429 12840.40986 11602.27029 7020.593026 4194.829899 2130.57293 1859.601138 1666.179037 2400.376764 1788.09047 1956.316301 655.2424834 1586.255807 1958.653235 6419.93944 8841.415587 8338.082524 27760.0938 7268.66634 8007.630948 16479.20822 7872.434273 8888.44299 2220.775178 2246.092609 2878.074331 2183.026589 2632.600561 2341.120445 2304.3297 1484.120048 1474.915274 134228.7384 7963.341458 11028.49685 9306.167253 7345.903791 7460.022263 7306.820237 8651.358849 13054.14079 8536.67523 5873.611826 8524.302311 12805.21887 18825.35309 2926.363529 7473.354688 2313.538768 6188.406266 Metconazole 4.07813e-08 1341.277184 0.096181002 172.9526106 4.07813e-08 7468.890071 16525.33038 116.261635 232.3031423 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113570.8455 4.07813e-08 4.07813e-08 4.07813e-08 0.207813019 215.6612626 4.07813e-08 81.23825626 196.2069912 1582.693662 1405.692893 128.6803692 493.6086723 4.07813e-08 741.2391324 104.3964854 4.07813e-08 4.07813e-08 18073.26821 4.07813e-08 4.07813e-08 4.07813e-08 106.8287605 324.1260276 4.07813e-08 4.07813e-08 314.6462308 3.294354487 865.3209743 102.7609034 96.52026777 232.2687275 2.997467119 0.694549556 4.07813e-08 4.07813e-08 13351.96959 4.07813e-08 4.07813e-08 4.07813e-08 D-Urobilinogen 48094.27581 22333.88919 27741.08347 43855.94452 50205.90883 15726.8745 44674.75581 32289.47264 7961.926651 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29087.91994 42775.49807 37021.41173 40326.49892 113147.5872 72038.20508 54017.58793 35744.7358 71688.08004 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151.8512135 240.5579914 160.4888701 4.07813e-08 4.07813e-08 18859.92889 26250.39793 23172.6055 50830.73383 57690.05797 63734.40404 64062.30501 31326.14092 43459.97082 25853.77525 20006.83059 28574.25852 21110.24765 18380.93505 344.680951 40005.47305 275.2069402 33382.09732 5,8,12-trihydroxy-9-octadecenoic acid 40448.75034 33863.81706 41066.64242 35110.90377 28028.3556 25837.2906 21164.10565 26733.71964 29379.84169 12701.70326 27592.57525 20906.29072 12826.9948 27531.60838 26357.47138 142518.3438 130588.0944 25415.39972 53473.0453 24297.88966 41798.98291 26706.3607 44226.81475 56965.31178 28419.00181 31261.53319 23009.77992 53579.02362 13059.63825 22990.929 10777.58397 12035.19657 23336.05479 13158.22864 100750.7689 16115.3931 21597.42487 30184.26468 32014.41569 39226.5227 29207.78574 34539.78139 49168.09121 31944.55744 33155.85795 20678.47857 20731.95424 26656.9036 32879.86197 27101.18819 7006.583488 36214.80965 11666.40095 32778.64076 N-(1-Deoxy-1-fructosyl)threonine 31788.50533 74184.64244 33759.61224 57568.14482 49443.5385 32593.08848 69540.54035 51880.62705 32459.97438 206756.2605 148914.9498 108685.3569 190281.3827 103445.886 137560.8392 67602.19956 49468.05568 94722.65134 36295.41617 21741.68809 20890.11187 27344.93752 25352.52651 19618.95243 23304.50042 16280.69907 25553.12002 167689.987 134308.2589 101758.749 96681.50592 222208.906 149242.9472 169421.2178 48686.82792 76734.13398 49225.33419 32741.3112 42577.05291 36144.35391 39370.05384 35080.87051 23471.80267 17707.69117 11936.69145 16975.98984 16115.90935 49738.47638 70196.64415 102953.8629 173872.5152 57653.33044 118423.2828 62651.33764 Homoglutamine 79935.42854 81981.14043 56269.07754 73541.38914 94088.98326 44633.05972 77354.18458 81385.70917 87025.38701 7596.983928 10591.24936 7402.580932 10182.95468 7051.81878 7668.580699 6648.317545 22048.60488 7752.036237 80646.60018 74615.47234 150764.834 64825.63442 184010.0756 50550.22802 150086.0101 29737.68372 78386.98299 19981.06803 7071.692307 28009.32898 9133.790076 31171.87159 12729.64219 17109.50031 15151.40339 12103.46258 90921.97631 84422.36333 89934.62653 150673.2261 43579.83345 108720.4001 48531.8578 23252.53632 51248.13089 32635.79625 60216.35724 30482.44439 88039.4261 145638.9474 12235.22427 52291.57007 22218.17159 35209.49734 2,6-Piperidinedicarboxylic acid 73552.44497 109340.6344 81591.68794 109119.5523 101253.7418 59527.45121 101931.3592 83814.37832 71674.99664 94942.04525 88889.84354 78590.30815 102321.1661 71181.5448 77119.31718 57542.36306 46236.62099 78956.06369 61477.82661 64397.70162 48564.92622 48273.65817 47573.68862 52689.88531 52370.611 56296.74558 56034.28396 92833.35484 93601.52282 85613.91031 68835.02989 126118.3177 112633.393 106469.3003 52643.79667 78293.69546 88284.73573 55520.24071 50823.13638 48024.37766 52009.63671 50421.08563 43505.51678 66333.06458 48420.3431 57024.42943 60478.11581 52882.3983 72578.99688 91915.54785 120124.986 73633.88183 98181.48237 75748.32465 Deoxyadenosine 5926.425421 56188.42491 8163.018981 8942.137106 13682.1385 5191.391718 17839.70308 8529.684229 4210.683973 94457.10316 65854.58319 52390.67488 98867.12719 49924.46932 58637.43263 29046.52053 28246.64718 46081.94999 11860.62999 9295.213792 10092.69874 8437.770116 10409.24475 5279.293621 19564.01894 7985.33338 5447.005307 59966.77901 76433.94523 48944.6725 53761.80723 107354.9961 73637.91754 93375.62305 32621.29582 49375.69823 31365.44277 10601.66288 7409.056631 9290.041107 6616.87284 9853.460063 3544.43701 9375.83593 12270.0164 9794.692109 10809.87799 4989.172128 12259.74838 15096.3874 86849.65679 10349.20368 61414.30234 23376.66211 Pyroglutamylvaline 13015.59741 10912.68274 17514.22647 11871.24446 14238.09015 20140.96306 17833.69611 15509.5331 12021.738 2986.913867 2455.687173 2981.036763 3160.892566 2399.594851 2634.478785 1888.399768 1515.028957 3081.055463 11684.97202 15338.79381 13105.59634 12857.8357 22068.5228 20511.21721 14621.3777 16418.88669 20662.08675 2809.923441 2755.385095 2859.36317 2539.200786 2954.714249 2539.918093 2975.285646 2742.316352 1763.92416 12521.75016 16446.79528 13412.47139 15540.11894 14270.11399 18377.16368 22887.226 20444.88901 17156.38712 20859.84174 13696.14881 18866.19009 15153.82809 13831.36582 3661.869592 15480.94349 3090.751796 17350.05918 N-(5-Methyl-3-oxohexyl)alanine 11017.58682 7557.09495 19368.89048 15453.23898 21412.1428 15999.00505 15222.01476 19212.0483 14269.94467 146.5153246 299.9419637 3074.033664 4.07813e-08 2783.855255 440.100693 2221.668118 169.5791193 325.8979106 52862.78237 31056.95608 27241.37719 33501.7535 41287.91565 38576.17133 41159.92657 55463.75817 51966.90751 1253.877277 882.0757788 1905.93848 1111.69469 1288.786831 1246.733407 1433.548973 1335.276323 1766.853507 33316.68559 21105.66036 24699.67212 36061.74551 34898.18325 39927.35398 37413.56818 61214.30199 29487.98955 31556.74764 20912.72291 31659.18384 30037.17021 20342.64098 822.1002363 35621.26371 1330.554878 27779.99914 LTB4 dimethyl amide 4.07813e-08 4047.932042 3444.640375 923.2583054 2821.758655 1534.595231 1766.438622 3331.694603 1531.586648 2548.229193 5390.631903 5357.534945 2505.930738 7481.3226 3179.894306 4247.488216 4220.566701 2767.688693 871.4796219 6894.455244 996.7093516 374.5396456 9634.395635 3379.409711 3615.887901 819.4062488 4.07813e-08 9898.212238 2044.388359 8107.156668 813.3619925 5620.825266 2033.06399 4194.565908 22500.232 5791.865605 4.07813e-08 2563.813915 4.07813e-08 3162.186599 1963.732324 634.1273819 4953.836868 4.07813e-08 5655.206636 18610.50926 594.1511448 5102.553205 4147.129944 6625.018507 1417.186814 5904.512976 9098.987869 985.7596807 Isoleucyl-Isoleucine 314847.3652 387379.9582 204722.0436 396184.7629 157148.0705 209529.4494 315837.922 367980.3957 209444.8669 81546.74775 84795.28238 77370.41061 71229.66934 53665.53097 93855.06787 81468.79708 119120.085 77106.45049 42262.75793 40678.71395 167802.931 56495.445 61713.18252 52057.90459 83305.69874 75644.67803 66451.16105 63689.69069 94639.51289 79928.73725 89647.16658 118194.738 89037.68014 83871.90797 96872.01504 69589.23346 147481.9298 103401.3874 156520.4204 120680.7014 44017.73024 36328.77818 55693.71931 65011.1666 52556.59758 51806.86401 90298.50843 71729.7601 166225.5192 490919.4577 61981.92117 66510.27978 93658.65773 58835.90964 11-Hydroxy-9-tridecenoic acid 23643.28957 24746.14411 24624.24179 24286.13354 23256.12916 18413.20624 18854.09428 22585.80506 22928.67248 15452.40808 14788.95057 13967.42813 14723.25844 14832.22101 12000.8614 20921.73431 13009.59774 17497.25719 14328.90944 14688.53692 14445.38369 14163.52419 12890.27083 13387.71356 17490.33123 20466.92543 17253.10463 12488.89181 15074.54439 18404.73435 16968.04772 13493.1064 17081.14416 13964.02726 17155.46062 17902.50826 18270.93819 15256.82543 14794.62733 13097.80348 14518.05896 15071.28168 16303.42073 19344.08735 16920.37511 18799.04564 15742.38571 14328.55264 18259.68487 17564.32976 12659.66727 17499.77135 18737.7806 21610.53555 12-amino-dodecanoic acid 26969.3434 26974.714 27880.53548 25419.2262 26740.65553 23089.10746 24600.52509 24505.04173 28395.76136 17069.11771 16949.69845 17701.65534 17548.26647 19789.17584 15077.71523 23884.5846 17027.13032 17930.25311 18611.63074 17769.87166 16509.23934 17556.32841 16353.02548 18617.2302 18640.43043 20595.78986 20599.93133 16719.75012 20792.30733 19956.42954 21731.10563 17826.52449 17352.16967 15993.49763 35913.35023 21603.96714 21247.18388 18583.41005 18655.06977 16631.00946 16218.94636 16544.77795 18721.99749 21156.29475 19031.08704 22769.76093 20165.98346 18815.02859 19755.92874 19621.8639 14882.18097 20957.8468 21382.87264 23522.29163 Floionolic acid 391433.236 345437.6983 505924.0606 621684.1753 240143.0719 170473.7141 85448.88402 164636.4857 313372.9089 1074.497398 1211.756765 669.1903045 700.7206412 95.52038679 109.3649021 1046.628837 92.76965752 162.2251991 353283.0557 34439.4099 347782.7613 112800.2452 343045.2531 429063.4356 106497.4366 48004.79518 33945.58641 445.8450011 244.1004224 893.9323386 956.684445 446.5800139 1229.13515 475.8076389 762.5688937 1022.142397 89823.66379 125020.1128 270431.3341 186008.6398 97070.92894 229796.8704 440163.4547 35242.05275 216075.1392 3302.240329 9340.275548 55031.76223 208495.729 192199.3553 556.5962477 270758.1878 980.6064786 460833.217 gamma-Glutamyl-beta-aminopropiononitrile 25853.39936 28273.88823 21170.4172 20884.02947 22393.82944 20713.8836 23599.90815 26862.93717 21822.85833 29113.29 22773.00395 25980.69295 31045.1932 18840.19269 26071.37748 12565.75036 9787.375523 21412.17356 85823.41387 64090.61147 63113.8597 68954.65517 58880.26503 73291.69995 74096.20382 89830.57413 65364.94234 33877.92295 29016.51035 21782.25916 21361.43238 39981.84656 28753.93824 40256.83159 13703.42143 19110.20841 64547.40265 45706.11097 42457.59443 64585.72379 65686.10383 56587.69929 59764.80141 75553.74562 127565.8179 34871.4298 30643.71073 31959.31406 29258.48311 30939.68338 46350.06314 29470.82554 24036.24801 30713.75014 trans-4-Hydroxycyclohexylacetic acid 16786.13002 12846.99931 24092.82168 17526.23878 49821.62421 12992.61872 30458.51316 46821.52009 41960.10613 662.3751792 777.0656361 1866.470839 1624.790777 1611.853321 613.0460983 463.5597651 267.4199228 372.9645436 54234.59412 53884.26431 35924.7705 49180.3148 119272.7962 59908.16126 58517.67165 79710.16993 118699.4757 837.5247571 657.309902 826.2945115 579.9977605 1137.117421 1427.220786 1064.712111 629.6725755 1315.423371 25376.23654 37160.69145 16891.62764 28219.38704 68954.17752 96039.92637 67437.72438 80060.90827 46937.32444 31138.16684 14917.71936 23438.13836 8895.685248 19392.56242 1410.020185 26463.65847 1149.403381 63306.57575 3-hydroxy-hexadecanoic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2549.316818 4.07813e-08 4.07813e-08 286.3817906 7025.751634 6577.983257 5314.833841 5710.355382 3608.500739 4913.922048 33640.50493 14905.60742 7736.817403 2511.591458 1614.80523 249.8149479 4.07813e-08 4.07813e-08 3848.599974 4.07813e-08 5414.453255 4.07813e-08 3500.409718 3400.173152 8773.745806 4342.213064 3008.700009 6386.588402 2608.479622 14882.45103 6156.110822 4.07813e-08 315.870571 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2089.432426 5146.136867 4.07813e-08 358.6254118 3344.713472 422.4458986 4.07813e-08 4.07813e-08 1661.018549 124.5791359 8682.0588 4.07813e-08 Methionyl-Proline 94946.91787 153608.1999 58959.8161 91859.72454 61959.48033 47528.90129 117136.545 144317.2052 185967.7622 8998.627156 7098.848062 5822.746771 8746.289468 3951.770165 6296.519834 1848.559745 2494.487494 6902.723548 10880.2002 18192.34132 32630.80542 11687.64142 36317.25493 23800.98673 20461.43742 12323.00437 30075.61931 6546.993104 7186.112039 3262.534278 5469.902589 7354.441983 5819.356875 8689.615563 2059.417038 2318.266488 15524.48167 30242.0363 45234.99495 43290.99778 20537.09324 21124.2174 24454.05937 13845.22727 16473.59619 18648.21149 36674.14776 27554.93811 69271.72143 98204.62646 8388.799625 27824.63865 7774.489456 22435.42412 3,4,5-trihydroxy-6-(2-methoxybenzoyloxy)oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 40.26238596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6573.582215 32979.32949 86.91712293 3184.947397 228.560527 9929.812469 7408.590876 82251.58811 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46132.99094 570.4713035 58733.83496 4421.846212 68922.91123 21783.72192 7519.035023 44411.26059 15773.97021 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.912471253 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22496.57031 4.07813e-08 32750.48204 4.07813e-08 Leucyl-Valine 386459.8695 532857.6163 222644.1823 377136.2737 192987.2951 245790.5229 497195.616 467146.3961 615969.9227 24113.65122 23338.60777 26150.51682 25265.13652 11655.78661 36657.04238 21416.07191 17372.21359 13785.28299 55562.25514 60891.15419 141924.9648 49965.97889 76914.916 57008.32216 77806.70183 59134.48314 58194.92599 24702.676 16525.86263 10022.30712 22297.86236 11348.24216 17530.43278 24956.41243 38830.8575 16546.25309 117802.2488 137578.8079 152990.1338 126605.1348 72221.76431 57886.20918 59492.07197 50081.00246 57656.87276 55936.07168 151826.5682 89857.29664 223567.4609 317964.3125 11554.65392 96723.71585 23891.33229 84956.77772 4,5-Dihydrovomifoliol 6499.016229 6629.986816 6179.521869 6713.267354 4744.318253 5301.728631 8911.469272 6376.810954 5251.340689 13470.68146 12154.57597 7201.613862 11873.89556 6823.012133 9000.289547 6340.451733 8927.24927 14462.2338 3503.718324 2894.404947 3463.253954 4916.637415 2638.142334 2970.467546 5364.11156 6676.025701 3764.345969 13803.9526 11792.90293 8339.541611 10737.82322 16073.06902 12604.69674 14246.86205 6343.29413 6755.476476 6863.857076 4569.907073 4832.925431 3579.189079 4125.892594 3462.200512 3705.518601 6854.747759 5017.83536 4204.00085 3641.066639 5686.084967 4751.30499 5788.930064 17685.56587 4331.329457 16341.19626 6953.815904 Scytalone 122768.4615 205307.1522 171557.0388 256832.7329 180674.1037 153360.0642 244601.2557 230394.7647 178755.0807 47799.56244 44778.07507 35632.35417 43322.24625 35228.95749 34895.8882 33802.16071 38567.64751 50571.62775 25107.95232 28259.48366 36092.96291 40493.71254 16885.02737 11101.05343 32233.77197 22586.56403 38947.66631 30918.37104 35610.40818 54206.8492 47945.32518 43400.6158 39756.87129 48393.64594 38505.06917 40602.44945 91253.22935 56715.50733 65445.29569 28566.17151 37065.04934 32073.49292 11237.96057 28067.15615 85534.79622 18550.44745 27886.29011 61847.73458 97369.07964 88274.96311 37802.42039 63525.51132 45204.92453 93868.68811 (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1555.282912 30550.9735 146.3181573 1043.546822 151.2014884 1144.948731 8338.737888 65344.60684 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33759.26704 408.7890272 6657.51541 2580.297749 44249.0291 13385.29795 585.4745397 23720.13105 375.9753049 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2270.305605 4.07813e-08 13492.00561 4.07813e-08 5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone 111067.9968 41853.11901 74383.88919 112869.3651 81676.29852 59773.22136 58737.10174 52332.08548 32676.16516 13.84825089 59.2358761 0.395014867 428.8846987 90.91224228 4.07813e-08 2.655918924 1.671847824 163.8419674 204963.0225 183248.8516 107771.5153 157618.4292 152266.1463 134902.9253 113220.9444 176553.3772 123821.4007 72.91657695 0.12361543 4.07813e-08 58.12462449 4.07813e-08 4.07813e-08 76.88948521 4.07813e-08 16.76117323 89190.00068 103161.7113 80001.7426 89675.84416 167315.1074 155669.3644 124214.6113 176308.9469 138883.7636 57807.3232 68186.74663 82160.25461 62828.44822 45183.79098 57.73704871 124315.0951 4.07813e-08 79257.6567 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone 11890.35134 6817.859485 12108.37358 11550.08936 14015.75501 12150.70898 12346.39924 13143.40442 10264.76232 1203.033345 1086.060356 1164.72205 1199.04403 1155.995883 794.5589194 1721.386846 1101.416039 1338.927757 19209.91247 20388.95499 4071.179877 10948.46552 9828.999241 14868.64765 12975.33385 16364.87364 17181.02004 1016.638239 1256.741792 1212.533005 887.6710247 753.5925416 1244.895357 1063.586472 1559.963553 1364.03628 11593.86459 19004.07921 9107.136645 12364.14594 13888.72815 14501.58451 15269.19075 17954.22033 12846.63868 16266.4945 13449.16907 16082.03779 13159.41816 5651.035414 1236.114715 15091.85621 1029.611658 23486.14215 Threoninyl-Glycine 769033.2947 868675.0356 656181.7298 636613.5691 541024.3687 583171.9209 779492.2135 1264792.022 1639186.524 119377.0822 126556.6245 180128.6783 120942.9654 150756.9209 135625.2231 148109.8045 239509.916 367773.5601 411773.0384 455504.2042 477092.692 241706.4893 362964.2754 627626.727 478592.4872 444427.7342 586908.6545 321696.4795 139808.1957 179645.8931 340908.6436 263569.1224 158080.7838 82973.90253 309451.579 259643.2479 320305.8671 360507.4244 494309.7183 514680.9563 418015.7413 279405.0453 603295.351 539432.8248 209312.4337 744336.091 404185.1134 722523.8786 534590.845 684832.7164 183767.9226 648935.9102 210682.2373 570770.1968 Asymmetric dimethylarginine 202473.7619 131641.6615 139590.6689 153211.7504 156883.6946 143888.7945 101403.0916 223308.134 231194.2423 80146.60684 72715.91335 69232.92283 82563.91647 109587.7012 88006.9582 68196.78834 146245.4408 165052.1428 121741.2899 117663.3915 139424.6238 103199.7294 86933.06714 96053.4028 204276.9128 117408.009 108892.3045 166442.6567 122062.0207 247915.7623 155125.5911 249092.7269 104942.2616 146830.528 99757.04599 171757.4995 388225.5562 116490.8177 192425.175 148586.8926 106823.6641 86337.12576 90276.62959 156321.5291 40257.52168 55747.72952 82889.75436 265571.3261 240848.1209 232291.9868 171215.4385 206338.9209 157998.7809 134514.3295 1-hydroxyhexanoylglycine 6123.217763 18871.33779 13650.31317 30223.85973 37377.41068 3935.546371 10279.01228 3681.363133 816.8294107 15944.26412 24128.08848 45875.3447 15380.39398 34481.89703 39606.09346 25909.16173 4504.543925 9212.295699 62300.162 29425.5362 62786.30089 73315.47197 15569.52655 22601.471 84942.15501 30018.4231 14657.99089 27592.43768 34272.52131 52791.4305 25480.7208 60003.58319 77664.41131 48206.17977 21663.70688 34874.68828 29654.70322 35048.98649 35883.59831 14612.87073 73732.29065 42631.07398 21720.7853 31308.49688 41120.64435 5877.965637 5810.983253 7026.780127 79275.01027 41341.20151 55860.73075 84554.71567 47506.69894 8101.873249 N2-Acetyl-L-aminoadipate semialdehyde 17429.13537 37965.1791 15868.28567 32163.65907 22795.35797 20128.32321 12658.34541 14338.53909 31363.85865 12735.4871 13413.56146 13021.85963 13936.05523 12393.48359 7514.030025 9052.223743 8691.295378 8469.889953 36968.63025 30153.75085 37813.35527 29580.14921 21068.53241 8822.364104 17372.88244 40504.30834 11396.8795 8612.209202 12238.01677 17901.77531 9965.185127 17439.09735 14352.01144 13380.25083 7800.03267 11720.4862 36338.93511 38253.47418 45216.63435 54034.25855 24952.40646 33527.35409 8683.735534 39140.96637 63501.70713 16515.36599 24441.16406 30969.69197 30571.11959 33367.11182 14123.3364 30126.85009 14180.4085 11766.90517 Histidinyl-Arginine 5075.103011 28890.00235 2659.970358 7186.502222 4360.001398 9164.085408 6470.565855 10756.73939 4673.215607 159834.9178 143911.0643 89285.13914 180866.6567 90289.76607 91608.24579 70183.06098 114028.6431 114619.0953 1865.624345 3113.654302 2180.092974 2962.830771 3161.349117 1281.896687 2132.66345 2250.841284 1397.021787 108079.3343 120464.9205 136818.0101 96443.59592 165533.3979 100621.9518 115541.3039 65781.6806 114342.9812 5616.127834 2053.625816 3030.058456 2812.96897 2470.598985 3388.454416 1656.74972 1684.403586 1575.291362 347.4966835 1579.468775 2308.634994 8320.47996 25178.84497 160304.832 6314.503509 137859.1545 5794.822049 L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid 66417.26585 52747.28494 65465.56717 64749.70049 66698.52557 32869.3196 50143.96761 56581.43986 51564.1429 28841.95619 29716.62156 31854.93254 31416.65781 26724.98596 23398.76522 22027.59824 9059.981159 22875.26458 138499.8976 119396.6601 105809.9197 85629.92113 94410.78687 109834.1241 96377.16119 117310.2338 104574.7371 49926.03922 37816.23144 28951.06007 44240.67893 33945.13268 38145.9605 43689.99253 22104.39874 28006.94694 95740.07179 105668.8634 96265.73257 111473.1453 108291.5395 109208.1036 112774.3709 123841.317 136466.7765 81378.19936 66196.27279 88343.73275 81838.61121 84370.79078 44678.94666 99367.20808 41235.47635 98303.13783 1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-cyclopenta[b]pyridin-7-one 21051.70809 21451.66808 14971.5698 27710.64711 12758.97976 8012.79688 12736.74452 17149.91711 10723.26611 15571.79345 6448.487136 18976.73323 14076.51165 16786.80315 14547.16807 4446.848341 7713.667983 15153.91113 6053.955035 6161.766565 12906.75895 9296.053535 7755.638193 4173.054412 12990.13222 6707.373531 6719.253715 6278.693466 17149.9354 3911.412337 15964.5782 3354.077374 7164.762199 14580.36187 6585.176121 10419.01946 23609.64325 5776.820137 10172.80113 7259.614627 3777.439318 4878.779505 3849.360061 5779.744086 4185.684503 3444.724324 4807.29584 8178.495777 14345.01993 19590.97429 8829.945179 6559.09788 9605.589775 7861.317084 Polyethylene, oxidized 10226.44374 21292.83401 7411.165759 7177.454683 33448.77594 9269.348713 18049.89829 4477.525868 4470.308813 4521.840335 21975.64456 3175.01108 4043.499625 4341.368763 44560.4099 5413.230585 1997.683788 2701.390605 5336.357622 6706.94461 5845.366048 4533.70073 5594.608621 5149.843121 4968.66741 5929.350289 6714.637463 1218.774391 1691.689548 2480.639823 1698.218379 1730.653884 2746.182368 2277.747048 1861.155571 2327.045001 3390.140952 3971.455123 3605.537364 4488.789976 4271.487178 4727.417791 5488.673062 5765.1495 6343.371255 5316.981664 6324.87868 5370.463839 4277.415791 3314.294518 2069.22588 5347.349035 2730.479937 7833.621991 N-Carboxyacetyl-D-phenylalanine 4.07813e-08 1929.926981 445.7486514 180.8368725 86.21494846 71.21920144 1111.479765 871.9015652 195.7962977 12211.80356 9450.664247 3814.203455 12495.93367 2469.562073 8054.510033 1922.91191 7047.077034 13755.50193 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11602.31326 11786.01172 3634.981238 10057.92473 12109.12484 7070.592772 14830.84026 2970.332332 3101.922578 4.07813e-08 67.64992321 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 161.7996794 82.17507769 730.4792925 2260.551316 17461.67112 264.237347 11413.88678 896.4002124 13-Nor-6-eremophilene-8,11-dione 21082.26135 17576.23729 27641.98855 23328.6073 29325.81015 13931.40514 15755.27632 44379.5661 33615.13435 5501.629965 5590.174208 4745.625637 5482.368203 5356.268216 4445.483879 5902.139074 4919.926764 5066.666677 31745.00063 21226.7729 31145.24953 26054.37926 13279.02265 13580.83698 14655.43301 31064.98316 50656.02747 4715.176269 5422.269437 6636.884993 5315.728433 5241.600057 5229.620007 4993.786939 5645.982475 5972.626295 16191.21408 21214.48646 21648.03662 21054.23777 25517.1643 14993.44634 12359.65394 31556.16473 52891.96699 11902.58792 10086.40541 14261.18277 22918.13081 15815.4575 5905.459782 19958.25491 6952.869252 16473.67069 16,16-dimethyl-6-keto Prostaglandin E1 18036.16366 6877.357497 14302.38093 19952.94141 35920.01069 28314.5016 12219.1557 20349.99398 14865.61661 529.3628825 3525.178209 978.9003252 736.0586998 3464.843416 5672.392413 207.0756793 413.3825431 27346.12145 25482.94582 26719.23947 16268.40619 19709.79973 32793.85724 25020.79671 16926.66646 40093.13911 120929.0507 90.31439792 706.0044887 1353.268359 447.988221 3107.978302 407.5698343 374.5938281 4020.400332 1941.29647 11214.55829 22489.83221 14012.50203 21489.91674 24741.03668 23371.14372 19319.74687 34779.26691 59639.03334 20714.42045 15033.88635 18583.5641 7718.860836 5176.129336 2434.122181 12841.70744 653.5580833 11327.42376 Allantoin 4.07813e-08 12036.97516 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76979.23517 83598.98071 49012.91863 94142.56395 58539.07221 36479.57087 51097.63864 29603.32936 51613.0214 4.07813e-08 4.07813e-08 1680.951843 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31561.67629 52587.83699 76952.53252 53924.35458 46661.96715 44303.88966 35701.4416 58887.33562 123718.7462 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 404.199162 45288.35201 4.07813e-08 48917.10301 3008.608208 13,14-dihydroxy-octadecanoic acid 21946.64057 37814.72221 34192.8677 34183.50748 56664.80625 39921.12899 14139.0428 41552.22119 29760.58798 14358.30167 17716.47306 12930.82712 17328.14842 14929.69995 17335.2355 53159.31948 38591.26174 27819.80181 37998.43175 53417.5681 43756.96936 30193.75299 73685.96135 48082.94315 33632.51208 311717.0971 48652.22277 17323.03514 10989.66601 30008.55641 12892.33116 29407.05446 27630.16151 11576.26858 46729.32849 22847.44506 23726.66432 46419.39001 35899.44406 60344.79202 43444.61355 48414.95644 42566.63878 316746.0758 30160.53706 11837.32852 26082.49316 37201.77336 30014.4682 27057.05404 15454.97742 42152.46742 18509.88269 22131.65245 5beta-Chola-3,8(14),11-trien-24-oic Acid 3298.034881 8456.980804 20714.22208 8780.957758 11218.13655 27481.07276 10804.25572 9408.17873 7611.244862 725.2177807 287.8754367 115.2867532 440.1123619 4.07813e-08 281.9412443 202.9972049 4.07813e-08 4.07813e-08 30290.69303 18926.23746 41327.02607 28636.20348 36687.56293 37223.88789 26613.80627 12685.91997 13365.90495 4.07813e-08 4.07813e-08 201.4775227 9091.298134 327.1052297 90.24075002 34809.81179 188.6007582 2353.307439 4512.29764 8082.52478 20141.07042 28428.73027 13848.18736 35372.62388 30035.61203 14369.89244 25454.10594 74138.58573 38647.18922 21685.268 13173.448 7617.226991 1571.085048 23481.0885 597.8956071 17691.34462 (E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol 10085.99777 6875.935344 17425.07039 7738.745488 15491.65526 13884.19112 14091.11043 19291.92515 12042.85224 4.07813e-08 1.968156798 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 62.55621585 4.07813e-08 73.11695439 63793.77312 39433.91055 40945.66434 41713.38798 49192.30679 46490.85248 46461.70644 74665.22002 65924.9077 54.40009957 4.07813e-08 4.07813e-08 40.78829781 4.07813e-08 4.07813e-08 4.07813e-08 1.858505703 4.07813e-08 36768.82314 29576.93744 35601.11781 41443.13836 43865.17381 42496.79627 45521.07945 74904.32179 52928.83169 41764.90484 27013.471 27385.3627 31637.10784 26918.88202 4.07813e-08 38340.26229 4.07813e-08 24843.40286 Ciprofloxacin 41506.57678 52351.75559 11509.54725 773.8596608 1649.960248 11265.50345 6048.493122 4070.346858 11915.59645 9857.977347 10306.1087 675.0069382 9568.373431 118.4707159 4879.624557 133.2695212 4404.339282 611.5755558 755.609227 715.9787346 718.585963 1945.29514 718.0345626 584.7920578 1266.90641 2169.211734 2521.784171 1.030854816 157.4725588 443.3217706 134.7286134 4843.612538 3042.677268 10.70650026 773.1291084 0.142840126 441.3576076 3150.750514 1054.631928 1097.079305 821.6265033 1744.161074 1410.238879 3832.102723 1217.953465 2982.602038 6043.530959 4200.836658 1010.375603 811.5586015 563.6073419 276.8650571 16.47792204 3940.419168 2E,4E,8Z,10E-dodecatetraenoic acid 29282.42243 28367.08273 18669.64579 26356.0806 16827.92847 11763.40704 18260.97094 19452.91247 27257.87506 12479.60321 11038.30244 9053.342073 11665.98726 7990.229133 8803.008878 7307.316098 7159.520399 9696.439212 26120.65922 9571.224115 15822.82989 13828.87219 6639.251735 5102.659469 12579.67449 8013.661215 5809.51 10654.61959 11258.48906 10316.38294 9974.222395 14193.96544 12720.1486 12699.57978 8197.030103 8658.345882 36055.03289 16415.05354 10796.17582 8693.350002 10231.04541 12202.94232 5404.880714 5999.501882 10832.96336 5643.693124 9119.080942 16190.59145 19951.17139 25947.23789 24649.31284 21025.73572 16336.8195 15317.55208 6-Tridecynoic acid 24101.53115 5514.524379 16006.08543 9873.374825 11544.22663 32131.44033 42679.80742 13301.81094 26533.99043 1444.12606 1575.216324 1038.945842 1904.365606 1651.767365 1151.052333 2109.283229 1704.739646 2129.464732 3940.958882 3697.679219 4106.522741 7954.613178 5699.40363 6428.786252 6091.902413 3433.471447 3937.851386 2344.492723 2509.00906 1670.443328 2118.528746 2384.955872 2109.581906 2064.700673 1692.894047 1745.466627 15361.16429 8571.406001 13291.53606 5775.652738 6614.691201 6949.70061 7258.742204 5762.030618 2415.205495 6063.501151 11987.75796 19869.58684 15772.92837 9627.768545 9088.341222 14341.31213 11777.4178 23461.62384 1-Heptadecanoylglycerophosphoethanolamine 25872.22093 79045.99927 15901.60232 23781.0489 24038.09568 15718.81888 73693.30301 29546.69718 26545.46445 5192.690363 3439.021527 2346.712894 5998.863067 3464.112237 3298.966764 905.2101001 1646.055374 4543.559401 28943.80705 25203.62093 23381.57467 156332.7068 28659.39064 25082.42001 66753.28564 23263.55205 27229.84612 3314.156782 4301.915799 3628.591572 3336.147595 8696.922816 4403.878635 4053.766335 1604.22203 2609.460871 49342.54458 17884.05573 14989.32224 23690.67354 22706.1741 25934.28669 23369.14121 26431.08567 37422.57169 24412.72503 30951.62742 23553.18383 36325.98782 32936.71023 8018.616186 48679.29238 4954.709075 31248.14496 N-palmitoyl serine 110950.8896 90832.52363 69618.17638 53663.19571 41730.17103 64806.05526 86847.31423 115328.5301 105516.8254 96656.37735 105708.2369 52427.74936 78102.33135 84129.94498 120172.4768 24630.41403 149481.0806 81803.95679 97660.19492 56478.25357 99584.20108 71337.01591 107173.1259 67405.19914 91214.8986 114984.0831 103656.2478 115246.6864 96775.83617 69691.16844 109447.8798 125256.2223 77111.83285 90982.28048 101506.7228 59690.58689 123281.816 101541.671 116444.1512 105885.7126 59260.10149 109109.0195 66005.58965 121221.5971 61559.31869 47303.27144 50544.50057 101233.745 96581.54458 110956.0719 122749.932 83953.91953 83897.61418 67034.80236 5-(12-Nonadecenyl)-1,3-benzenediol 18003.55675 9736.405253 13416.9183 26080.84428 16214.57668 13867.46558 22446.55019 35098.68769 24087.94632 5055.273456 6848.315065 13901.86054 5315.956532 5243.420075 6803.207978 6562.398123 16366.42941 18983.91484 38215.75359 29413.24621 24432.59959 35228.18978 40707.05401 38630.18693 19684.13544 12455.1179 13265.23179 15390.06368 7729.401894 15762.86975 2790.357318 6511.879126 4623.432644 7368.955956 8171.425477 7718.727139 24940.81238 21252.06208 20690.99739 25453.30556 39030.83181 37211.54464 37323.14587 15904.06229 14608.08926 20794.01274 20851.84961 38557.89281 28268.74176 25257.98748 9689.29697 27948.12077 2439.812126 24194.5441 W123 524971.2587 294272.7352 534096.3191 686731.9404 672959.1715 953344.2796 699865.8508 620985.3136 248833.5387 30.58789661 153.0057945 4.07813e-08 35.89833133 4.07813e-08 35.92650877 4.07813e-08 4.07813e-08 43.61017989 395830.4472 584171.9222 206821.8896 253238.394 398558.0717 558659.8499 396575.4386 204676.3547 234891.8773 4.07813e-08 8.987369626 4.07813e-08 2.174038398 32.79204293 9.23387847 4.07813e-08 178.8455321 13.13998425 334016.9967 472244.173 285943.0877 380868.922 526881.8179 449189.3506 730796.3935 254166.3894 115018.9097 845543.0929 234780.9639 543929.3491 372039.4272 197903.8556 41.18278896 447651.7131 0.369296295 1087951.834 Saccharopine 19031.53154 12436.07273 12014.95837 21946.60922 20859.56758 12948.32746 21659.91677 6810.928036 7195.202826 70890.553 63411.15374 51513.22652 81477.45587 45676.39243 38367.77968 28766.0693 18384.4079 60859.33549 23768.13675 15905.896 20692.20834 22485.27417 25129.21311 74142.4363 15636.76295 18184.17845 23134.71415 63122.92953 67989.54675 63430.43477 47339.23127 90730.25273 83215.28334 85900.27242 22430.61138 45897.67939 36863.98589 12905.07602 17835.95102 20404.82331 18607.44428 26681.80154 54708.04399 20761.37242 17470.2968 15214.76532 12674.31996 20106.47781 19340.97688 41775.48446 103082.3091 18431.29612 64038.52277 18121.96187 N-Acetylmannosamine 926466.6789 1801247.668 931213.8093 1317457.184 1335173.898 835391.406 1868904.083 1895083.409 1352258.765 132398.6281 117645.9029 102903.6601 134868.198 105704.559 92295.53119 83000.54306 98465.4925 115049.422 506349.0324 433894.1107 510622.1557 437381.0049 512366.4078 389996.572 602364.7659 268576.4278 490770.9084 99002.51541 111787.663 180891.6746 96362.91249 245476.393 126524.6261 120525.7894 85195.23043 137681.2635 634872.6597 691184.4785 911373.3228 613599.0489 698660.8395 578393.4742 490088.5596 440901.5239 278331.6644 803768.5438 896292.9042 804837.6304 1605106.262 1159057.53 126772.3679 1319346.683 111937.9142 1012154.235 Glutamylalanine 184494.4367 201806.4641 174402.4343 226137.7204 272278.0491 138033.4291 192810.5236 262290.9797 306126.4144 107916.874 120410.6983 97901.79846 118311.473 75990.04425 92372.58089 101362.3642 153844.0267 114924.3689 104048.073 109700.7141 106464.1642 72395.72061 117326.8554 92094.92404 79767.69273 67278.23559 104111.5353 151817.1558 115022.4191 132859.5483 109439.5617 127135.0983 111162.6725 109622.5479 114148.2103 103179.4915 85610.52168 102719.5965 122371.143 144161.4637 101026.7007 109545.8909 91512.49781 74854.1092 51418.3532 152885.5132 91166.50661 153797.1179 208373.4598 240370.4043 100721.0727 184545.5533 152406.2061 161290.9539 Alanyl-Methionine 42449.84425 60073.95395 25945.04804 45398.41243 15610.86489 26809.49967 51384.13093 55314.42174 82458.44211 3975.335925 4582.943727 4676.794171 4005.857886 2900.715671 5881.545547 5548.881157 5634.2725 4281.302207 5410.320596 7652.262824 19818.29267 4967.250171 6971.266455 7571.49783 6414.255515 8308.371012 10132.685 3256.858463 4581.213713 5447.964595 7022.782944 8800.953492 4456.839465 2890.308553 5785.817565 4595.459637 11299.82593 12547.40953 20422.75865 16152.83573 5252.127652 3802.398587 5732.992853 7823.57974 4473.934449 7833.258292 13764.43096 13047.63495 23449.04862 51130.07956 3117.238132 11473.6197 4079.24656 12152.30303 Dendryphiellic acid B 12319.18637 14587.30495 22400.8587 18510.10546 35755.38609 13833.52239 28137.67085 12920.84604 11897.23525 4417.087641 5008.092742 14499.41802 4615.467587 13062.03724 10518.92227 12574.15931 4565.887922 3964.730932 27225.90867 16645.89158 32739.74842 23035.54151 32680.01333 32443.70284 12758.90044 5699.46145 14169.56572 11753.45123 9552.670715 13570.5361 9792.54111 12706.10602 17355.84118 13922.34256 12730.05479 11379.73966 18952.81497 14099.67594 24954.89165 29062.70001 23448.83264 29419.25457 33065.17398 9009.677692 4400.101931 22213.95417 15753.70292 21861.81845 19420.8589 22827.2487 9887.073941 12639.69854 9998.205522 6226.273323 gamma-L-Glutamyl-L-cysteinyl-beta-alanine 4.07813e-08 4905.35089 121.4763394 168.7167341 4.07813e-08 590.9685832 569.3700686 2491.89894 2937.904114 101305.2985 94141.05081 59761.13728 111157.718 52332.35649 71941.45663 45056.25412 56372.87353 84268.49382 113.8449228 157.7503052 4.07813e-08 4.07813e-08 33.08611878 62.24648303 4.07813e-08 4.07813e-08 129.1032657 74917.92021 78753.7022 74107.60115 60508.33627 102062.0612 67567.2663 80816.92693 35065.73058 62129.25291 101.9366119 78.70958443 4.07813e-08 27.06595803 4.07813e-08 13.12284855 4.07813e-08 93.99074153 4.07813e-08 71.22225789 258.7372314 4.07813e-08 879.9617667 5502.474001 97385.60765 4.07813e-08 83253.83608 320.4382008 6-Hydroxykynurenic acid 23642.90448 26809.06373 27889.38067 19923.8114 25504.66759 21797.33868 31855.80408 10783.81577 24254.13256 541.1625656 205.9973291 255.136181 752.8677213 289.2970625 283.9891937 4.07813e-08 117.3282895 1009.793379 13074.40705 55629.63848 35754.14526 16598.44213 21605.96412 45115.43113 33987.68759 31435.25196 77116.32234 177.0455407 222.3996251 149.7651512 177.0944438 490.9919783 267.2287996 366.2220919 4.07813e-08 210.4563066 16752.24713 46497.47695 19318.4568 44086.49972 19478.60719 13815.35155 39208.0607 32611.5854 85709.85816 40322.99887 37557.00422 29705.02265 15957.31786 15103.32505 582.1242779 25444.5071 182.238829 32419.56597 Dolichotheline 6848.535927 9578.17828 5461.186458 2130.133885 2217.458116 2020.260267 4793.304011 5796.281526 26027.33103 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.83629268 13.66324417 4.07813e-08 2204.417554 1726.971042 38890.92083 9641.185386 1761.504531 398.8696024 5348.047759 3416.010711 3686.797971 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.94647512 4.07813e-08 4.07813e-08 4.07813e-08 7914.199935 17398.65258 26126.80233 4342.570689 5428.015072 4007.323819 896.6509561 8339.272656 14676.71969 2141.166025 1249.307777 3901.356089 8565.051528 15055.07171 4.07813e-08 4903.041588 4.07813e-08 2875.02721 Blumealactone C 1893.63192 4756.506508 564.2799693 1872.796728 2253.284876 1141.979909 4222.340789 5011.769066 1401.924232 38418.97925 33488.80339 39659.46787 36993.17939 28643.24429 38248.75507 21695.84946 84335.12425 109917.0586 2583.685123 743.8928699 1135.706311 1913.692422 1695.227861 1038.629407 1789.448364 1621.627122 1188.804506 38398.41668 57414.38221 90780.02176 79980.84276 77238.87013 39400.81928 28978.29924 48474.53748 68616.68526 10096.75353 1053.034931 1039.369384 657.5601132 770.7348323 2190.017561 2379.648626 1614.971279 1396.95207 1481.262922 5038.559021 2232.727886 9605.200862 11812.34592 66247.98045 2972.362984 35947.05036 4492.153475 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one 182.4399793 966.482447 973.1090806 436.0770606 1023.37498 1434.000944 5645.030693 511.4052149 633.6579945 4.07813e-08 381.8278002 401.457163 559.4116017 1577.92158 189521.5137 258.9731027 1656.586752 85.23685477 4096.043155 3660.028925 3329.15756 3291.275643 4637.440806 3400.380351 3314.490052 3076.417413 2871.397063 89.8226996 4.07813e-08 546.3352565 4.07813e-08 748.3307281 27638.49016 215.4368043 105.2695469 101.242474 1584.634774 3623.921537 2079.79682 3222.371957 2825.414085 4190.714302 2879.765884 2989.036673 4159.425887 2713.900151 1353.473726 1853.903188 1308.790106 1359.071599 47159.71173 2580.038043 300.5345906 1547.50771 1b,3a,12a-Trihydroxy-5b-cholanoic acid 15457.65044 29204.43529 38192.8829 9249.674182 4864.877578 44188.85049 4890.204126 72734.29453 86658.33312 9284.491848 8106.509037 21492.85345 8792.439128 30191.80284 33570.42367 9485.363682 44136.26708 19428.05312 90353.20393 25681.43845 84776.31258 18042.56284 9215.889436 3007.314169 4770.069879 1892.823 2349.225162 16321.15486 21091.68227 11991.07896 21021.95709 20353.21514 8795.337793 12394.07451 21396.9147 7823.308265 49326.65797 21876.27432 135214.6991 54931.07076 7148.043622 10898.02917 2483.430707 1882.87331 2089.997977 229474.55 123508.1879 60913.40163 69455.02905 15758.92263 20471.64501 76464.51949 7224.164884 11854.06253 Histidinal 57798.60171 151936.4418 144607.5838 158280.6007 216533.4672 141039.9044 79220.43163 51010.79291 28568.62369 22901.93922 2687.65061 44417.12691 24436.62487 6094.419696 2101.112172 3656.433579 990.309784 876.3148664 79408.15406 106547.3536 81359.54081 47668.69532 103654.5221 57562.55445 88608.3128 122243.5087 131150.6282 2736.377146 3050.177533 11819.5606 6169.118298 2262.478246 55955.44669 32871.68063 21858.01992 19302.86384 53526.17194 92768.10946 56922.97387 80376.76701 58669.19736 71026.16103 82473.22264 141270.6471 171231.7259 63961.95818 18637.73038 47674.50392 31839.79364 43003.14416 12852.23468 33850.82975 10484.34963 54590.35179 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 4257.965451 19908.68324 8784.61528 6035.423724 3870.151571 5895.254487 3309.819378 3363.28723 22879.62072 4650.382395 2286.320718 2882.764442 5951.318481 4216.681439 9798.214782 9987.126123 5456.282853 1881.054559 5275.733514 9840.903213 7653.755019 7696.073969 24047.66467 4126.568671 5376.78586 22112.21755 9686.767648 1837.844265 38102.25037 5538.349221 7699.118866 6535.035534 34363.96639 1816.794821 9989.137409 7167.537622 10889.55456 6645.396383 16817.85243 6160.829637 3681.590254 7432.987041 20823.8195 8083.419736 6641.5489 43060.42144 12393.33585 8485.496205 29646.94344 8518.895554 24514.52551 4550.985565 5153.412712 5971.34937 N-(3-hydroxy-heptanoyl)-homoserine lactone 11904.48996 5713.957938 10993.72887 10643.3455 17766.00831 10402.48485 15497.36995 12108.80724 7715.284394 134.2925117 42.84027151 36.93928299 284.5697449 68.67490519 4.07813e-08 55.71624763 4.07813e-08 4.07813e-08 11494.40705 25691.6871 7737.749071 11576.67691 34751.56716 41693.19469 29792.72267 15920.62925 27284.02421 218.9091159 4.07813e-08 74.82796939 127.3502565 274.9042323 97.07223665 270.0629926 51.86731761 4.07813e-08 13250.13833 14179.96094 6645.228176 11804.40087 15547.66424 24176.42609 38129.82604 15158.88077 26891.6417 26898.25569 27323.78269 12704.54087 8064.07378 7804.983337 261.9381013 13169.88846 56.61447199 28921.40711 3,4-Methylenesebacic acid 5037.445543 4852.527462 10360.60772 13530.73263 15020.18668 8697.678672 8008.33467 3437.955381 3353.381741 944.7836279 955.4341742 800.2229355 950.6846744 1225.073562 931.5704124 847.0574833 656.0456529 1107.12338 11392.89378 16621.83384 5936.268112 10248.85144 16787.02086 17752.16267 16183.38362 12030.60507 27936.64922 396.1128739 586.0191948 969.3951221 783.1585872 1290.163201 571.6618649 1215.487514 904.7111892 829.2313998 7700.784661 14063.14883 6938.285198 11366.0213 13445.12211 14498.06437 16487.05319 12289.48888 20081.2512 19390.79082 11198.86789 9443.522071 9182.86837 4081.860891 661.2102535 10339.54865 911.0838001 13247.32504 C16 Sphinganine 1529589.097 1537218.016 1318208.435 1297046.611 1274144.228 1009603.402 1191055.698 1301425.583 1314369.577 812480.1019 696314.5745 502215.2608 654129.897 781027.9986 669766.0553 940546.8543 634125.6415 745930.2046 927184.7878 921403.2357 797510.7252 756668.579 803346.3786 797095.6912 969574.5617 1090432.402 1033422.423 683099.4858 695456.8384 713422.9722 673440.2547 797264.8392 807657.5043 728271.0907 506668.0658 924410.0708 1113538.049 1028937.942 881552.1009 805982.5054 759953.9605 845371.1277 913639.777 1144163.223 982629.2901 1018744.19 940913.1632 720664.8306 1061102.069 1075211.665 712487.3265 934526.1113 854294.1846 1241516.729 Homocitrulline 105076.5144 1307949.203 173499.0248 141095.9558 153131.9837 90447.63809 137849.1965 85542.93244 104476.5855 560222.8333 791306.6411 66352.30034 874691.1737 136986.7485 47316.62294 78021.1545 57667.91336 68171.42475 124416.7802 121040.8205 147501.9842 105370.813 161604.9397 133629.4725 117960.126 140992.2286 165308.2576 46529.53416 53421.69872 311090.9954 195021.6344 89318.74752 74486.76586 330168.0202 91830.77612 845358.5485 126084.7369 110955.8131 126571.7815 134602.4013 115750.1088 138973.2954 124008.2 153736.0699 102761.9958 95873.84103 78843.6345 110553.0797 148473.3679 382247.7642 106499.0229 129836.7284 278047.1771 162548.2025 Isonicotinic acid 625876.9669 537370.3475 625573.6694 622209.2272 622976.5938 681174.7593 562301.775 805628.1188 734744.9693 88267.55316 97568.80397 128063.6894 83489.89507 120525.6368 66337.26004 104402.8015 131387.5119 111937.1019 609492.1576 721059.7299 576730.6267 447443.2679 749411.9365 653970.5459 487510.4106 573015.2101 892177.3141 85573.9801 104356.7904 170374.5422 111419.224 179069.3931 120759.3027 48231.753 124413.6958 108704.9024 374860.0543 651717.7289 668339.4199 765502.0705 600141.1138 592528.6971 619866.9938 706040.0159 315927.5799 697533.0208 502919.8791 663756.5397 594079.3242 530597.1453 120666.7184 633633.4494 118163.7497 573851.1244 (4-Methylphenyl)acetaldehyde 5790.1876 4657.500814 4703.558386 4429.017993 4253.937216 7994.968053 6025.999372 5850.286017 4758.158832 2462.899029 2320.763588 2230.739705 2221.375699 2519.874892 1966.594424 3080.545043 2016.879985 2797.318821 4270.290464 4140.588142 4330.237724 3655.195422 9569.029399 7953.882655 4088.291475 4335.454893 4521.158743 2292.669179 2511.659109 2897.39588 2705.79685 2193.85486 2371.210067 2284.161954 3639.505876 2868.715334 7299.790959 5085.834978 4893.424672 6293.257113 5765.772873 5774.090932 10998.14499 4434.756831 3913.677368 8817.869525 5187.229213 4976.630001 5670.004501 4750.27711 2157.667548 4562.376827 3403.738854 6958.428381 Tyrosyl-Aspartate 15246.65167 16913.59532 7220.70241 10618.05909 4569.992041 5580.095137 12226.41342 19755.97147 18765.76661 22467.44681 19565.50897 15902.11891 24927.18697 21772.30776 18594.36224 11069.61499 25626.60713 23516.53592 628.3821512 1144.111527 1160.979569 60.31150383 930.2250429 1154.290136 1713.444371 887.631904 2054.581037 17707.8769 24265.48388 25747.95199 19155.99347 27912.47337 16671.50474 20102.13192 13458.01728 21927.58294 647.6437763 2327.525 3167.56272 3605.782551 1501.086513 1077.724957 1606.127174 1104.904806 4.07813e-08 990.0586863 859.9475958 2695.317605 5830.271346 9826.334682 28755.38844 4779.918773 17110.24097 4065.452042 L-Pyridosine 42639.9102 42269.29429 22280.85178 25078.39917 18495.04639 18579.14642 31473.53306 37518.64903 34425.80533 86527.12544 71716.84031 69248.90206 97330.80685 57935.87123 56780.52224 65483.64106 46956.35349 78175.15474 17891.72395 17089.10298 16132.705 12393.27893 16713.23276 16536.30782 18262.81656 21652.5154 21069.41044 75552.91004 65994.85043 68319.3436 60818.54527 87262.08028 54823.29949 79820.24312 34953.26405 62904.29447 19469.26978 18238.58221 22207.73844 18825.37296 15520.80111 17279.03258 15794.44156 24418.37122 20509.98091 14852.93465 17986.17786 19317.62879 24973.73747 32953.3084 86482.96857 21849.24598 78706.09559 19595.52063 Tyrosyl-Proline 216199.0419 282063.8516 152737.7655 168088.0223 118536.2769 94239.42741 222505.5247 292460.0105 389716.4466 113502.5986 62283.0738 110611.6585 123892.6827 46191.9825 121377.8127 65191.22314 44929.73922 155957.4227 31602.74536 34249.85292 63304.4202 28850.60716 40917.38373 46462.94345 58046.61577 54199.47002 70140.84746 212156.0397 92892.48643 37503.92891 169580.3417 42768.53743 76406.92187 232138.5117 96884.65895 56956.53952 89565.00499 70332.37879 93809.34727 85294.6623 46626.06815 50942.38392 51555.31047 76635.10185 48973.7762 57989.05747 98576.98503 89953.36403 166481.9923 236773.1656 120849.5594 70164.88557 155619.2152 76059.44241 Isoleucyl-Arginine 16243.22366 29727.26912 13163.93356 13710.39736 6384.742761 19289.1896 32494.52367 21750.36601 17709.76266 55629.79224 41744.50756 25490.11057 47581.68483 18837.83 43478.30601 8712.544469 22588.51131 48257.73576 3499.511226 3827.267618 7463.460871 1755.917179 1374.157615 3379.934971 3453.426393 1498.623026 3985.235234 36417.85351 37579.58669 23015.67383 29483.23394 45868.34107 33183.88672 50000.83373 15710.70284 15488.8835 4818.335932 5030.045171 12242.37618 7939.778269 2640.884088 2835.758341 4426.399535 2188.181927 2380.013172 5996.780015 904.5945503 3273.327678 6354.704573 10961.64472 54360.57469 4876.77308 39312.45035 4571.162177 Piperdial 14415.86179 11477.236 11136.30152 10999.13663 4979.975875 2996.762757 5171.739512 6688.458916 8256.60078 318.9873897 122.6198144 236.8218842 249.9523857 701.1417455 86.05517307 560.4087075 630.9307681 739.1550677 2124.016652 4430.603487 5246.770103 3381.573075 913.2980138 829.4285284 11230.8574 22295.58161 5751.217187 4.07813e-08 413.985485 408.2149909 64.47765088 467.5457964 841.4997512 72.54635169 534.084051 421.8852371 9193.524212 8113.827624 8795.054725 4827.724659 2239.581865 1590.74899 690.1185538 20964.106 15752.15527 1127.633841 770.2979143 3477.191226 4211.444935 7782.877878 209.0825726 3900.615786 213.937897 2025.010884 1-Hydroxy-10-methylacridone 241.5255314 4.07813e-08 330.2214434 625.8102016 285.8281358 2714.656248 2745.810509 4.07813e-08 449.9687092 30807.27608 23700.72953 19178.99873 31325.00817 21962.09757 23927.00624 22743.4375 41249.84199 3556.981598 297.4393935 673.5782539 211.7931528 555.317955 613.5425757 499.7878146 251.6911603 745.3824009 503.2316817 24985.0609 15208.38517 32120.59443 15319.20665 36406.80336 25376.67052 20141.22232 18024.58879 22970.31682 262.4523165 236.3922293 466.7652086 658.6818578 187.3792815 676.3817313 262.2218268 713.1034014 505.9714915 206.6260157 631.2161138 791.4744033 6175.464089 630.8930039 111780.2105 3381.958636 49194.695 8267.593807 Asiaticoside B 41.78323063 4.07813e-08 231.0156367 1096.183638 607.1428766 4.07813e-08 47.7523296 587.2392404 592.646157 177648.0253 133125.8747 210373.0072 112171.4871 133221.6645 153887.5639 80400.96733 140802.6852 231165.8306 4.07813e-08 430.0936738 4.07813e-08 552.9558021 4.07813e-08 4.07813e-08 1056.781546 4.07813e-08 4.07813e-08 31599.3059 192827.1946 217112.8437 97134.03148 355779.6061 144125.3637 42140.15884 82228.789 175731.1508 239.0316566 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 406.8892725 2399.755226 4.07813e-08 1010.439194 4.07813e-08 1023.285382 504.1601517 161750.9017 242.9630362 307633.223 4.07813e-08 Citpressine II 7071.219133 6267.478362 3757.206671 4699.217798 3299.170091 7242.753464 10911.89859 5782.443522 5985.459025 15810.44686 26445.39299 11618.16465 12904.78752 19732.401 7792.781187 23179.67783 18877.55708 31467.1133 3002.460926 3513.867693 2862.239254 7896.925145 4923.162238 2731.338956 5527.609177 3245.847904 2447.434092 6149.853894 6664.503747 28536.42776 9707.002612 35528.40809 4983.504997 8255.122142 4994.402323 22362.92168 4893.600182 3115.155449 2613.782156 2705.717166 4365.361103 5058.233203 2580.098817 2690.927511 5101.693154 3722.011727 3932.686369 3629.027296 4629.047037 2415.535997 16028.30492 6098.580648 21299.26298 3762.439591 Lucidenic acid M 12927.94257 3830.386099 5955.349977 4954.924715 15166.88211 6508.564586 3483.832908 18004.48013 13584.70552 4.07813e-08 862.0193684 7461.990858 380.8840165 102052.3343 12261.10762 6366.927183 2287.39476 35252.99339 2202.519759 2463.006864 1783.042963 1392.492979 1189.125381 789.0461473 20.78550744 35.51236779 0.035722471 7913.587363 761.7235583 4.07813e-08 1051.336749 981.1567668 4.07813e-08 654.2920415 5428.233749 686.2622593 2228.376837 366.5749297 1088.29474 1762.251801 798.9908183 656.2601977 440.1977856 431.2790446 301.8730956 4075.080206 2609.540644 3308.931845 4205.542137 1638.514083 1405.058032 2476.484751 147.8743775 4261.776423 3beta,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 152618.2365 194450.7401 86211.23978 22422.26706 37765.4463 129079.4088 40679.54053 85193.91869 138074.9542 14133.67928 4445.142626 62902.10848 16035.49086 245303.0822 131611.0659 27263.14034 205459.5296 214113.7524 33259.33735 30589.52196 44736.8393 31567.78888 29252.2885 28389.02681 23630.8071 15935.03559 27168.06312 38526.79583 59072.86944 3930.202319 26966.66769 24330.88019 9777.873518 70828.09016 40183.69882 8130.956111 30467.68245 28635.74018 34752.54296 29476.97437 21605.60068 29086.8664 25153.97834 15687.2663 26166.61224 45588.67084 355522.9659 146368.1298 290342.3116 173331.3746 80309.39244 159502.3174 6098.628083 84325.48101 3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol 61695.31575 76304.28781 200636.4302 120716.2732 157883.6656 391772.2866 251036.7625 240880.0918 221291.3984 1157.154592 227.449391 4814.191168 858.1389769 2819.434791 6270.29458 1820.043494 4226.092908 4623.876041 173153.2119 418987.9992 294904.7161 274726.9423 289051.3633 411969.2555 248471.7048 108191.9487 28024.60066 1922.043495 4744.150392 355.9707921 2630.144642 651.1488472 4.07813e-08 6692.380742 2509.624494 3084.869299 152761.025 154264.7784 172814.2678 229238.7651 387148.6603 140630.298 337306.5998 98364.1287 10064.03811 630829.7902 369724.8183 480547.5893 179008.0834 174327.9199 105812.9888 296689.3676 18618.35253 196836.0588 Nootkatone 16680.56981 18739.85003 19478.18039 17756.37549 18517.25594 26788.35596 24879.94115 13971.70999 17147.92681 12880.3669 11820.19502 9740.894142 11957.0725 14044.3591 11559.38147 10624.50215 10806.62492 12791.3858 20465.94718 20139.71361 28043.54763 26455.54992 42210.61724 44604.86292 29347.26897 38803.43542 29924.87476 12115.05002 18192.50457 15374.9007 32094.55239 18136.39078 11345.46901 16217.044 14446.32331 17315.52933 29073.55197 19323.01817 30801.91936 21903.42242 23261.13954 30569.05659 30693.37777 29715.19256 29517.87593 28459.28056 28088.54081 26379.84423 33883.7049 18148.59999 18555.33772 23706.31835 22576.14659 19893.19576 3-Oxochola-1,4,6-trien-24-oic Acid 1.084509464 891.4112997 2743.499074 1909.939358 1356.250595 1074.931751 3661.944796 1252.845691 4.07813e-08 6.231750414 151.686616 19.41971978 86.2688914 31.20422811 30.95207839 1.495444917 19.9481569 336.0082113 1988.671906 462.6877936 4070.802064 1609.797507 6484.083987 4514.867556 5694.369072 4644.50395 34987.53653 21.13210544 246.3942475 7.476567808 186.8497989 711.2403488 15.61567409 10.14085874 82.51615453 91.69774466 2986.597147 4715.217842 8440.217737 4705.95913 1025.879464 5392.944223 4048.870917 4030.425112 40553.27913 19328.67078 2668.222068 2583.74178 2325.968451 536.145949 169.8146106 2210.754441 544.824203 2661.570742 7-hydroxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one 5290.688801 3482.09247 9693.003942 13159.3958 8066.379306 25204.21135 20029.31152 10306.83931 9954.854956 3073.463136 681.8359469 170.3640189 2219.728292 317.509521 485.8703373 1250.30284 1022.839641 4.07813e-08 4736.49113 7816.622965 22815.66266 42576.26191 36536.2234 21218.0078 16162.91937 6125.476797 4947.705035 7987.252288 783.9022177 2947.046748 787.5361311 1055.457537 2489.509845 1526.29081 2064.665206 2934.5929 23234.10058 13306.85624 15684.09487 15800.67769 24516.06993 18780.16919 25395.94028 5573.731139 10531.11179 18031.67014 8789.233458 23223.24032 9812.230759 13589.19924 5152.294901 14456.12793 3691.874906 14499.03047 Aspartyl-Arginine 17107.32858 69118.56549 16954.44862 28555.0281 3375.907916 15985.47458 26424.0175 23018.33683 29751.28972 240387.2071 233071.7191 170515.0705 279688.3311 154813.6859 194178.2667 105663.5139 154977.1711 238227.871 5281.326011 5550.423387 8927.634724 11439.93807 4608.79981 5254.27039 6012.052139 33299.65049 21543.72449 229534.8626 221575.6266 202838.8046 93235.19326 274924.4841 172992.2578 184448.9814 124524.0738 154054.8617 11184.9104 9950.17626 14074.58761 10084.98069 8434.640728 9364.651424 2784.815818 28792.97592 16757.20135 5951.492402 5826.423612 11565.19752 25685.32871 43722.29035 315071.7904 11308.42691 189281.2001 13448.04856 Alanyltryptophan 28744.58286 22231.28691 19190.1915 18831.91833 20861.93412 23613.51399 20167.1654 25204.15151 24187.64122 11727.74637 9285.620221 8205.858369 13372.42053 6831.944193 9743.555725 4582.76888 6678.531038 10116.73873 36114.95236 33823.87874 32774.86128 26147.39109 32590.23967 30058.25737 30968.13665 33482.42521 34871.3955 8632.4025 9439.39303 7909.999082 8285.793857 11781.55749 8287.674958 12314.83706 4486.513184 6437.593601 24403.28218 28038.59129 27239.57648 30415.92039 30260.95282 30738.24181 28211.72794 34752.9256 43672.10658 22387.83236 20382.03915 21891.8608 20654.27149 21676.37448 12543.5441 23392.48321 9167.393761 21243.1256 Leucyl-Histidine 5714.842688 14966.02375 7274.460692 5830.9238 3467.238805 8830.411943 11330.56705 8792.920563 5041.120863 49588.79975 38963.73581 21444.27107 52918.4538 17234.06871 33627.7558 11833.88014 20634.50223 44240.65034 2867.500539 2856.873178 3096.269747 1889.259916 3599.540169 4316.949543 3698.560117 2999.805183 4324.724431 30095.45372 30922.56299 18526.56938 26111.65784 32839.03383 24807.583 39983.7877 14763.84763 14728.54015 9864.745404 2922.544168 4009.668587 4578.534405 2741.106506 2682.076271 3317.926582 3660.51248 3660.790942 3481.495888 2980.512857 3708.46708 4583.294373 11437.60493 41122.97773 3686.425865 31356.8285 5245.529348 Glutamylmethionine 8977.600489 16202.98177 8615.079758 8941.239404 11705.39944 9398.121196 8396.099647 16595.46239 24567.77557 40597.08076 51078.5683 50164.7834 44535.96772 21708.96633 16679.65698 22513.43168 35856.80711 54901.28263 3455.55159 4984.305881 5246.041827 1337.805586 3181.712237 4676.279285 2523.948786 14488.78431 8111.353482 64390.38536 34175.07199 37351.5158 54261.92337 36299.92239 29776.90177 39436.51889 21666.09114 40046.32324 3406.142184 4042.390213 4748.353171 5777.521794 4186.269131 3120.524471 5462.528469 16108.13499 10740.03517 17146.33253 15291.19044 8825.184101 13100.05582 13713.47578 33293.5795 13743.32522 82496.87339 7212.785428 Tyrosyl-Phenylalanine 23005.08841 50189.16275 10998.31344 26137.33949 10140.10873 12932.65532 23184.71645 25778.39124 32907.52855 19055.40611 27889.6516 16792.64252 31165.58547 17737.83438 11990.02646 12625.23203 11940.51029 5922.049677 3622.189663 6559.081882 11811.95189 3816.905508 5960.867771 6153.144554 5888.64052 6708.537731 5542.520123 19846.18464 6991.938769 8182.29648 8303.096195 8613.645642 17600.48717 12568.5784 12748.81417 8360.179334 8227.511757 8075.023875 8284.969262 8150.066953 3014.050434 3794.91878 5821.270257 4928.396674 5768.063681 7060.493506 22552.3386 7998.095021 22130.87695 109347.7175 8290.149137 7529.614774 124670.8579 21689.6414 3,4,5-trihydroxy-6-[4-(3-hydroxybutyl)-2-methoxyphenoxy]oxane-2-carboxylic acid 122.0357532 26.94667828 20.84162591 126.1995855 132.4772721 176.5418777 109.7855022 82.61994778 153.5072304 62.69518824 4.07813e-08 4.07813e-08 14.10727125 31.76291262 4.07813e-08 190.6743423 63.28114346 13.17011493 117.8144864 43.48869873 93.57417104 29.35794148 478.4780809 347.1373073 116.9279575 108.3168117 197.3288995 138.6177437 18.8848549 4.07813e-08 12770.88099 4.07813e-08 4.07813e-08 513.2669497 4.07813e-08 1204.226975 43.22958014 84.22406668 77.63329711 155.0629908 9.444098559 295.4023063 337.3646449 23.78112582 147.4330222 263.3677851 247.366521 102.6251673 1198.065649 143.7471558 4121.706565 137.0211335 71232.77671 549.5749794 Sinapic acid 5754.203081 45074.94024 8263.810559 19438.81578 8755.296969 8493.48585 35052.24481 40921.78643 18371.14817 11105.88689 12469.55479 11515.13708 10388.42426 14250.19834 15262.52061 14235.68987 3637.695415 10224.15405 2179.376531 1566.540981 1786.369978 2814.708441 354.3844838 661.9629539 2699.273805 2328.524132 1921.410036 19524.89354 7909.471087 10979.3369 11323.51481 10580.51837 12256.10932 6045.245977 11500.13896 11268.03096 6142.888143 2577.564026 2617.941226 1775.426981 1852.569739 1455.581098 521.5341234 2932.491361 3388.144695 1855.706071 3734.014418 10019.43671 17042.10105 22168.8751 2531.518381 13371.48448 12589.4791 33354.77606 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene 3734.128501 1962.974514 2743.546383 2234.729407 4042.642558 4538.984363 6052.777099 2247.431385 3294.90623 785.3640649 795.8418634 507.3062544 795.539243 630.7118646 627.2196322 752.628319 687.5397954 718.0324966 842.9735377 876.9323036 1494.587883 1956.783297 1376.741994 1236.943061 1723.964644 1391.616661 1831.619095 568.336121 669.1253941 864.5949008 855.912426 722.3174742 949.8333004 860.35945 924.8480166 550.5503897 4468.629431 1728.826307 2817.992755 1611.538283 1775.085439 1376.513307 1706.33607 1422.628936 825.9778813 1039.630837 1477.179966 2205.204386 5479.909329 2219.900919 6502.632316 2189.52923 27434.19934 4115.175779 Eszopiclone 598802.55 623042.5461 871600.316 760674.4366 816374.7934 539670.877 470830.8529 449903.8052 522507.2326 511541.4638 345448.7718 347104.4406 505720.5627 517898.9912 306067.7419 533329.3027 335848.5798 587857.4244 390066.4536 393971.8889 381310.5933 537609.4333 469550.2733 447021.1614 577186.5385 498747.4281 591538.7721 483621.3915 379003.7537 660295.2436 547472.6891 472184.643 516100.8782 326610.3346 401366.0124 632933.0823 462996.3152 385121.6209 385181.8147 486605.9734 482171.8859 416649.0694 403612.7986 758457.0128 560114.8311 454596.3545 419863.6083 428872.4757 410386.6113 595443.6176 488990.1196 459799.0301 471142.1171 769035.3168 Formimino-L-glutamic acid 82555.84853 71197.88984 132468.2095 84905.17494 75819.13063 175185.1767 64453.14885 290712.4864 436832.5813 33368.47946 6198.639503 27677.15364 37242.4014 8342.513548 3522.578778 3291.785153 4341.086773 81920.97115 104344.6312 129729.2386 61077.6226 31027.71982 48488.00945 153133.5139 99382.87443 36315.24547 167989.9831 4220.310468 40665.38157 23629.74709 18150.88412 13837.58041 10759.25353 24082.20386 5018.655832 27855.34896 95008.7915 72542.11804 89360.61031 153297.5045 92580.31147 62868.26908 221121.2683 100173.8659 20347.04922 240877.7245 118747.9276 349663.0554 151347.5606 115791.0221 50138.51349 367198.0127 19466.04939 250692.0899 6-O-Methylguanine 3457.300607 4344.906055 4124.734754 3352.26198 4532.595005 2854.348866 2465.605811 6734.569183 5824.546315 6432.101007 4661.102461 21131.86831 7383.924852 5026.880061 9561.730616 5643.34514 6495.341068 5982.958726 3710.894624 3117.922792 1489.056655 1796.373796 1688.280489 2857.239433 2799.908872 1263.35359 3684.259384 5100.840583 8078.304455 4209.34977 13761.3852 3812.646437 4548.18286 11346.43398 8219.130369 6441.104652 2727.83139 2262.312719 3222.834122 2145.241147 3889.30751 2968.924763 4492.13208 2484.210502 1270.780582 9734.921113 3455.245662 9929.419405 7105.732658 6630.78802 5264.834752 8724.096402 11622.66916 5230.691263 Methionyl-Hydroxyproline 633.036913 704.687843 354.5217363 381.4608229 276.4584028 314.297577 247.1293071 193.2081827 522.7499871 39859.43314 29794.59039 20449.95895 41324.8464 20747.17845 29284.50834 14362.12737 18389.77259 26356.4392 1428.638988 1962.665806 1598.064652 1121.962855 1226.658423 1349.305932 513.9514665 1178.367403 1302.403321 28665.54447 29705.76147 14007.60584 19745.99395 25045.18159 21601.34469 36249.37607 13723.07777 15130.10981 322.9018118 512.1486144 618.5195791 1277.139967 899.5607714 1218.699225 1812.333195 944.331974 2577.473684 991.6775545 855.1983945 493.8032416 146.1204829 558.6512242 25403.01421 895.1455209 23117.1217 1173.058528 2-Formaminobenzoylacetate 31820.63029 24882.12528 29039.35555 27953.29987 34060.97143 27808.8034 28683.21978 27449.52096 24375.33634 1340.066632 1327.726403 1600.381394 2136.260973 1998.037516 1381.399566 890.5397407 876.2991031 1774.935412 45222.85309 44776.61215 46251.12771 43420.6074 49073.51016 43812.8346 43857.28402 49006.3613 47662.86019 1357.26099 1816.223526 1754.376782 1827.272516 2248.814009 1382.937029 1536.672109 1312.786181 1502.758655 33717.06258 35574.31524 31898.31379 43537.00311 40869.86413 44651.8379 39351.76934 45684.68995 53168.8545 31710.98321 24283.5475 32672.72668 28258.69207 26446.71951 1646.449196 31930.03963 1507.882802 33180.53518 2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium 39620.64427 43839.24206 49200.62133 71358.32544 61095.83793 42896.93718 40337.64198 42792.62365 37511.51013 20814.37862 23923.96348 29663.09779 24981.64425 29789.33392 13295.68389 20919.98271 17586.59567 17796.50408 50984.22344 40651.8137 39009.24856 45378.69985 48865.98698 45044.66499 41863.37141 56884.87364 49736.35432 15399.65638 17123.28669 33746.71601 14041.29339 20844.72206 27986.73983 18815.64367 20092.89784 22210.22499 42905.84465 46318.49323 45665.60827 45328.39778 41649.96309 48346.59171 40108.36621 57520.30353 59281.19591 33441.60973 33692.97897 35254.93198 36729.62885 37347.14518 21621.00923 40140.97435 41193.89426 43798.38427 4-Hydroxy-2-quinolone 479478.9365 392197.0299 295979.2267 438749.9947 289588.8213 200644.2207 261419.7664 314638.5382 185405.9238 56733.69143 55555.70231 45172.02758 56245.3255 50666.13009 55892.95362 36757.92873 49654.54078 59477.58388 450922.759 307725.8202 518316.7256 728959.5388 439048.2538 70180.34531 560304.7111 553636.6662 129780.6678 57575.07078 68247.72823 80161.42906 72001.28437 119379.0458 83015.79738 73546.26754 45480.67228 49351.71677 775854.6947 362163.3833 524823.887 156329.589 682565.582 745186.1619 73285.15052 421109.0251 805230.9099 55361.72577 91327.45465 196791.1755 525501.3059 356476.9273 105214.6251 176971.5331 50935.28741 176303.2648 Phenylalanylproline 410414.011 563948.3646 290108.6461 336148.1731 242377.1814 185481.367 417095.1848 596989.8867 866856.5075 77406.42567 64326.97998 130962.4961 90258.03502 53075.01412 54698.76664 37124.10684 26829.47612 76187.94476 62746.61215 67854.3243 126259.366 70423.39024 98457.39042 91894.36239 101210.2281 105773.1119 129352.1481 85850.5539 50305.45498 26835.427 59129.16929 27625.8081 41483.02423 72927.7977 51734.20056 42847.70706 122714.8913 136999.4593 170426.6545 160208.4785 100234.6302 109515.0038 103676.859 115711.1125 112598.3574 101552.3995 190962.6024 156970.0823 341261.6429 455725.1396 68839.35583 110633.2476 128237.215 134001.4613 Scopolamine 3794.7678 3445.301516 5571.881603 3572.833785 3936.502568 2088.990968 2315.962775 6262.93368 3788.492391 1216.989101 661.4599335 155.7888258 1248.986345 120.6889653 1714.595351 138.0490319 101.1545461 227.5799163 1777.451045 2577.708656 7815.159055 76483.08195 2786.587772 1720.269482 3090.565446 1010.98792 646.6227212 219.1925812 4.07813e-08 191.9870871 67.80036158 60.54786851 171.683275 432.4058041 143.1078081 264.1208693 9673.165747 1937.242357 3268.490979 1789.232475 4121.531178 2656.117514 1306.221058 473.1790829 409.8234448 1189.891461 1084.829624 2265.618642 2517.768166 4977.748088 213.4607635 3026.848928 4.07813e-08 389.2016631 Azafrin 15847.46939 21737.55895 22683.68614 22583.01229 26600.42282 12053.21689 19059.08369 19516.10005 17898.06268 12636.51622 8053.345564 13306.44405 13381.30208 14028.68585 18723.37555 9544.151414 52701.80445 33440.56559 11167.54952 9652.57636 8582.588626 18797.97846 9860.960832 10656.11647 17122.88059 12168.35557 9190.128992 22352.32454 7220.058297 8165.413979 1311.177998 1725.545962 8306.287906 7490.689612 17019.17668 15989.82027 12729.28222 14442.35903 7819.081245 15326.56335 19626.40258 12807.15037 9415.811636 11801.00376 10460.83458 12072.3969 12529.52744 16059.27097 9476.487639 6531.870762 6133.868714 9981.808393 2723.670459 7077.762054 5-Hydroxyindoleacetylglycine 1183.237845 1924.025614 1713.211664 2462.180006 1903.565248 378.3732699 1477.403342 1514.372811 609.2768845 183.3193673 373.3680061 227.0002382 320.5270561 473.5125568 253.4744476 372.4814704 122.7145687 245.0220887 2090.678386 1703.267323 2268.729348 2709.902789 6148.752793 3325.352649 2775.92554 10599.59406 12098.80979 243.5290578 168.3408159 221.7156896 243.3471288 326.9285295 543.1252325 167.1195609 171.2951754 160.4842929 1472.820613 1708.220409 2482.630455 2646.966295 2413.863847 4172.67398 3825.524633 9468.459747 5755.872734 2177.2802 1934.633204 950.8879033 1785.919184 1273.047476 270.2974278 1458.999425 292.4747405 1767.135545 2-Oxo-1,2-dihydroquinoline-4-carboxylate 6523.320205 8502.363932 6486.622519 5387.602879 8656.183995 4547.311645 6505.268851 6234.650568 6267.824158 909.3652236 1031.126819 1032.237639 1022.783517 1221.920331 1059.615898 1272.613419 1126.748545 1179.242868 3868.902472 14225.15037 12203.04094 6401.747318 10463.28491 5291.054876 11246.65446 4385.537205 7208.708015 757.131897 1175.716639 1597.373149 1174.576505 1376.087017 1186.731884 1390.915182 1347.624078 1382.622006 5491.964509 8481.870688 6894.920492 16235.03005 6025.700817 13348.79553 5997.814101 4778.823692 5240.975718 13165.62361 7096.688393 6153.587076 15493.10943 49865.34017 564.8955857 17608.73271 1562.357765 5638.852208 7-Aminodesacetoxycephalosporanic acid 4.07813e-08 1411.899738 4.07813e-08 55.30501743 61.27066212 4.07813e-08 15.11515736 4.07813e-08 4.07813e-08 4867.088453 19273.90558 30288.56754 6020.61998 29594.54013 2422.514999 4667.705232 1037.700563 3014.476812 218.0115708 4.07813e-08 4.07813e-08 76.2114281 42.37219768 4.07813e-08 53.10231423 575.1090499 227.6023911 5448.193176 10675.64152 87785.56281 14801.68758 6633.620496 28119.15398 6482.011966 34537.47506 59840.38808 292.5440079 96.10364042 4.07813e-08 4.07813e-08 51.52886254 91.44042266 4.07813e-08 496.9608028 322.3127773 109.6913264 307.2024435 4.07813e-08 233.7678434 1269.146425 18815.51219 108.3942776 7378.591516 722.7568962 5S,6S-epoxy-15R-hydroxy-ETE 65044.12878 37795.69084 65841.12216 56408.49621 38326.958 51499.68127 38485.1698 33599.12811 40114.41432 30971.64842 18612.54033 23693.49976 31474.5223 38075.85758 24129.51299 59672.19575 33312.11553 23203.22401 43700.75111 41329.02913 38404.78609 38621.20111 44934.55375 30214.06035 61670.06435 32667.01788 36760.85202 18464.58845 33591.99186 40254.77129 32606.65817 29861.89792 32516.35532 19650.66328 38633.54913 42117.05352 54288.87585 43311.64301 45360.9758 40581.05454 23285.56971 47642.25293 37317.46977 49195.2468 47617.13456 42190.15858 52550.08301 47655.5919 38384.90807 44413.10433 35853.17781 36352.00495 30912.76931 57671.01929 N-Acetylserotonin 7206.050646 1773.345607 6259.579167 4440.394432 3382.699423 10630.26875 7854.35182 4872.743389 2210.21326 752.8753121 915.6082286 519.0793985 653.47932 223.1301643 436.2227364 1230.531676 62.60332744 458.3562372 6160.707073 6156.473509 15342.66095 12103.87815 6963.886755 7063.156041 6612.934525 4143.411482 3997.734152 312.0943174 397.7458092 1954.762892 1253.537284 1458.542749 1179.932203 799.9474315 225.2255531 1775.474557 10726.74295 7859.863824 6360.564868 7203.112023 9782.773978 6526.356529 6412.287337 4198.959965 3777.84934 7606.917365 5301.86663 7984.265447 4563.07242 5725.740908 424.4503809 5180.914145 283.831737 5766.944994 Phenacetine 26192.80294 16200.14786 25315.03448 24271.68048 33780.00087 49612.74883 78655.38548 33698.68692 32521.22588 1425.154842 6001.732981 1286.731896 1252.844077 1257.748836 1847.453048 9450.435449 1174.157506 1883.392599 26604.03437 37233.40337 14444.3245 35201.22534 52488.91156 60749.34086 36858.44209 28837.30006 38750.53948 1187.762377 1318.036269 12847.10098 12137.89972 11195.29746 4991.880716 3659.94753 1363.840105 8120.051669 44245.38876 31132.746 27136.64196 27354.93533 33586.54237 40473.79576 57013.31367 27696.62036 30598.15835 36485.89958 34738.75378 26932.55753 19660.45485 20399.11548 1593.265458 20927.72019 3699.470492 47305.63241 5-amino-2,5-dihydroxy-3,4-diphenylpentanoic acid 18935.48341 15900.22311 17094.69634 14863.63811 14515.72599 10087.28053 32181.10722 23051.85363 20604.53682 4783.362192 3282.327142 2302.720938 3513.263845 2189.241925 3060.175066 2334.050174 4135.30202 3306.064009 20185.69486 57354.93821 19135.95572 21670.58283 48702.01328 113625.5953 43940.35651 33242.62152 48136.35806 5218.06723 4172.252899 4041.506052 5420.428897 6363.161973 4031.881843 7865.812344 2973.559392 2431.439465 24082.74278 40849.92026 16997.72152 22090.34356 25630.25066 28851.8409 110853.398 32038.25067 38498.15488 52087.43563 38235.79832 18047.43504 15327.18138 14570.10159 6096.440352 14261.39794 3610.671723 87152.35954 (E)-2-Butenyl-4-methyl-threonine 10992.60127 10219.68773 7857.140836 7823.899245 6723.35037 8135.337441 12280.14151 12784.37012 13471.25341 5597.269399 8815.616936 14134.47026 4929.29268 11513.25032 7196.055042 17012.41869 5801.108224 4677.013723 5901.193039 4756.092401 9331.299189 4943.014571 10667.7601 9483.026284 11159.42338 4554.376563 4790.617216 11871.29076 12453.61275 11333.87178 9878.194916 12546.03894 14989.87801 13021.71193 10962.73931 10143.08466 16491.39241 5647.152782 6138.071812 9759.733982 6023.801251 6731.3165 21371.64873 5144.525648 3799.694186 15101.993 5389.337407 17403.02832 11937.01368 15708.54542 11948.99945 23109.67292 12945.92812 12058.74672 (6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid 109094.1199 69855.39651 79088.40708 83793.70926 91443.87434 94829.66465 90539.51337 42394.70914 62023.09329 17874.46795 18264.26116 10819.26384 16785.59597 11261.69839 9384.275019 14602.18222 11015.11471 13460.58294 101280.4544 98468.58047 83589.19311 90054.13605 120435.625 97210.77854 87633.06093 45633.53548 56367.94791 8306.515144 13048.36796 15793.6292 11974.16679 12653.97156 14876.87275 13062.60448 12441.1733 16650.93268 64370.79116 101306.7413 84544.73814 67182.60865 91671.16822 117757.5412 94893.95192 49859.5686 61057.23229 83103.17786 73651.53197 88234.20526 58879.78092 47929.59787 14815.82511 83979.70601 28647.5193 68905.08514 6-octenoylglycine 58566.96399 99264.1356 98655.81016 75582.01726 46797.3224 96721.58391 104702.1748 269175.2566 224189.5315 406.8523651 313.6183243 201.9576702 387.4431233 475.6509857 302.272818 4.07813e-08 4.07813e-08 326.4232665 32006.80803 28909.192 65535.48359 21858.67265 83616.62394 64476.40962 41342.47417 22909.37794 126818.128 257.0252392 364.284807 68.22083575 219.5002584 177.3486624 4.07813e-08 745.5110086 76.18951547 286.6159104 14808.71025 76425.72913 95114.96821 108865.6117 42070.07791 35949.8819 123594.8791 35126.42965 18811.25015 89722.6664 29181.36824 114831.1816 84678.53588 82261.36719 191.2720436 89848.28314 544.9761112 73078.54477 Pregabalin 3173.506185 2910.612084 9784.17065 8867.509582 20668.63373 8402.497838 11509.11962 5318.129571 1881.100892 4.07813e-08 32.92394398 4.07813e-08 4.07813e-08 217.7545661 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 71222.58768 58370.16358 38523.6633 48316.42814 78163.85396 74593.13065 55749.66766 87874.43694 75224.69589 0.106694019 36.15412885 56.05249315 4.07813e-08 110.8586262 30.80340987 4.07813e-08 32.77510327 4.07813e-08 31606.4262 36491.65649 29264.63736 57472.70479 55250.06317 67691.46279 69388.69769 88280.96221 51669.27483 46067.48424 33673.72824 40398.96688 33148.77902 25307.32997 4.07813e-08 40185.91775 59.67741152 45854.97878 7-octenoylglycine 651247.9313 774116.5582 358613.9535 565422.3776 274746.7499 351621.1409 784849.8386 683979.5398 893838.7559 22013.90306 22886.02519 22722.0699 19499.29702 10160.04656 28594.66149 22810.90528 23325.23161 18759.17456 64971.16685 72143.93801 190566.9279 57451.53566 96951.2979 86390.66788 107834.4332 47398.44759 86671.77208 21822.08375 18256.34381 12250.47234 26073.9383 13933.80958 17840.36772 25187.11575 39195.11553 18854.54915 172234.183 212352.3111 247795.7565 156722.7912 124292.7164 68249.57082 101620.6657 52570.57719 48450.863 85413.53734 189205.655 161999.4518 361860.8497 450005.2603 11610.12333 174639.234 19958.86574 150183.3753 6-[5]-ladderane-1-hexanol 196729.0796 198831.2152 203626.6086 188810.2461 181282.8241 173292.3742 162586.3519 184329.169 188271.1321 137922.215 125664.0534 117888.789 124464.1942 126381.6608 107132.8402 172750.0327 119132.5925 131582.5302 134500.5517 142360.9113 122474.7802 128145.6276 122152.7006 123132.0761 145117.1772 161227.6624 147247.7799 122501.357 134123.8672 147607.529 144848.0894 130958.2573 132323.7835 114990.0217 155035.7614 148511.5182 150965.4439 125301.5081 137190.9448 122315.6245 127125.3428 129176.2245 145531.6751 166737.8054 146759.683 154319.4649 142020.0191 143456.6724 152940.3426 149113.2451 113201.3203 151759.2706 156986.3741 176525.2963 2-Phenylaminoadenosine 172.5651411 12454.07157 4.07813e-08 939.4536601 24.81152393 999.7263105 2278.164813 4400.189682 1095.842988 162778.1833 152994.1614 90360.40601 185622.6006 89229.07126 88953.0173 66292.53329 96252.54097 134961.0848 109.0547703 8.745276008 0.024503434 179.381994 4.07813e-08 13.82532442 36.47100776 143.0277994 4.07813e-08 95333.46468 110948.3404 156299.4272 75239.62752 175584.9029 105851.0667 99269.48242 45626.00977 117259.5485 95.02547025 4.07813e-08 86.71999468 83.92100182 107.3746418 54.8671625 4.07813e-08 128.8898909 44.48629486 4.07813e-08 4.07813e-08 41.34225438 2786.812914 11510.01689 171429.8274 2139.306972 142727.3245 2539.891357 Nicotyrine 12938.71638 12755.41771 6146.276544 8207.002016 1833.304331 4355.149667 7415.31574 13075.13474 23624.17409 17335.60339 14208.18183 22924.65978 20319.297 14971.15384 26740.58165 26122.92803 28749.52108 63775.35292 3167.151533 1885.086393 1797.948819 1677.390325 615.8910055 2171.099626 2783.507567 3410.256435 1563.588264 63771.19766 26383.33269 32348.50667 46264.71808 28491.3576 38433.13613 30873.55264 30475.01306 21249.70133 17887.93412 2663.863301 1795.663377 1901.169328 1877.62952 1012.272535 2408.991167 4583.743798 1597.842561 1303.927921 8092.781659 6591.111267 7654.449521 9310.838274 16148.80309 7733.600216 37883.85855 3299.118411 Malonylcarnitine 64617.50942 38421.27529 69618.80977 52558.74429 92008.8728 69718.59462 47100.68534 58474.67513 55825.26476 4.07813e-08 41.75756907 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85504.19157 80227.15198 63786.02365 70957.13376 77676.27863 70647.57304 63796.57379 84622.03181 74628.92216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43.8478207 4.07813e-08 4.07813e-08 4.07813e-08 47.45847159 45816.94567 67891.56207 58353.54904 84275.7824 77524.77525 73869.71709 74746.66467 82593.76155 106760.4673 71261.72007 56065.67519 59282.37526 51165.17056 44600.76325 168.8684614 65567.6606 113.4524345 67731.83601 Tyrosyl-Serine 4372.930364 18477.30914 3012.143736 4784.549236 1646.646983 1878.662621 7003.751081 8434.715851 3499.639246 50764.97381 27973.63779 19909.6523 56991.17335 24534.01912 53252.30099 13275.79429 51410.99181 37035.9068 5750.859461 6021.477758 4251.198816 5056.332928 5017.667196 4671.054248 4970.197436 7682.051763 5203.958626 61874.8122 51199.31603 27638.63294 52686.86873 39186.28824 43970.62155 55372.68488 50032.72288 34693.85196 13615.30833 5539.638181 4816.796792 4165.528196 4008.839368 4917.545079 4898.132532 8893.420524 6319.976636 3514.572527 2410.828448 4054.453959 7975.495106 16599.84493 43929.93655 5735.512234 42069.23911 8189.591904 Isoleucyl-Phenylalanine 161117.5868 245311.517 98462.31166 177665.4495 102945.3016 97537.19595 176017.5919 230330.2419 164690.7636 50144.08695 67020.61526 40364.63727 47918.64573 27663.38969 77638.42719 76849.59247 47164.24598 57015.5552 50850.95835 53422.45521 120122.178 53808.9209 61805.48442 53560.45313 63156.62804 63215.53835 58778.59767 30349.43214 53198.10838 33736.51822 69277.28314 40780.295 46213.34659 76771.11674 54736.25285 42835.54128 90970.00269 85506.26091 87526.65313 103752.9795 48770.55045 56314.86992 53830.64417 51744.23305 60408.31434 46101.12516 68098.12491 56315.5071 131867.8959 240582.1267 36240.60665 54666.38527 40828.20019 49013.72881 3,4,5-trihydroxy-6-({2-methyl-3-[({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)methyl]oxiran-2-yl}methoxy)oxane-2-carboxylic acid 217.0049884 136.9627444 22.7771918 80.04721647 123.7234271 4.07813e-08 41.29788663 43.04447808 26.15560528 4.07813e-08 95694.16606 4.07813e-08 4.07813e-08 176.4987922 325.0068551 112899.6381 209265.3846 4.07813e-08 193.2281574 4.07813e-08 4.07813e-08 330.7904583 31.75657481 4.07813e-08 83.32088947 76.80998404 4.07813e-08 161531.5307 4.07813e-08 129263.5306 4.07813e-08 198202.4736 120351.626 4.07813e-08 199831.6307 218.1522913 502.5101538 4.07813e-08 73.67870403 4.07813e-08 254.6906896 386.4601362 4.07813e-08 77.17732619 493.806382 4.07813e-08 4.07813e-08 4.07813e-08 222.2875758 4.07813e-08 4.07813e-08 4.07813e-08 30878.75242 4.07813e-08 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol 24105.17655 7770.900306 14466.75992 11701.06409 10216.80635 24276.9133 38992.26139 19065.34409 21467.80587 2407.659076 2076.651578 2159.786344 1677.311542 2702.555781 1833.087943 3378.521824 2697.595785 2727.581657 4563.463409 3370.14093 5047.166692 6778.024517 4937.931008 4291.066585 6332.801392 5487.933428 4605.332233 1952.292394 2284.604559 2694.3905 2637.931856 2293.066498 3266.760195 1765.695057 2935.160918 2862.245788 16631.22671 8655.98183 12342.02281 5450.534664 5697.778608 4800.155405 5985.614343 7586.819867 3757.593191 6820.627418 6705.886647 16557.30802 15780.59276 11181.07952 5799.845979 8161.400393 6556.646025 20827.69086 3-Hydroxy-4-butanolide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7005.237651 4.07813e-08 2868.240357 7682.362126 4.07813e-08 7269.460344 4.07813e-08 853.5379955 618.4945954 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3388.742916 5442.982149 1373.925039 8618.154588 7688.381004 13878.19697 8386.580285 7410.853909 4203.310799 4.07813e-08 4.07813e-08 0.35258151 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10824.63724 4.07813e-08 4914.774573 4.07813e-08 Isosyringinoside 46641.49765 85408.86694 15137.07273 3465.486223 5737.147296 10147.609 5030.438849 19394.30938 77197.53343 314954.315 387463.3478 568363.858 305785.0891 704276.3894 490146.2833 805933.7831 626900.6501 525396.7611 799.2903775 1752.108836 2600.282071 5736.133477 255.9199398 851.1621731 1041.449452 2213.176352 308.9067243 638470.2671 317856.7786 110324.1517 333714.0105 213695.6515 182213.3043 256125.7774 760787.7674 245535.7982 6590.725322 4059.4218 2817.896176 2038.452272 485.3101151 662.8386295 1490.85124 1505.615758 4.07813e-08 4129.542913 180512.6144 32212.88995 102647.8381 14266.69684 347640.8939 39042.48229 124318.7285 66243.65179 1-Phenylethyl formate 16226.62902 8584.077737 15247.80426 13729.4573 17376.7347 26237.32779 12842.47972 16840.28246 23081.12397 2050.563019 1736.582598 1856.785083 1841.807827 2275.126621 1789.901159 2571.25807 2140.574039 2519.5504 6310.531047 4876.285768 9048.418446 11804.0951 7576.39689 5289.821215 5960.093453 5381.590831 5922.846747 1961.414791 2025.636703 2073.225142 2538.70324 1758.467923 2193.539688 2120.350562 2499.021017 3460.616973 17962.34572 9313.577287 11988.0336 7518.256837 7467.870439 8465.544576 6722.29567 5419.188913 3605.045998 6474.521064 13346.72059 18821.90196 23673.78546 19014.36287 1824.306805 13974.57625 2297.717762 18885.60546 5'-Carboxy-gamma-chromanol 207329.5059 109447.7008 99269.72822 102329.8317 66501.36336 260010.6693 327929.5276 173182.9807 153430.4511 381.5724378 191.5027106 132.2457852 232.9517168 4.07813e-08 249.020559 183.3519209 128.0803219 69.31891436 46527.58877 48742.98023 53948.94992 103544.2791 79056.44015 124299.7629 67774.35519 67369.3773 49540.81031 224.7679715 150.3967924 165.930333 367.8457437 269.1954433 163.0522236 220.748606 139.0522346 100.1683439 194805.9622 87945.254 97329.08385 74263.53583 83259.05792 51966.54259 132700.7491 73690.8212 38756.38619 61421.70963 102565.1839 146104.7903 101816.5264 123336.7387 37703.73784 89910.28944 21506.90829 193620.5589 N2-(D-1-Carboxyethyl)-L-lysine 201683.5517 204309.7301 137532.9943 219401.8312 154848.7267 163436.193 214614.7783 203773.8748 254780.0718 98428.69227 106141.5417 102033.822 104724.0324 83639.42587 126970.9545 106813.2213 98913.85085 135544.0861 114475.2974 88902.29093 139964.9911 84257.54083 92813.87267 77427.59565 94615.65281 108028.6213 83573.08875 169809.1026 156561.1044 115773.9193 153970.9047 129463.108 126002.4127 168479.5245 145226.1068 124332.232 128670.541 116524.8852 148192.9197 136538.1711 95089.69073 88781.70831 78003.55568 119667.7194 80118.70802 73040.94615 104228.2123 103932.9557 165895.7269 187887.5876 124745.381 114935.1307 143544.1305 87646.59778 cis-4-Decenedioic acid 80129.67211 67147.48981 96198.83418 97401.5601 140560.1231 109737.8053 156680.904 140213.0809 95364.88928 22041.93915 8166.508111 29833.55171 20563.63653 20843.34335 13313.4927 11315.27357 6547.550098 57632.91494 148163.5983 266074.0323 62997.40569 141480.3128 307471.8353 315727.2639 248320.0542 186388.0589 266673.5887 20610.44472 42963.98139 16610.91745 31496.96992 15668.68059 13406.22524 43879.64879 9855.521074 19212.11735 127860.2258 137519.1212 60786.08968 141562.1354 219972.2054 227536.268 295172.0961 200431.8165 209392.0057 256143.0311 193033.1195 161698.1834 106287.3452 102488.9646 27642.79535 142059.3344 28747.30476 238455.9004 2-Cyclotetradecen-1-one 135689.7568 47605.56931 79407.67992 98176.85194 73301.33317 55000.5956 67113.89084 70738.40945 70288.87559 53581.76951 30896.41637 28367.73176 55680.12304 48782.54759 32472.41556 74788.7581 70225.81684 42889.84578 82817.4988 55068.64625 52948.01727 57150.61082 83354.41003 67309.28126 90642.61982 39922.84411 108755.1303 46411.41947 78107.38839 82348.97433 73765.47292 34254.40339 59264.04989 27309.01944 61548.59355 77672.37032 72618.05363 65970.46475 81187.93571 53857.0402 57945.55282 50945.98387 54047.04718 105161.1343 60526.50362 59856.50284 88351.44953 59519.25065 59133.86834 73165.97565 69516.77336 57964.81171 45984.92084 92005.43518 12-Oxo-2,3-dinor-10,15-phytodienoic acid 22098.45365 22568.67299 24473.57407 23509.37167 23066.29518 20128.57455 21299.72355 19782.15749 20984.7304 14576.88978 14860.48279 14039.58408 15146.08197 15430.98481 12384.96697 17527.9426 11637.43821 15005.92318 15709.69276 16923.65475 16646.17685 17591.28151 16468.90238 17229.71515 17221.48101 19885.03563 16977.92139 13904.72329 15928.83411 17173.02932 17993.14968 15204.28784 13309.01658 11959.96265 14325.17918 15395.21017 17913.72388 16996.11624 16873.4317 16186.16879 14726.86993 15775.98594 16537.0588 19316.25151 18009.86817 20290.92627 17677.64949 19172.14435 18269.06288 16164.10654 13261.05249 18688.87674 17694.37446 20972.01184 4-Hydroxyproline galactoside 139108.2886 12748.70658 91085.80734 91013.18783 70735.2902 36501.72348 48957.50368 49800.56542 41831.21859 5918.495311 2369.708125 345.2513205 3424.465706 1147.12268 1394.896799 62.4966368 477.4119594 6514.34655 44088.03147 70425.54874 24914.26222 49767.66126 19401.78507 44059.25204 73006.49698 13961.81672 39792.2103 1536.754781 4624.005073 3540.737303 3427.555857 6944.027866 1447.170369 6380.675564 82.6846773 1036.232425 53544.66092 56922.18129 57528.93142 50076.85235 79726.75606 32091.15725 72170.44722 32753.44148 15937.98483 75491.6449 27689.21661 78457.04729 47832.08179 32023.09246 7706.251979 63013.42412 1833.827494 73346.76775 Blumenol C O-[rhamnosyl-(1->6)-glucoside] 15623.18513 40263.48881 8794.246312 31732.56625 3144.920238 7528.009249 8935.089775 11307.43601 13227.85503 75290.9838 77270.62506 71676.21133 76204.12409 68010.98526 27497.3178 21846.78292 28398.5968 15446.93046 1434.328988 1288.362643 463.4621159 4930.811507 1015.108183 755.8976553 380.5059202 1216.287629 895.9817187 34182.90946 63346.71092 29430.50272 16289.5277 43589.21077 53703.08796 35041.95668 29831.84467 5981.314822 11677.18757 10730.15211 5899.094573 722.2275187 2498.213418 996.0410561 959.449695 1529.645087 1122.196441 466.0040164 1841.24488 1567.587024 3762.804532 5013.159565 23978.67042 1418.542896 34373.1826 1214.623443 1,2,3,4-tetrahydro-2,5,8-trimethyl naphthalene 17180.50269 3343.142442 11434.64442 6892.065789 8940.757592 22851.69427 28196.95996 11067.12619 14943.78398 1784.16803 1694.250108 703.3646684 1582.846318 828.4229373 1238.618115 1095.485671 2068.836074 2002.305545 3161.94639 2322.142305 4078.057135 6367.029992 3846.956869 3680.544167 3506.197756 2386.003367 3639.788806 2595.237608 1639.241796 1079.306634 1355.270811 2364.938733 1607.117902 1843.205146 1307.810454 850.0378667 10026.77215 6768.57573 8945.201362 4860.694861 5349.552552 4776.886137 4816.291866 3572.192313 3509.648579 3443.419134 9532.108992 14160.85273 9722.55891 6299.196061 11297.18636 10511.99026 14458.84552 15497.81424 D-Lysine 11364.8755 7813.481808 7378.231275 5967.347 5620.089391 6086.227257 5210.061305 3273.027313 4166.809854 3078.641851 4224.853299 4398.098469 3396.318579 4747.372522 6584.808006 2017.523983 2065.470726 1786.414187 13161.27106 7361.317788 13347.25498 10148.27719 6011.789708 1701.258181 6285.940092 7169.632745 5467.367485 5215.654971 6442.333361 5167.166308 6946.667673 9886.697388 6377.659759 7021.576266 4844.810195 3992.149612 10901.83436 12429.07972 15248.31576 11397.69436 9004.011444 8084.77791 1673.555362 6403.515618 10671.15924 4186.932939 6325.94237 10560.92256 12474.6619 12081.83283 8660.009146 10747.94506 6281.411908 5249.984333 3alpha,7alpha,12alpha,16alpha-tetrahydroxy-5beta-cholan-24-oic Acid 30853.7786 56684.89057 71554.59297 53044.37007 58205.4988 47093.89541 102201.737 46027.11691 27291.04313 7534.066169 7582.553975 20616.3515 9283.068158 27973.31155 28945.14031 4575.108279 25507.40776 43604.12763 43307.79209 34582.46655 87296.91865 46651.23412 84332.35563 48731.92829 81600.56073 116734.1987 179181.0402 3289.191119 49937.22624 2602.069687 9170.180113 6618.698391 3982.475044 7045.28275 15242.3431 6194.448181 36888.21801 76451.87266 93351.62874 75717.90709 47969.71857 67604.40194 46281.70494 96610.06713 212111.6924 165194.5041 65490.70419 59417.51911 59698.54732 36813.95606 12623.23065 44901.35859 17091.60808 81620.00346 Crotanecine 24682.88988 16990.61467 21568.91626 20001.58385 30397.98631 18212.31037 31263.00824 33779.15782 18948.66877 3629.147143 3780.470781 3102.583952 3610.092886 3258.99485 2828.36 4083.742406 3217.902798 4103.723981 34754.7604 72094.15592 10885.03075 25791.38407 73146.75006 105362.9314 62546.14243 45141.4176 54891.44252 3004.869242 3899.69621 3846.937552 3675.473012 3354.819839 3967.616957 3538.31919 3732.947475 4002.182688 30832.81474 39108.55462 14412.0146 27339.63282 33430.30461 55658.30009 98958.04034 45176.2581 47773.58881 68197.06663 52477.41367 30258.03662 20176.33627 11385.20706 3188.907826 29522.35436 4261.201258 59329.90369 N-Acetylisatin 199434.5473 176272.0736 123701.3315 127998.8023 144423.3508 80093.07404 86696.78466 126378.4726 93100.48892 51930.21091 57285.97291 17337.82864 49852.85162 19184.18932 18089.99693 14570.10815 23311.00067 20014.32496 203888.8506 149181.531 134440.0212 187799.574 198802.4348 20659.33336 157765.0353 214763.2247 72521.41067 12691.42231 20730.07056 39553.69658 34006.16257 28490.29625 13542.5265 55117.95311 22938.09331 42741.91555 171755.9567 119110.1996 135893.7646 73180.43059 173599.3462 201230.6189 22213.38876 189317.7358 273025.3854 13822.24933 66847.91938 89763.48417 135553.335 110024.5974 23691.75137 81507.14586 38647.05341 62613.00827 Phensuximide 7502.592988 3703.132386 6014.744914 5578.023441 7210.877652 7339.266181 10671.65962 9948.502609 5679.230346 119.2004328 57.8236591 50.168049 54.30614632 4.07813e-08 58.78393485 4.07813e-08 46.64633344 129.9690279 8279.200663 16727.01979 1110.809343 5344.490348 17474.64817 20257.13222 14977.72127 5496.236344 16694.06444 49.46415313 111.4096702 117.3476996 68.3457311 59.08905805 49.39695479 117.9560614 4.07813e-08 57.31242529 6822.914164 10217.67159 2924.231337 6223.11848 7250.756885 11997.17547 20514.60942 5797.864929 8711.842274 14441.63114 11032.82967 6107.86984 2733.815685 1446.957482 4.07813e-08 5305.605902 137.5488949 13960.49078 beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone 72726.37077 40941.38673 77496.59137 82533.52768 131325.2286 85290.84496 74658.99319 66401.55951 50155.75868 479.2954851 405.2016847 100.6135543 295.5231518 286.4693853 419.6626777 176.3148825 287.3624338 203.4669542 138092.9846 155685.0742 129379.7007 120111.6231 157286.5516 167966.0327 135610.2184 147986.0516 139466.7726 255.4759588 240.0412727 852.2835716 425.2420613 583.0430722 445.0122344 333.8980205 4.07813e-08 258.4677072 57831.03035 94180.80278 84397.4868 137199.6272 139302.2017 121672.9174 157923.0647 140883.7585 126284.9174 98744.98095 83140.83856 96384.39305 84366.22383 54082.26145 749.0657785 92286.86875 411.4224339 122305.5464 Octadeca-9-en-12,14,16-triynoic acid 32295.5092 21952.47638 33536.10326 32926.728 39311.31673 33406.91793 32227.2074 24943.34076 24643.0928 1236.815325 1421.468697 393.4787169 1364.617885 344.3130107 519.3445854 1297.090588 1301.912786 854.622967 68894.188 64656.26279 43393.63403 59460.48909 67899.71076 61561.50164 61650.12741 77143.46905 70689.17406 107.4907118 1231.46203 1599.305839 1012.861506 1298.70568 2050.388075 1423.196204 963.9090331 1992.217414 44865.24826 54699.11303 40800.74432 55818.61719 66354.39299 60663.94414 64196.40755 69511.68202 86037.20703 49358.12191 41332.0845 44605.36572 36026.03771 28584.06702 1162.382113 39108.43535 2398.477043 47287.45116 N-Oleoyl phenylalanine 118285.4508 136698.2426 161104.7069 225555.7032 235500.4564 155841.5727 161263.5479 73448.79819 69315.41516 67517.86769 104832.8856 175031.3401 67329.64846 274017.116 123383.8557 123755.0047 68488.59441 46521.19832 182834.4858 166556.324 137080.1582 165915.825 217289.9551 158340.6125 188918.3665 176183.1834 204979.9379 82301.94443 95774.3915 212407.5959 90230.72812 193361.256 171747.1252 86633.01537 128249.8046 168941.8529 161408.2534 134666.5329 130729.8488 159134.0832 181259.1649 202852.7721 162229.3918 173097.4703 203683.9119 161695.2804 137684.2295 128407.0813 117059.4228 114080.182 134895.6949 150076.599 152821.1169 161250.7651 2-O-Methylcytosine 11981.68213 21351.62048 6249.57423 8193.429934 9706.763647 2914.507826 8475.754261 17129.29897 14382.36838 6734.600982 12675.91983 18903.42223 6253.869635 28114.35977 16544.11703 24353.91997 45524.59316 21606.40132 8347.095669 8311.130601 10125.19192 8387.805871 6239.283397 9647.389705 9472.402688 9473.372621 9877.703013 48118.2814 19044.24965 47646.84457 16680.63664 51078.96554 15916.51971 5075.159805 51420.07236 28667.62677 14993.74129 6437.041927 8550.022915 3582.634758 9369.681582 6772.565853 6386.464164 10480.72171 12882.17411 4205.835123 5685.383851 9523.964532 14007.33667 16843.65261 21834.13235 8944.862806 16397.17016 8750.882076 2,3-Pentanedione 36211.47112 48041.56178 27756.26453 26515.93347 24333.69944 22811.87838 49040.42598 30961.78824 24193.9453 5013.3561 5935.813762 3401.775376 5356.361784 3723.049416 3699.146191 3570.052375 3466.669057 7697.451558 10551.19048 10423.71343 20151.78418 20155.95292 16854.76571 11952.71958 52950.67215 63459.44728 14491.58745 2589.909613 7213.92111 6586.205818 4944.581673 26986.51447 25779.10238 4026.645619 3775.307459 4907.516007 321297.0213 11468.58923 18861.14806 9786.478261 12436.39936 19694.87749 11076.63091 59844.49836 97524.27876 8010.792755 14739.4054 15502.03875 36694.04303 51468.30256 3371.616228 16582.12598 4974.322516 22422.26737 Isoleucyl-Glutamine 99618.37175 176769.6442 47108.64378 114794.9197 51989.60848 66154.85076 119234.1947 150387.9612 214658.6429 59799.20849 64372.97068 54254.03581 53082.94309 38840.06649 87016.13223 71646.81851 59474.60864 50924.84982 22872.89586 25313.68985 48792.45649 21048.55829 32602.98424 21700.26871 25426.3618 22346.92881 25011.76889 55504.12702 62393.92147 55879.33052 61910.42103 58674.28401 50890.78041 94425.69491 87070.30685 87154.09118 41803.47596 39494.3164 36055.62925 50174.84722 16270.27479 20041.38102 23802.6179 20662.27732 16263.16746 25300.582 43075.50858 34017.43699 75815.40286 158971.6223 37912.3962 39511.06039 43644.09692 33859.20626 Leu Ala 72492.03125 103319.857 35824.41484 76774.38568 48468.87576 43196.50162 75969.04764 93143.77739 109225.8458 14902.90801 12698.99999 13836.1222 14567.84346 4590.741934 21250.2144 15225.92167 11311.16863 6976.171941 16794.33072 20428.87396 44517.58033 18542.51653 34767.91394 22605.20966 23976.50017 19697.83359 27995.90353 10679.39787 12413.1022 5845.344469 14986.42993 5225.547428 9034.235356 18002.95193 23988.65972 12272.09918 35025.39709 26301.48344 31695.7658 39685.73987 17108.80976 18340.86966 20980.13442 18080.03642 12988.70894 16384.0266 38430.66196 24273.4964 58553.39225 106129.7723 6472.160635 22646.88475 9306.00703 23858.01158 Alanyl-Leucine 59258.69336 101628.3766 33085.97679 77547.77439 31995.99212 32171.12791 63629.14675 76538.23944 59617.21581 11158.73825 11956.64142 8621.536509 11513.41286 5416.664382 9933.517159 8223.617679 7599.287015 4844.418238 9139.113557 9302.648722 26849.4085 11741.15572 16909.6836 12182.14139 16341.80362 11767.35977 14076.33258 7128.56046 8991.875117 4605.767696 9211.364325 6060.587326 7066.272602 7998.843916 13110.06405 7345.391189 22867.05635 18178.08282 25850.1196 25166.46125 9778.211257 11397.87822 11189.48647 10273.35892 8429.401378 10818.39764 22839.86451 16601.23211 49633.5003 130137.5603 4844.43051 18006.64376 10458.18618 17394.03757 3-Hydroxyanthranilic acid 13303.70653 25433.898 18671.35735 18171.29275 17566.23247 12214.10277 19053.20211 18413.39086 14350.96015 10964.86735 10018.90814 9539.977808 12186.83184 8822.270846 6495.470511 4915.609086 3815.944221 6173.230605 59843.30692 24524.6936 20307.84005 23063.92053 33746.81457 13446.27178 21292.44493 26912.84644 22962.05849 6429.308816 7511.381195 8037.952198 5858.342669 9933.814663 10342.31318 9845.224406 5604.563902 5804.67638 33471.43107 19214.21984 14197.72712 12133.31752 19042.12172 37614.59659 11001.78564 26682.71852 36262.7706 15671.8393 30557.86444 11930.83097 16926.29711 25956.50535 9122.744942 12261.01942 8188.792995 11879.0082 12,13-dihydroxy stearic acid 29166.13631 31315.5383 39193.12443 42948.33862 42174.05948 32020.7403 24179.47755 24266.31783 35609.11523 18985.06219 17697.4667 15305.22081 18629.80324 16614.86869 13512.10998 22884.83631 15457.99795 16358.41602 40821.66776 45092.77528 35018.661 28383.35998 40640.28569 50807.01054 29988.70944 53801.90039 39317.16713 14783.64441 14660.73617 21241.12941 17875.72749 16491.66013 19010.43583 14121.06413 21688.13403 19890.17677 19243.99828 31791.85168 25239.91945 27127.58758 33347.96271 25709.2248 50382.95226 49676.28728 40753.50096 31438.00947 31845.35119 29205.30321 26634.54739 20969.67937 14619.24726 34646.49324 20292.13836 35701.39147 Valyl-Tryptophan 34777.57859 50078.27233 27031.74017 44159.58958 26842.16193 28858.33723 49322.09264 56848.62175 56157.16686 12108.77502 11487.91608 8851.407703 11761.30647 9064.798994 15313.9549 14989.47131 19265.8566 10844.49351 17365.26482 17272.15348 22796.71721 15501.40899 22103.03389 21654.41351 21940.28465 21831.80033 16095.17549 13967.94908 12335.9744 10021.81059 13919.3643 11297.66401 11134.50414 10533.23116 17756.67575 13290.60836 23941.35223 26555.60608 22216.27858 24964.04391 18538.90511 20874.13222 21094.2265 16533.64129 24256.93816 17673.84656 22852.92854 17445.94945 31377.62536 43747.08355 8719.972636 18000.83011 15112.80128 16724.44777 5alpha-Tetrahydrocorticosterone 17529.53305 19262.67503 19398.99713 16742.34436 16265.24194 12169.90711 19225.22787 17428.1648 13509.54775 14727.38402 12430.01055 12974.01945 15893.80514 14203.57308 16075.47399 18764.99985 16789.72324 18613.64743 12328.29695 10799.03029 9106.620831 12269.64702 11115.40829 9235.538534 10746.34403 14346.43162 12830.39113 8490.900782 14856.976 13927.1371 13320.82358 17707.51992 11324.21474 11285.52566 16223.12325 13446.34696 11048.61697 12211.71747 13500.06258 9428.431541 10572.55478 12816.46969 10648.47461 12850.28025 9790.156786 13306.54316 12066.54087 15421.95954 10274.08038 12611.02018 12996.78261 14358.91951 15745.95894 17351.45888 Scilliroside 4201.958282 18069.52036 2425.272459 1115.876274 4374.623593 4.07813e-08 1745.347131 10388.10813 11343.73893 140356.5757 690.6182152 172494.1536 170317.3808 125701.2669 28411.49263 9977.641586 4.07813e-08 3509164.838 4.07813e-08 4.07813e-08 294.4782429 941.0250684 4.07813e-08 4.07813e-08 3050.956893 751.0769888 4.07813e-08 4.07813e-08 254802.4636 16254.38672 194238.059 30417.98075 1602.397094 91725.46898 188.0123398 214385.9964 2976.008595 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10603.22253 4057.018938 17670.2909 10400.61844 149260.5437 6600.9756 20178.94624 4.07813e-08 N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine 116.298658 974.8199123 110.116288 122.8457202 153.3465755 449.0543082 2391.002316 1297.357215 100.575923 124.7742282 165.7275473 55.47100896 114.8069391 49.83559365 74.79442294 16.69292634 20.85291363 9.487044684 155.2656352 5995.806547 213.0686439 1819.14234 124.7268326 2836.069111 23908.77643 73.26646245 77.30179265 10.22755344 34.05987955 43.3771704 13.11730981 28.71695261 50.06525569 38.78807119 52.75282761 43.03917477 73.36211219 3832.704806 462.6614888 145.0836078 3218.022944 113.8309867 3169.544547 140.9784133 308.335149 43402.45884 6949.352157 62.8147641 1387.71501 89.47556498 8.792988983 26.08033507 15.43759027 183.9269775 PIM1(16:0/18:1(9Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1299.194183 4.07813e-08 1000.7663 4.07813e-08 4.07813e-08 21127.38887 1751.429381 834.6977249 3126.613723 4556.870917 77651.14531 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 736.2603365 4.07813e-08 4.07813e-08 423307.6425 20.84070002 6140.800558 4.07813e-08 1928.958077 1676.860656 426.6740813 920992.3282 657.1527594 129.3838585 4.07813e-08 1230.443113 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.176919957 4.07813e-08 36.45210099 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20001.2195 4.07813e-08 7436.534027 4.07813e-08 18-hydroxy-9S,10R-dihydroxy-stearic acid 137166.9941 124455.1725 235655.4118 329630.8043 353038.2192 135244.5921 67457.84084 265945.8636 119399.1298 65489.3336 134377.9283 186662.3324 59279.84823 264878.8229 85099.41173 937659.0658 767695.3458 150578.4752 151092.086 64799.57165 198824.3814 108261.695 253908.4236 122079.9691 76086.34575 132375.1666 79368.27254 231113.5184 89739.68303 269575.7897 54843.50208 86650.84147 65323.65581 72515.82862 562793.2067 164857.0283 90649.02945 128099.2837 151018.3448 220886.5293 146862.4887 139430.051 129295.1411 124589.9923 103754.7866 34601.21559 77841.73392 117533.8753 102001.6083 85450.75243 18904.09736 144107.7735 77517.63736 120173.8881 2-Hydroxymuconate semialdehyde 109208.674 107630.2211 104831.7902 100987.2317 98336.89534 79711.44448 80457.3516 99992.91537 104480.3775 71385.85172 62142.40743 61168.01859 64523.5156 67347.22862 47408.83014 94063.55951 72528.80842 83689.48961 65233.85815 73637.06723 61995.79459 67110.90709 57898.29603 62059.83409 87265.70193 94105.19308 82713.38828 61920.5836 69995.19184 75023.23723 71162.75652 59811.23276 79580.11319 64991.65653 76042.18366 89817.42735 76126.94945 62664.36194 66410.3686 58891.22019 78045.67561 81211.08158 75108.07589 94099.94384 76231.86674 81440.67139 68640.64851 70429.88325 93286.09856 83434.44604 64443.53706 78023.20288 86563.30372 93327.18582 (S)-Spinacine 51641.67195 76098.05138 12016.55256 15138.51043 10026.39937 22715.46162 51528.14644 24205.72144 21465.24643 265056.71 182933.1607 91222.37274 266149.9836 64187.76953 134889.3908 40903.11463 58517.99215 129161.5962 32999.39152 29750.22457 22913.40888 31873.47074 18778.18286 21388.79291 53212.70426 72423.4419 21443.95509 337473.7198 263313.8338 73107.40546 210549.0713 351984.8371 188660.4882 394717.1292 62385.44982 62123.65069 194541.2702 23832.74165 17893.72035 19083.1549 24105.02905 24738.53118 16939.45141 63065.71365 489830.1376 13275.90119 15470.50473 17421.80761 41057.55358 157637.6901 451718.0198 14581.66013 252857.9663 33047.37939 N6,N6,N6-Trimethyl-L-lysine 37895.98887 51060.65529 30927.7049 26805.8201 30775.09928 33034.30638 42596.93499 57976.15881 56906.22455 212721.5219 251079.2003 125677.7987 207413.7191 106700.7051 188076.0337 162976.8934 213964.8846 264709.6798 33822.86894 35100.24165 51087.97929 37502.18008 47136.67003 41525.28525 49363.68665 39080.33734 38561.6825 386984.2362 281145.361 258875.7278 336787.205 245763.5334 168584.9244 277115.9378 176060.8008 256318.1332 101784.7872 30347.58023 59123.11306 52969.16685 37710.66732 41896.93881 42583.7391 43115.48334 24583.28083 44930.46285 42362.53073 73002.02947 81420.66355 96210.49073 200435.7171 76138.43252 410648.0001 71562.12286 Prolyl-Threonine 205127.4407 246354.3336 132329.5919 141622.4491 125655.9416 111520.7349 229243.4798 229024.25 293917.7317 24361.10578 14868.25312 42736.03628 26756.24031 16774.73487 16478.14825 11041.90435 13291.01255 28445.81495 31325.5518 46033.5495 60710.31621 35118.69187 52130.22735 43967.73844 54680.19276 46122.28238 75400.07602 37223.79224 19318.80863 10695.4952 19928.34247 13330.21157 13316.45493 30499.55787 18033.72925 16381.61976 48931.47562 71261.16468 75248.87468 86180.96318 54063.83236 53301.89023 49264.8995 61399.07807 49678.44365 54907.42009 82892.92136 59790.06295 123430.7183 161979.703 29949.17911 70984.60133 42785.79263 63582.70352 Lysyl-Serine 29605.46114 24610.96774 30123.35191 21343.66839 29334.87976 28510.25297 28595.50597 35512.0983 27171.16335 11349.00465 13335.25859 6718.852459 11745.3758 5701.207439 9601.804012 2847.060747 2236.665702 10388.1285 67733.66199 60564.15686 53785.66682 48534.67948 58596.85954 68635.16284 54503.94723 96909.90317 79057.72156 12938.3843 11970.84333 7052.799472 12193.48554 12145.30095 10076.64683 15780.79753 3551.236002 5760.95806 40666.84863 46469.7403 47273.62319 53987.07021 53496.0998 57783.63625 62191.60141 95828.61933 81485.17944 63316.18863 52073.8795 43945.45177 40391.85767 41137.55704 17998.78459 45602.1042 21577.54591 51514.95856 Phenylalanyl-Threonine 54917.60166 67894.78759 43489.35564 74395.8887 44405.37236 37454.78361 80454.60846 64573.10325 71573.87095 17624.4494 21265.16892 18007.95343 16789.79289 11239.23137 23699.16851 22730.37744 21011.14093 18387.54194 35486.7817 88408.08421 30011.4571 33788.59238 80955.9094 98942.53896 64769.51995 57056.31126 69977.51296 18929.75344 17459.26414 13975.27973 23116.38789 19891.70633 17789.48784 20535.49484 16967.35328 17258.33779 36197.0707 48086.36161 24744.87745 56813.77133 42169.24954 64756.81616 83439.41176 61564.18684 54725.25933 80927.07876 87176.60453 35731.35885 39096.52804 56213.24035 16745.33075 30404.65977 18111.76146 77921.79142 Coprocholic acid 767.7356909 8662.123045 21076.92625 8724.525866 7012.343247 17954.32992 31460.52908 1987.328881 4381.433165 7620.275982 300.3397958 38591.24602 8820.638258 10402.2222 46961.31855 10527.0664 3804.210553 8999.902778 22164.11797 3899.114379 21689.99631 17300.44987 17780.04309 16558.19742 11350.76295 14669.54334 3370.599487 464.7270334 20907.2139 14604.51775 42694.59388 1889.00611 5332.45259 73671.34862 900.2938441 4648.403512 17406.38505 20125.29987 37155.61318 10911.32848 19039.07637 12719.07914 8636.012112 12592.05379 171.6458389 17494.41686 29163.3146 46079.42117 10786.33458 7136.507693 11369.33876 46948.89732 17778.19782 1529.346107 MG(0:0/18:2(9Z,12Z)/0:0) 15841.19159 14220.54548 13565.19328 12815.02172 10530.63076 12486.23952 10321.12131 6146.418336 9764.410001 298743.5594 154765.1056 25196.6787 130571.3035 169782.0869 7490.831196 213044.9211 47241.96182 52226.82833 10930.30797 8747.628107 9651.702387 8804.550296 7517.202311 11696.20876 8333.702676 8457.339526 12964.64372 6823.358628 9926.825683 39666.83417 23587.42409 8800.197201 6855.577505 7425.918015 30830.76867 168067.4416 11232.37409 10331.62183 9653.021145 8245.470217 5343.457813 8164.168185 6738.28266 9040.270297 9988.649377 9157.887576 9160.536554 8432.628488 5993.919051 6008.498292 6758.810918 13030.78067 72857.87978 15572.35005 Palmitic amide 361692.263 364155.2266 357826.5305 402434.9249 334486.5411 285681.0071 336778.8695 327280.1676 310872.5159 306176.9729 334155.5655 236197.4811 270418.205 403967.2055 201374.4547 422826.3356 290971.6057 310502.8693 231357.4796 236057.7538 217736.0737 233279.9933 215740.1334 232969.4542 256933.2782 292052.7507 256102.7518 198980.1904 229949.4975 284319.6088 282781.1965 222374.1952 234065.5237 207901.8678 480045.8515 396943.0503 281142.4885 230467.0507 246525.7092 218528.9147 217789.6205 227932.1917 237010.3458 288070.4244 267769.4177 285691.5573 258931.1697 240692.4027 269394.3143 254952.6914 200183.1409 281739.8831 334647.6334 311783.6285 Isodecenoic acid 14325.69188 9483.415009 22677.2998 11116.62611 20544.05336 17867.61862 19545.83864 26455.58557 14220.25636 4.07813e-08 4.07813e-08 4.07813e-08 2.592327717 4.07813e-08 4.07813e-08 62.3172873 4.07813e-08 77.6720141 94831.62733 60427.34071 51199.67327 56630.81107 74509.67846 71973.96188 64116.66489 117709.2586 110092.2696 93.32352972 4.07813e-08 3.808733133 61.78530749 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46877.0412 38559.96064 44362.02202 59405.06274 63356.63873 63988.92799 70372.08683 109735.3832 84442.6202 62144.82061 41506.31546 36204.80451 43122.89927 36065.35389 4.07813e-08 50308.13116 4.07813e-08 34531.62566 Dinor-PGD2 141.7600985 3667.37822 142.3044953 618.6481721 125.9010596 2065.615716 19154.97128 0.122197783 117.0191573 350.5469739 145.3461036 360.5225434 543.6839165 4.07813e-08 69266.67144 363.73669 537.7911481 512.8412905 126.6445854 312.1081656 320.70932 227.5860669 122.4144616 232.093391 2365.866712 550.6546844 4.07813e-08 140.5722446 209.4672255 570.0898839 82.70273977 369.1082919 21106.68286 412.4724791 115.5140855 253.74742 374.9116672 412.4422604 243.3352365 201.5783688 4.07813e-08 185.8812562 64.61788742 267.0761828 678.7108475 4.07813e-08 4.07813e-08 7.417810719 268.2543934 380.9514383 44927.01581 136.2999964 4.07813e-08 4.07813e-08 15-methyl-15S-PGD2 19983.83121 1912.446141 5209.637936 4346.179017 5960.198607 20452.13013 903.187721 4644.043723 10609.04386 86.08909086 4.07813e-08 4.07813e-08 95.43953009 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15190.03622 7472.421194 8737.567688 8801.490989 9287.700141 20703.46278 5348.740121 10916.5257 20374.53348 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 938.936973 40913.95982 6846.467965 11129.41817 11873.14066 7915.713841 6584.448622 22234.67858 9959.42206 9150.963697 6573.979588 7554.106246 3821.594221 4550.586447 4298.343242 122.0516146 4901.104037 2317.934238 12314.86024 Serinyl-Proline 123708.3765 165972.62 76408.5806 110394.6465 90150.98093 69664.15134 131625.3011 153559.8296 162833.437 25503.6078 14913.50647 22624.40505 24995.27122 13510.76779 17155.35718 13651.2855 15102.4555 25246.90093 23405.92356 29523.80398 45328.37422 25862.00693 43916.38889 27954.97195 36205.43832 36948.62733 46328.61244 21654.37061 16855.614 11557.93207 18450.79276 13329.61629 17031.21142 30425.04501 14310.84673 18430.91517 32966.84672 44323.02731 49778.4141 56813.24439 35452.82746 40965.76422 29585.69214 37235.27984 37103.05108 26051.60156 54916.85136 33327.15291 83741.98117 114245.7217 22725.97125 37351.81849 20010.04348 35111.48229 Methylisopelletierine 9472.921018 13366.16865 10046.75779 5903.687736 3831.864061 7197.296086 6959.007534 23180.56596 18433.34356 37.84100503 143.6678395 143.0980117 76.60112989 109.0411191 743.0921076 87.95140588 1001.397094 2240.885267 2098.91524 2513.974253 29848.20475 3148.040157 5125.630948 2685.325931 9797.664611 362683.0991 25056.90119 1020.848733 334.9611055 148.9687128 667.3227272 359.0451659 432.7770508 1074.264615 411.8242008 328.4537038 10934.50772 15738.79707 17571.01675 3274.838077 2043.269348 4700.622251 4966.78902 497226.6713 12891.71341 621.4984893 1285.289545 3382.019714 9323.394415 16302.12812 369.0148876 6255.471012 368.0533745 5882.970073 Hydroxyprolyl-Leucine 2858.177856 3475.329482 3235.095834 2878.022904 2721.281826 2760.254665 2857.985979 1542.275491 2286.141993 31253.71307 15698.06181 24351.73997 31717.32373 17059.61768 32327.08453 26685.81883 34014.1137 4676.384655 4018.185042 3924.981592 3540.004058 3542.5973 3533.264387 4432.545213 3599.155225 4434.463491 4018.532068 30102.33239 21755.72899 3154.686463 18807.06375 4575.582702 19684.38605 29504.35108 26542.83919 17673.49386 4382.05182 3502.777719 3381.337197 3361.077159 3492.890801 4413.138874 3771.905869 5523.687064 4040.411622 3355.218106 2683.705782 3503.80153 3061.597956 2831.510857 9585.382152 3078.982432 2958.681844 3792.405906 4-methyl-dodecanedioic acid 53928.89752 29544.00175 48146.62302 46272.15174 50662.00203 67740.58616 73116.81105 56351.91761 54484.80625 8727.850375 9247.292902 6231.634653 8017.734629 8756.403728 8564.208381 15507.80569 11310.70274 8245.864775 45959.81329 43245.39736 49625.28128 50220.98121 57654.45328 51645.21809 50350.44994 46747.50577 51132.31184 9229.589988 7788.269711 11670.54918 7762.357113 10505.3343 11425.25621 8567.235297 10322.63697 10279.57001 51370.70891 46757.30585 47732.41863 49572.25155 51205.92536 53025.22308 49816.55331 49959.33256 53611.37629 43754.71869 40608.941 59239.76828 43499.61787 35548.25154 17962.94441 44664.76968 26221.9783 59876.04133 1-Octen-3-yl glucoside 24991.95032 20217.63814 24696.6486 30639.99765 30062.65966 22539.84444 20817.6669 13567.71173 19925.70871 3616.221757 4382.386417 3808.767597 4511.434538 4619.535676 3243.144584 3688.605849 3347.778703 4101.700056 31609.89589 38880.49273 27522.28789 30433.50728 57240.94317 29984.86439 29516.04078 26273.54747 23272.34826 2697.410073 4486.0708 8033.824051 4526.787798 5914.634895 4541.246959 3831.592724 6687.874286 6835.216131 19902.35094 37488.04001 24590.6412 35198.37425 36498.68842 45879.00488 25907.87181 22919.58601 50533.58472 39642.79731 24792.45395 28824.64291 20776.59969 20316.87296 4806.54863 23478.37262 5459.790331 26185.47556 Yucalexin P15 369.4932424 4892.238034 572.5936758 620.4987908 4.07813e-08 473.3699691 1258.70301 4440.721814 2588.647141 17739.90919 13571.48572 11648.10805 17152.23974 13486.42331 11774.97675 5774.07915 12407.39952 10162.36668 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 116.2361864 4.07813e-08 4.07813e-08 4.07813e-08 5206.101865 8369.543291 10549.83268 5585.832894 12965.85746 9841.155873 5010.84633 6320.87058 7575.159386 137.6347697 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 523.7295535 969.2600266 752.446518 1937.694944 14915.1252 1127.996849 9187.868356 1788.201964 Hydrocortisone caproate 723.5587032 2200.982579 4.07813e-08 221.9373218 3561.253986 196.9500673 2826.262657 458.3435337 4740.42827 3686.654352 472.0312628 12930.24257 4321.10535 33426.04983 2897.051769 4.07813e-08 1034.698832 79162.47846 605.3057065 755.5911388 4.07813e-08 563.9342252 1558.870372 1120.27466 892.2098747 611.6145983 1249.118487 149.4869638 705.0437461 4.07813e-08 430.6414503 4.07813e-08 4.07813e-08 4.07813e-08 646.7696386 4.07813e-08 4.07813e-08 426.9438192 302.3475426 122.3059679 507.1191858 602.22114 1116.397512 433.1129392 1332.844343 481.1350464 6559.308053 326.6215474 1340.296125 1145.359165 171.2218717 386.7317516 172.9587564 1383.705611 N,N-dimethyl-Safingol 66191.60869 80735.65493 67009.4487 58118.99075 59795.74749 48647.00251 55121.48651 61623.91082 60389.76065 86670.57986 56737.58183 40912.24275 45107.06482 61158.36861 38999.73342 72306.95944 45754.59981 55466.0906 40197.36913 43165.80698 39148.1516 39880.26649 35080.85109 39844.49103 48744.60397 55927.43046 48048.15804 38448.24057 43908.72917 45067.77423 74073.08416 39584.68184 45346.54101 41206.57124 48891.21514 69336.08862 47690.06061 39453.18022 40126.00307 37010.38168 51852.59181 44059.34093 43248.04465 54543.81331 46160.92433 48364.04761 44672.81652 43554.7422 53501.61883 50421.76971 39093.22222 51874.06719 59200.13093 57628.09266 Myristoleic acid 227558.4299 226300.0227 216808.9267 220704.7236 218369.3435 189204.4462 194681.8069 201706.8267 206837.0813 145535.1434 141035.5739 137736.4707 141775.7026 141540.478 122654.6167 178177.7431 129265.1015 154906.693 146457.1954 156481.8249 143590.9195 153289.5232 142865.8087 148044.3724 159883.1957 178596.1383 172353.717 133867.6239 154978.4642 171165.9065 170837.7272 150618.68 147203.1002 130193.8683 157141.113 166208.8842 178941.2136 154434.9154 158800.0372 143860.1258 136945.2161 148417.898 154149.4609 189848.4382 170074.0678 175662.7594 168277.3205 167537.0389 170628.1002 164180.9898 125941.455 169474.3938 178795.5329 207453.989 N-Acetylvanilalanine 10760.57728 5650.472453 10791.8698 9548.405898 10817.86294 9416.590391 12226.96759 6414.296179 5529.016659 3641.542069 2890.0132 4200.207162 3964.045865 3184.779563 5982.013994 1978.403151 255.5263226 5138.98262 34328.69279 35807.45676 21658.99746 25445.38416 26518.35245 28819.98723 26673.31241 30407.96101 26391.8781 8558.627674 11241.16234 4048.393323 6283.714633 8292.229333 5659.966661 9171.000946 1262.238379 4501.476239 24200.90778 23884.12579 24649.92017 27831.44899 33300.88169 33710.44341 27486.61045 31454.23587 35602.38829 18775.23205 17285.22625 21522.98657 18099.5602 16894.27177 14953.15676 24463.14085 7078.029892 21164.98228 gamma-Glutamylmethionine 4.07813e-08 93.71112152 176.1413855 11.33775729 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 392.7812699 37048.03476 4.07813e-08 142.9017721 230.7129717 289.9978692 20513.66734 106.3098295 406.3520529 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 58.41164929 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 283.5445427 211.6350824 1038.836644 4.07813e-08 70.73290532 4.07813e-08 958.9684082 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.689968975 4.07813e-08 4.07813e-08 4.07813e-08 198.8058568 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 143.569354 4.07813e-08 659.9385117 4.07813e-08 4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one 21738.10616 18993.93147 16245.69286 17080.23945 15447.03696 13191.35384 23720.41167 19948.88842 18995.46068 2948.676101 2274.91079 1497.165555 3646.394433 1542.917602 1661.362308 976.5513109 1317.571262 2925.877487 2270.070421 5027.464278 4143.733454 3267.910488 2514.424201 3341.966846 9362.142225 2694.743202 4830.947568 1654.314827 1960.209126 1902.101817 1847.750605 2330.42191 1962.193376 2596.955045 1142.660459 1355.730491 18937.59813 6405.603416 5706.447135 5093.693045 2961.102872 2806.523592 3218.330986 3196.039933 3243.754776 2636.936143 2025.997814 5168.499624 7409.147471 5339.66295 2463.259189 4277.006252 2939.014734 5896.714782 5'-Hydroxy-3'-methoxysativan 37285.51522 19188.46516 48846.99609 58623.88532 79166.2285 54932.66925 44430.37077 31109.95731 36609.35048 5236.024431 3571.660471 3202.766999 4299.569869 2713.02848 5086.647154 1436.383773 2410.941127 4497.490085 68357.38798 52452.18379 133201.0003 79186.90902 87676.46061 90513.21671 63346.99077 57311.57774 56539.98567 2611.498108 3942.803701 2438.094449 2409.469735 4367.129586 3340.001841 3662.81893 2254.653161 2427.400771 31319.72354 35674.49679 51476.79857 88794.6603 76491.66751 75111.53593 84279.78594 52689.41769 52722.79252 153911.8953 39640.8752 57099.53592 34321.29598 29465.99223 3299.603581 46513.75126 2371.677849 49303.28924 Oxymorphone 25819.03889 23429.00641 20670.46507 24340.02166 30746.09605 27833.71845 24941.1511 20599.00728 27540.38229 2621.147024 2516.849304 3214.492996 3560.033013 2830.007442 1571.16812 1739.377726 1664.347665 3343.164661 22215.96455 27815.76753 27925.71242 34784.35658 32831.48693 25550.06608 25713.40921 28958.83664 28355.68048 1682.970569 3140.268137 4007.22634 1275.939911 3738.440937 2989.596318 1706.685016 2303.299835 2762.452748 19374.64318 24147.78504 21236.78592 23452.6924 25297.39448 30060.56327 20637.07587 20553.28588 29751.95801 28242.59989 20334.65383 20422.37903 22635.30709 17874.1655 3306.89111 20604.53347 2790.20735 20579.29285 Lanceotoxin A 46210.02951 18870.69184 28148.50204 14568.31993 19449.63664 29330.77219 29747.08805 78849.85503 53805.51604 159.9885786 218.1593447 116.2343339 201.2657174 7.39515041 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 129980.7986 116503.8867 98843.70132 83135.60915 135852.5779 112259.0039 103385.4003 106839.2217 113791.8873 4.07813e-08 4.07813e-08 582.9973207 4.07813e-08 229.3885029 185.8840321 323.24388 490.1249279 405.4658889 63281.8655 97165.34375 86401.60433 114576.5592 118398.6922 144942.0737 103003.7412 103374.0742 120896.2548 83444.08336 62121.45977 80902.35514 61127.45745 52516.33186 197.5672084 93470.26572 4.07813e-08 82531.98203 Methionyl-Aspartate 4.07813e-08 963.8542991 4.07813e-08 93.09354248 4.07813e-08 4.07813e-08 78.29111411 4.07813e-08 545.26526 81458.74094 76697.6684 24784.48728 72873.98698 28186.17764 31966.06354 33678.15901 32548.4458 46987.88929 57.21962727 73.04406993 0.305727814 4.07813e-08 2.292422951 12.99213094 4.07813e-08 138.5514765 4.07813e-08 34732.87648 30943.61612 57558.774 27172.5881 49223.65333 31367.37808 57539.23568 16993.5979 33277.4845 174.8451134 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 71.73476622 47.1969877 4.07813e-08 90.87137133 4.07813e-08 0.602711088 68.24198701 5.760930285 1239.10181 45308.89205 4.07813e-08 40517.32576 209.3086836 5-Butyltetrahydro-2-oxo-3-furancarboxylic acid 6641.459131 8486.207699 6495.166384 8843.722459 7249.22441 6203.322288 6847.109791 5534.37679 6813.359957 21007.77151 23471.94548 37910.77495 20144.74975 34122.09322 25319.10815 28531.64549 8869.212777 17669.34436 10305.50451 7771.289846 5681.627383 9398.504066 5654.831659 5708.41694 6882.992988 10340.92205 4619.26975 20925.12954 35128.80012 37153.48848 30801.66693 37038.50388 29340.68887 33321.41303 22358.46374 27168.45291 10604.46223 6226.743765 6480.539899 4973.852302 8400.39219 8626.771033 4585.398979 9468.446468 5436.128849 5360.850393 7938.724656 6306.131828 6359.360943 9317.429037 29551.07423 6954.976372 37213.35603 6529.074428 (+)-Muscarine 630.6641026 507.8440312 2538.147921 2663.525964 4433.519876 1946.908272 2806.547469 951.6691466 143.2174262 5.575098004 4.222260799 38.53914944 6.684110574 4.259809625 5.293748054 10.7869115 10.50037847 5.311801106 20603.52044 14673.13013 10774.19923 13130.94742 18077.58659 16178.67907 14566.55604 24819.66901 21803.01854 116.8238211 251.0031227 40.19055583 96.47503122 131.7878018 44.4998706 285.8086809 7.239624576 8.960779996 9950.327405 9530.265147 8314.446545 13662.46411 15050.67002 15554.99868 15957.27649 24325.94795 13800.77937 10874.19501 8352.743418 8224.842532 9245.323395 8036.59319 156.8827223 11369.32981 150.3471539 9425.475837 gamma-Glutaminyl-4-hydroxybenzene 15824.36871 8310.241212 10376.81349 9829.582428 9561.343829 15832.13233 14747.39755 10915.13307 10832.41921 1164.82093 1413.423753 685.3102309 1180.873868 828.445716 712.5441804 890.9722691 948.0957997 1358.424526 14691.63747 21670.19748 8774.788021 14264.63002 20441.44677 21300.86873 18408.4577 11100.90705 16179.10561 625.6631257 809.0298023 923.6592532 632.014557 1622.530359 816.610491 490.3235924 293.3918779 465.1049524 10753.42216 15477.32462 9341.928882 15842.40184 16352.21767 14681.83897 19083.8808 11517.69733 15939.43663 21281.5698 15786.85503 14135.40085 9482.447731 5993.504918 424.6799451 11616.36438 1332.005133 18595.10346 Leucyl-Glutamate 1751.765957 2472.226993 1898.69139 1178.680927 1208.80969 186.2962847 1780.442577 1533.502158 1625.629005 2999.603634 25808.70038 1027.843375 3623.299311 2110.601858 3036.722776 11568.99892 2109.865096 3300.656624 1292.473234 1100.625624 1303.972741 794.8098315 764.1876787 816.6558376 841.0808939 1206.771505 626.0951865 1731.505652 2305.994072 4520.738819 1538.808352 1830.292625 1954.564266 3345.343174 1560.325347 1028.077517 1561.260107 1509.798645 1264.181132 899.3314258 596.0730961 573.6798996 1497.72242 1360.50681 538.5818392 776.3932177 942.9230631 317.5947546 914.4373245 1428.212681 1809.734449 866.4029881 3258.014178 346.652715 3,4-Methyleneazelaic acid 13910.04051 8938.757076 13729.83201 13365.84514 17709.62021 12533.99835 26761.39604 23313.72648 12416.60939 507.0110225 298.4373791 653.4026519 323.4100395 892.6090617 727.7731265 642.3802236 547.847256 1024.24105 17536.68107 40426.69605 6719.921842 15572.36201 49170.51575 58798.05052 36151.42804 16220.70773 22162.77586 566.2457967 659.4371143 1393.88764 910.5938803 1685.851201 399.8679477 628.951162 369.0895558 612.2660482 20639.61598 25215.91556 7645.158755 15959.91622 21460.38298 31122.84663 57378.56998 15543.00285 21580.15917 37997.9715 26577.78589 11311.9824 10092.14381 4878.227583 696.6585166 14460.00965 536.6199159 29350.85639 3-Methyleneoxindole 349483.0047 261160.5446 417706.0754 227961.2083 243118.0158 366801.4217 253259.9817 233022.8986 383446.9682 5723.06674 5069.918812 4864.722736 5219.547106 4676.79026 4643.136802 6032.650623 5457.404848 5524.015208 293755.4505 262019.9157 192112.6856 162604.1024 284433.2289 350781.1223 159435.411 127226.3062 503741.3052 5362.167568 5476.250951 5762.976104 6092.676898 5853.440874 5664.459237 5542.510844 5591.719626 6103.79242 78130.66054 389486.626 272618.084 328769.9976 216680.1513 167810.1195 403633.4652 169636.3839 200904.3837 214786.4915 200288.8018 250929.1956 146752.9683 160718.304 6830.160329 288269.6251 15195.50773 317636.5396 14-hydroxy-5Z-tetradecenoic acid 9385.345942 10018.50485 11746.55185 13518.82739 8622.653244 12127.84425 14593.84709 416.4033266 10462.78639 354.0539696 4.07813e-08 4.07813e-08 94.03159299 160.9436391 214.572142 4.07813e-08 4.07813e-08 276.6452509 17243.69297 17864.73735 14490.21815 19991.68766 16903.17563 16984.7212 14122.54558 855.2404063 7429.148671 106.5165754 146.4703684 102.3064842 281.7801002 52.7168218 44.27868311 470.4869019 4.07813e-08 324.116323 10825.03633 16200.14218 15799.10406 12728.19271 21526.0117 16402.41782 15843.96331 674.087915 7968.202373 21509.74105 9077.833793 13072.8754 10209.80826 9107.187114 209.4426494 18245.71624 58.41112677 372.5827387 Sarmentosin 99592.28086 81983.92292 98179.42617 93312.2459 105123.2899 94274.88955 88305.80818 95620.34069 96138.14284 43482.68381 30400.6108 23714.59641 41844.22209 22523.00574 21720.03866 18676.55095 8651.447815 33052.86858 207732.7613 179590.8888 192222.6786 181751.7421 216825.6034 205753.8733 195252.5362 235466.7494 208288.3085 31328.15038 38919.76923 30823.45405 23012.73424 50581.29673 40943.2611 38501.58379 12001.38115 22559.2424 136690.7218 168091.4408 160672.3774 185127.4318 175692.1749 203880.1365 172202.2399 201026.9837 287165.4262 129528.6976 101626.6816 118685.1493 102353.3765 96714.81218 54904.99781 101821.1287 25877.02491 102134.936 Prolyl-Asparagine 41783.69515 34967.56348 65682.064 38205.76519 60549.4607 56545.5023 69264.55393 67239.26099 59564.56461 11082.37617 8223.812044 8247.046218 15969.18187 6145.302179 7280.514845 5930.631367 6835.262827 9981.526552 24309.8176 74166.24736 19621.1525 48647.48298 109421.2583 144592.0894 96695.75409 54720.74462 143304.7767 10285.30243 8432.5877 7979.02883 6558.007582 8345.783899 7529.586255 9276.935243 7414.712802 8450.29651 37914.13585 50206.90825 19211.56671 48911.28383 76454.79 64652.79899 155326.1781 66095.07361 85380.20921 115421.3323 61509.00522 44196.87118 28440.3432 25948.64658 9700.92914 39826.26819 8418.254318 74750.45676 2-Phenylethanol 11947.64066 9088.828203 37931.34114 5620.039464 7103.209865 5240.987288 33521.86629 47624.1516 7301.32236 2907.076231 2800.573855 2341.708495 2927.118732 2515.477342 2429.001279 3134.137317 3597.120275 3025.211836 11488.06051 5982.51423 92181.96734 12977.3551 19788.72737 28308.32433 11548.54798 5918.837777 6986.277638 2802.878245 3155.901328 3696.903973 4213.177217 3233.146847 6413.793826 4725.575194 3478.026774 2924.358756 17308.64772 15293.06743 20519.97995 18630.91963 14871.36212 9752.818888 41151.54166 5778.468696 10999.75525 24770.40425 13883.518 29492.33744 8428.143584 21445.29292 3241.919176 13575.74117 3478.131606 12043.33777 5-Hydroxy-3,4-dihydrocarbostyryl 584266.9287 408879.1609 543995.5206 297309.5616 506298.9031 762358.9357 720529.77 467900.6776 743211.0994 1522.372091 1119.481637 1310.944217 1294.84118 1378.745597 1557.238148 2072.450483 1368.960787 2057.909045 436819.897 656358.1984 511617.1039 275536.5417 980903.0061 790702.4586 314794.5836 240150.9167 880866.8096 1486.056542 1071.94563 2210.233345 2417.915659 1867.550816 1817.62983 1342.135061 1656.236914 2041.901519 115995.2925 507076.4929 309323.2973 878968.8653 436784.5527 396171.7433 1102227.419 304176.7503 178142.3532 397433.9526 365380.7177 354334.144 332735.8877 271949.0111 2205.536699 460947.1513 23730.35359 625113.631 Sarcodon scabrosus Depsipeptide 3635.657395 3803.371625 4476.793028 3896.531184 2941.179082 3157.082721 4993.793843 2845.96737 4188.985856 15363.74367 17922.14522 13915.82498 16591.81465 29849.0235 24169.05953 19753.18737 65305.07951 16635.83023 4085.468578 3560.032214 2798.278476 2742.287995 1772.187698 2443.52259 3725.73363 4013.360143 4231.804741 35222.68055 17940.34765 17879.35617 19651.31629 26413.56148 12690.43301 10094.37099 32888.34172 37664.91491 3086.818009 3149.47975 2479.433637 2872.148476 3074.379006 3552.42747 2679.756416 3780.464836 3976.052949 2332.211943 2316.652759 2750.152805 2485.035651 2793.670597 24966.0758 3093.844609 5260.734441 3407.773123 3-dehydroecdysone 66169.56858 25453.56164 43007.5321 31830.86854 100761.1329 55905.48831 24361.88272 108387.2401 68496.83299 1547.916094 7914.028832 11722.4925 2624.541706 60495.91085 22424.93618 6545.828921 5968.65059 155023.7347 7023.878875 5909.765174 6354.685471 4127.574892 3224.422078 1962.31745 1347.021024 1160.480147 1594.340333 2313.639391 4088.418591 38.47268188 4636.976854 2407.193378 193.749245 6359.00788 22126.98383 13458.51274 7653.601314 1751.661639 4703.160092 6781.827576 2901.260407 3556.39802 1879.647394 1441.970645 775.4633392 20619.4043 5092.091385 5656.661004 5799.948517 2513.027092 4043.740761 7227.785015 273.893914 14038.11923 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid 473420.8074 242294.7972 175641.1202 275778.7143 471348.1025 66433.36584 65212.51716 175022.0313 70544.93738 170465.5882 172344.1999 185948.6278 167403.989 345992.1164 8363.076038 150410.7283 99883.90436 48280.40818 414480.7826 122176.0061 133379.652 227481.1566 617305.3642 333837.5657 134657.1037 280932.8698 74590.78647 43066.49828 118094.7918 169990.359 20643.62976 151514.9048 29753.84887 31564.09708 84884.43109 75715.69972 206786.8031 235847.9793 132075.7561 126301.0472 299532.9662 409085.5054 353958.119 265181.6589 944644.8038 46496.2773 108910.7313 61931.14631 88738.01293 69009.05731 15289.68368 256996.9743 110796.5531 231274.6927 Glutaminylglutamic acid 106939.4178 82563.6823 162564.9434 244305.5323 291449.759 145058.4652 168625.4401 56349.68759 49945.65421 70037.92342 124378.7862 89532.29454 69957.45808 82551.53985 51383.37962 106931.0042 52527.05158 84176.7653 131825.8008 125576.2948 113926.7614 144674.8286 158285.2604 134640.9754 176027.2058 123062.9821 163870.2307 54615.63746 103125.7326 104368.0217 116894.2069 106470.5337 76392.21917 54529.73503 161035.6152 76942.04215 134546.358 114863.8849 154594.7617 142167.2387 151830.5928 171873.1848 114947.5761 111054.0329 130474.7535 67803.86759 76047.97311 114846.9622 100836.4942 95046.77956 72812.92525 99782.22012 150937.8477 122979.6481 Tiglylglycine 205100.6512 186234.6856 219272.1518 233569.7189 349932.1629 170136.2676 189067.2149 248180.9974 204353.6933 57012.4728 51017.72453 62778.14958 60046.21336 55423.73812 44310.1076 57035.49237 34734.99124 95441.71968 175976.0578 149523.6518 198560.376 174850.2597 243244.7506 161963.7864 225771.5914 504828.3365 427438.7796 66864.73868 57643.20713 69341.28828 64700.28593 67572.41184 79826.67816 67164.86807 50716.48139 60568.60477 245535.3629 178875.0159 175500.6615 220076.3394 222498.6885 169797.425 182571.6712 374022.682 264264.642 128539.1014 119896.5484 132662.5478 222838.5924 206464.3314 50604.13488 190036.2983 61756.70203 153229.9519 Mycinonic acid I 78849.6845 47877.01143 68828.92026 57346.36432 99193.81699 52757.19752 75157.6921 117121.6125 86344.01936 10343.67776 10253.35544 10611.86816 11278.0366 13465.43398 12340.34062 9142.91367 11404.66156 13496.12906 127321.3533 120633.9999 76304.11407 101329.883 209291.4759 134088.4723 119781.0887 248393.3377 183521.3925 6612.912647 12556.60274 12332.30808 9290.545964 16013.65657 8760.052183 8543.932076 4292.06 9927.366816 64930.25292 75525.70278 55930.38313 80234.19845 140166.9019 160573.5335 131227.2663 245540.8788 108393.1887 66802.34653 57839.46619 72104.19521 47884.07863 46611.15077 13705.67167 69534.84664 13161.41624 119926.4818 alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol 128093.3099 64907.5832 146523.4635 77712.50902 133491.814 135376.0823 127716.7772 147051.9435 102820.6434 1425.941625 1527.350168 831.2845162 2107.247808 590.8900752 1014.48549 197.6471967 1587.002873 1172.408866 336714.968 244962.1293 137851.8682 245302.2263 367252.4599 377865.6887 328925.0084 379228.1156 332165.1332 1291.938505 980.2689501 833.4243054 1455.380152 1185.821718 897.7951192 3330.872473 368.745565 1068.218668 190511.2684 156341.4805 133388.7445 264021.8104 276841.3697 334436.592 364045.6775 380535.3578 247417.6546 270120.0097 190320.3948 221344.49 171173.1899 101445.6883 1353.034671 201079.4368 1558.12524 217135.5329 N-Malonylanthranilate 25186.77194 31311.46504 16552.46662 17142.03319 12886.62379 9984.102757 19116.22164 14217.35852 22563.03546 58842.07919 77747.36348 54151.74109 70137.88877 32846.88238 38985.43283 18467.39563 15632.86456 30116.79611 65761.88553 37013.70813 34050.29016 48874.93494 21857.80594 215.0156043 37552.36043 125577.147 4308.96598 34305.8677 52026.32269 47963.05668 37949.93599 81834.0759 40041.34602 50562.07135 17483.64186 32647.49629 43437.33526 22982.09201 38351.575 4829.356228 64313.42387 63054.24015 487.1568315 69772.62525 149952.4934 811.9113616 15859.09869 14218.01869 30066.73726 22894.58427 88406.79649 12409.47692 75381.14194 13339.56962 (4E,8E,10E-d18:3)sphingosine 4.07813e-08 4.07813e-08 304.0777467 399.4799494 718.1634736 1114.220922 362.0658752 4.07813e-08 3129.10588 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 125.2264492 212.4979681 4.07813e-08 4.07813e-08 4.07813e-08 4333.228027 6096.219299 2306.229808 902.8487816 548.4671432 3629.531233 2265.758066 649.0122747 95.35243613 4.07813e-08 4.07813e-08 4.07813e-08 591.749582 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3468.386666 4.07813e-08 1554.950711 440.2858576 81.10386315 1414.206553 4.07813e-08 1506.170053 4.07813e-08 4.07813e-08 2008.891468 7261.864801 3720.598299 4.07813e-08 4.07813e-08 4.07813e-08 3395.514143 4.07813e-08 214.397941 Imatinib 121664.8894 105996.3244 28083.56953 51342.66008 14707.29929 23720.23801 41083.30447 32658.86411 26536.4063 4.07813e-08 134.5721253 525.6844856 4.07813e-08 773.533544 4.07813e-08 4.07813e-08 4.07813e-08 249.9952154 50564.64669 893.9548555 4937.442107 40829.14641 432.9006034 15621.00032 9850.629393 38884.50452 8932.980202 4.07813e-08 4.07813e-08 567.1650304 166.2288394 215.11225 4.07813e-08 219.8309835 4.07813e-08 4.07813e-08 73497.03918 15199.70238 18442.10965 8251.025229 16254.91788 3494.940396 12118.06677 48336.65175 4.07813e-08 309.0067247 7662.541921 6923.590547 13914.57234 43076.65379 394.4144851 17951.68131 4.07813e-08 5692.75663 Heptaethylene glycol 588035.1104 583531.651 608222.9834 509330.3384 570324.9085 496334.8672 543203.318 562308.5201 473103.732 334998.4801 313531.552 316884.5501 406093.2543 364521.1345 335022.6239 477709.0019 321976.4497 392732.8008 402485.354 432448.8681 511350.8078 425994.206 339444.9363 381116.8349 358073.1868 456442.0321 446368.875 294875.1712 382959.0639 410238.9386 415033.3094 396268.2238 314048.949 291270.0827 530386.736 441074.8046 457028.4532 392216.8336 410560.8308 354434.2969 379136.6297 368050.1375 397109.7323 452141.2199 408373.7053 510358.9099 471093.8738 376876.6543 380688.9569 397750.9629 328698.3881 379684.9483 463367.2716 588432.8764 Heliannuol B 9026.523876 5091.355499 8156.443663 6822.105617 9280.74557 7691.948216 7706.733962 5272.681661 4909.047828 743.1075483 614.1481577 263.807815 1073.645991 460.9227166 706.6984539 229.5671715 449.0922972 365.2266852 8971.489541 11210.12441 4329.59841 9165.305606 11854.40293 12894.03447 9317.695234 9955.335225 12966.57422 408.4333588 1033.201242 515.1883596 923.0897814 1526.958719 523.6066368 702.0019266 288.6180883 248.2349725 6465.861961 9173.869226 5141.302324 7737.505085 10829.6756 10671.37979 12370.2442 9444.574144 12252.50733 11521.65839 7511.834438 8419.7254 5744.28644 3832.093675 1342.099767 7408.394795 704.3911815 9351.207711 Quinolacetic acid 151162.2815 282679.2644 145353.6363 198522.6041 205839.4034 128576.2904 311879.1531 303039.5827 214762.356 14903.72929 13983.412 12917.39631 15128.34826 17048.46142 11202.66024 15085.85475 14467.38225 15402.15424 86538.84726 78879.17471 89688.59985 76845.90178 90789.3421 75251.04189 103249.6973 46226.33531 80542.47332 11804.7131 17051.41051 28532.66697 14365.42264 34526.33609 17895.5212 15104.60483 13582.18237 20193.69303 95366.18635 112119.3718 147879.5925 100748.4061 110387.947 102604.069 83588.48594 71469.60958 42434.34365 133565.8763 146248.3657 135238.3566 257653.4643 184003.8933 16308.972 203516.0472 16167.06058 156334.8171 (3R,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane 17891.44002 7358.8018 19611.0006 12769.17729 37506.80203 10988.73229 13635.9074 19801.65058 20357.26757 4.07813e-08 4.773942367 68.62256642 166.6417397 70.38308425 72.40056472 4.07813e-08 4.07813e-08 4.07813e-08 460350.4939 31492.7822 33623.86185 38736.68129 59446.35422 40142.59246 41313.45496 79908.0814 74621.01165 5.569236589 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.51675915 71603.40198 22828.45811 25064.39436 41114.7696 46480.38747 53498.54635 37531.3515 80576.34737 33741.22769 20571.85818 13067.40345 25486.63421 22280.70998 20239.12143 4.07813e-08 34484.71907 4.07813e-08 40290.81928 Leucyl-Leucine 469031.0405 615353.7859 320095.7961 593887.2071 227310.4734 341779.8769 584760.4867 603762.682 401973.7658 44115.22832 51901.59085 41371.92306 37706.18957 24982.09627 60137.11595 52403.20228 60557.29368 42483.61139 64766.05163 64204.3709 238124.035 68694.24117 102912.8676 80356.09299 109839.9421 82421.45077 77128.56991 28659.58185 44625.24066 32106.81217 53084.10684 41655.8071 40028.03332 43220.31104 58439.14156 35647.45585 184296.6859 182037.757 225981.3661 186144.8699 65648.04558 58929.27247 81782.43563 64213.09685 69134.70316 72425.91864 144330.493 99285.31372 279224.3712 577565.4172 25934.20766 86337.06626 49303.56672 79274.2575 Phenylalanyl-Hydroxyproline 3962.94281 1931.34142 1825.446637 1721.412109 2109.992255 432.7745446 1991.560304 8052.378644 5910.018564 3316.916674 2453.527838 1389.691282 2636.176425 2657.657717 2776.372545 1228.200328 13858.56513 18602.06721 795.95395 324.2786803 963.8453003 1153.666307 421.2556264 304.2150157 1070.856366 1119.514414 74.22220975 1067.095386 1398.128478 2114.156806 1349.22027 2375.296024 1186.604802 1032.641764 1084.213218 1693.387531 3285.321735 197.0315131 664.0899761 293.2226145 177.670031 592.2299131 337.0421308 1065.985754 328.8125691 155.2576182 477.2181773 756.3480262 595.0301393 1248.347407 1537.965087 553.3949497 1029.009214 498.3305628 Yucalexin P17 18139.02146 18713.24202 16331.92764 16033.05018 17441.69116 16822.88111 14917.60614 14932.12698 15325.25046 3925.242883 5775.90633 3667.580057 4641.912416 5215.182045 3657.447917 10385.90938 23889.12536 2774.866678 18600.03465 17108.40138 15732.57567 15746.68637 18715.72563 17945.02466 16650.56503 20305.46511 19183.11032 31801.81123 2709.359199 2313.966863 1264.416087 2677.346558 4200.307332 2620.357362 37852.29286 1404.7997 12779.36935 14866.58682 13102.16385 16848.3938 17852.81518 17641.67785 19125.60071 17004.47143 23371.02304 14109.76812 12667.22706 12497.522 12976.87719 10604.94562 1833.181136 13339.42602 2019.874595 13580.05343 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide 8127.505616 15414.52188 9394.280852 12014.431 16121.15923 9741.303912 11187.97929 10989.70891 11339.98519 48555.74055 59105.61214 51606.2323 55265.63605 50111.07866 34934.11752 34982.48337 92098.46477 75612.52636 16415.33386 18889.29759 19950.94064 14328.50982 43615.72115 15510.29518 13918.32315 20026.1385 16732.46296 45883.46316 45404.06858 146123.3203 53951.62763 121882.3534 43979.94271 45272.53552 47936.90268 73680.30485 10208.26333 10231.24083 11430.86138 18547.50149 17963.84312 18110.95101 17414.73166 21391.63001 13517.64377 19945.97147 13495.51065 12151.66925 16423.40035 14410.26809 71449.48541 16926.93919 59205.88419 23273.17011 7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one 7797.088959 8150.227636 19968.25333 12119.00154 16004.72842 36338.62659 25065.08484 22976.58113 22012.78529 994.0445043 745.8192285 1143.525618 967.4707683 1052.797433 1075.881527 1284.725714 1310.99714 1402.326937 15663.16109 35801.44878 27002.90119 26308.15183 26777.76126 38746.81296 24084.00505 11349.04667 4087.996442 887.7498313 1270.338798 1118.507894 1173.280553 899.4219354 1090.304793 1030.377475 1183.39044 1046.609584 14399.43454 14290.31721 16200.88029 20545.53528 35843.69475 13614.89449 30139.02733 10837.94317 2449.012871 59491.67214 33453.93209 44354.717 19011.2846 17503.6701 12226.97872 27829.60394 2957.513915 18902.01575 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 35402.06763 32514.56036 52908.54616 31356.38676 73013.27059 33413.16603 59694.85752 43007.80169 30844.17518 1708.530754 2089.363534 1931.35631 2718.365774 1338.232758 1213.440975 909.9161103 488.7308611 1909.383199 67584.56406 89592.69653 23208.40254 24933.03205 129268.8117 118512.7331 122448.6844 31598.49545 64650.81312 2046.273924 2480.19033 2335.836674 1634.956977 2888.851835 1876.710676 3073.691044 897.4465374 1592.621314 51087.9451 41598.70803 26637.58261 24941.89046 26454.73696 103220.327 98769.8755 33280.69014 22198.70778 45130.58813 44189.76771 19751.99364 39315.95276 17368.13002 2305.798459 27726.50427 2172.504718 60557.72691 Threoninyl-Lysine 9797.461846 7460.456667 11771.85244 6571.080798 11170.89946 10691.36818 10410.42182 12238.378 8646.658785 1623.979585 2612.894448 435.016738 1798.867795 295.6901684 1123.565333 38.17183369 273.744047 2124.452348 39924.76569 33550.95141 25689.62973 25334.37487 33448.44444 39430.26162 30502.29247 60070.07149 49914.22958 1906.067141 2211.280615 425.6483663 2063.684681 2296.621966 1329.977964 2414.967523 327.4370089 125.576541 18925.69607 20488.39993 21988.42351 27438.50415 27093.1868 29970.71562 34006.50073 56525.1799 45377.61888 32265.78796 26557.31769 22613.62886 19946.24695 16339.02564 3885.921583 22334.68941 6297.126133 23556.68405 Arginyl-Valine 3534.515891 3456.027551 3486.423685 2415.03023 2759.148757 1359.761052 13019.61016 4157.717947 4830.361929 0.060155445 77.26170742 60.76061025 3.510660487 1.011546978 4.588328475 4.07813e-08 4.07813e-08 2.685067085 11640.36016 53874.37444 6885.261244 13212.3549 39933.30626 98630.2136 32907.84625 25936.10863 33518.05381 186.8830496 2.287911313 16.02438754 142.6690016 362.0312056 65.49250533 145.1633499 62.44911641 4.07813e-08 14792.61874 30784.14742 5494.70522 15296.66845 17625.68462 26509.36338 87111.78119 27418.76627 21918.98579 35518.33331 25146.32468 12990.95076 9383.855529 5843.561079 104.7915792 12038.69428 2.315921134 70132.2454 3-Methyl-5-pentyl-2-furanpropanoic acid 40270.89079 20922.03417 34013.58583 33604.58488 44499.41127 44335.04225 49287.9697 29319.18829 25605.76498 23383.34245 21965.66328 15175.28287 21831.14465 15738.77605 16262.97425 18877.28835 15568.80642 15233.65019 26437.79481 31541.59996 33048.41578 40945.2155 28574.77764 36279.92427 34998.7442 26309.43474 23565.15975 16098.6702 15638.97759 17935.89692 13944.53829 21296.54261 17927.20232 17485.05003 12489.38866 14494.35376 36342.24107 32341.71903 31671.69949 33605.64939 39640.49176 32708.06968 36509.73556 28255.77526 16252.76966 29583.61442 28717.25997 42162.80462 27774.09333 23531.50927 29259.50464 31924.20393 26077.68985 47908.05675 5-Methoxy-DL-tryptophan 27670.43057 28035.45653 34809.82838 35243.78466 24323.90064 14706.32916 12620.34776 19915.01254 39213.47026 182.1832347 209.2681494 402.3879375 4.07813e-08 100.9537806 4.07813e-08 4.07813e-08 160.9488582 142.0880181 61512.35448 19902.98271 34041.79397 36006.5828 16746.04906 1530.943859 13505.71564 33460.00536 7760.687915 71.16809555 253.7430903 193.1577178 4.07813e-08 4.07813e-08 195.7950801 148.350687 84.67944778 202.9443745 22854.08279 34850.48887 47797.75369 14237.19698 23578.50707 25425.28238 1401.039757 24522.79625 52503.30979 3850.543215 4113.871175 11289.99719 18561.50504 18099.26637 606.8121106 26390.73552 268.6268334 7517.547481 3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid 18460.40119 15653.44068 16831.03771 21240.52205 22769.46438 19489.69781 23114.36096 20176.76834 24914.88343 3061.00358 2291.22686 5142.664458 3616.89392 3036.291373 2479.204881 937.0691083 1770.086832 21586.54511 20188.15905 23861.47551 23397.08286 27435.78546 24576.48714 23033.79132 27571.73241 17411.70043 15299.8556 1402.549668 5387.088368 2251.015815 4000.55277 2084.9329 1854.053515 3712.129778 3274.787086 4894.926635 23609.58416 21570.04021 22381.19095 20014.69984 27352.30406 30933.89797 21369.67956 17516.68996 15503.34805 24935.21478 19011.41891 36797.85697 21934.00227 19417.2798 6138.908219 26206.11485 2750.464704 19738.21317 Procurcumadiol 6884.106426 4659.269247 5509.195743 5352.207948 5981.864306 7008.970373 6638.966455 8536.773548 7382.722651 1763.286667 1306.142838 919.8605795 1701.607174 1320.167699 1171.208461 1869.935376 2199.995321 1685.174872 9470.045361 11008.22047 21598.75 16817.19979 9670.96543 10205.72776 10132.22472 7401.158749 7836.484313 1391.374202 1139.109643 1853.364816 1189.443156 1856.105139 1204.306842 1294.096876 1101.26168 1921.383304 7958.87028 8247.742265 6128.954436 12910.75276 10514.38168 9618.727308 9956.355903 8103.563171 8881.7967 7135.963677 5338.379236 5942.402134 5200.197982 4591.168745 2178.737446 5923.647457 2520.871135 6694.876142 delta10-12-PhytoF 83270.72627 71840.53023 63329.45476 64489.68111 80816.58388 76146.73157 79465.86408 56623.84324 63948.24768 19917.47381 19740.20223 8690.682947 21544.57707 8129.630299 13677.41097 4763.386236 6233.255245 11676.9079 129041.2463 114354.4174 105581.9231 106340.6321 127860.9567 123124.8655 101220.6603 105905.2246 115281.5614 3665.07232 14526.78258 16872.20674 9375.257558 21040.63892 17605.89122 13568.09549 3103.418521 11141.70981 68128.70612 104800.5445 86334.72617 101993.9693 121533.4933 121863.9188 116203.4088 101630.0732 158756.578 82551.26179 65684.84374 73641.23812 72277.268 55704.33999 18220.67317 77672.87059 17333.66125 79318.78914 Serratamic acid 1105.653262 2477.570176 5684.450154 7520.114483 11492.98184 5035.061316 4673.880249 642.2206803 574.1250454 313.6044857 949.3409357 2176.418212 202.4563319 1620.688689 208.6011573 1842.82567 120.0141938 364.1682535 10527.43196 15977.42492 14633.5498 11465.70338 19229.54988 17232.31028 13655.67656 8261.815301 15966.3968 713.789631 2091.103813 2101.934668 2225.300434 1478.673869 1726.914421 1681.823178 1060.783381 2882.891431 6215.849848 12496.36185 6927.090408 14411.23009 15134.78942 19108.84106 15904.77794 8614.394956 13935.63052 17370.55134 11370.65754 9605.036691 9538.330988 6861.766939 1721.117032 8381.142123 1322.067681 9973.961851 N-trans-Feruloyloctopamine 4.07813e-08 4.07813e-08 4.07813e-08 99.38710762 4.07813e-08 4.07813e-08 4.07813e-08 118.1646669 4.07813e-08 28978.08981 51491.06223 27597.60496 21326.19973 57189.82715 14837.58375 62200.60664 44914.54785 41929.8637 4.07813e-08 147.2773423 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 97.72583064 2089.180893 14351.62432 55134.93754 10029.97538 47054.27534 10300.80671 7435.979944 13268.2119 37268.63577 4.07813e-08 4.07813e-08 4.07813e-08 280.8034113 99.87911468 144.8637793 4.07813e-08 4.07813e-08 95.83617762 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21847.28389 152.2930068 25703.897 4.07813e-08 4-Guanidinobutanoic acid 23488.8251 36288.18588 17886.84663 36530.24211 17882.64055 17040.53614 26574.95296 24658.77476 20770.76162 67428.76577 61391.27517 47351.14958 53820.05362 37223.25387 19159.43244 22631.83573 22012.0521 41873.0296 66150.26021 57408.37323 70493.29203 52440.33716 72599.55942 74016.30947 53414.14974 94500.12655 178110.8971 35815.58095 52615.66889 48007.89531 52449.9076 50991.57604 51432.19671 101261.6115 25275.81224 39062.96681 66530.25239 49594.85282 53298.29529 54556.49587 54228.24824 58278.08651 69606.21784 151064.0182 110386.161 61797.93299 65184.93412 45059.39201 47295.12883 46514.25535 65264.50864 49132.0329 68189.28675 49200.84322 2-(2,6-dihydroxy-3,4-dimethoxycyclohexylidene)acetonitrile 273913.3869 165126.5281 301428.8511 361603.1774 564793.0429 124395.0755 228597.8896 273779.2465 181564.9469 5677.83641 4657.480482 6057.632263 5810.155485 4157.52854 3008.88064 2725.532459 2014.859792 3839.375097 393815.6296 363058.7806 136454.9856 328441.9985 474703.9076 370560.1959 350057.4388 520178.9529 551380.569 4741.643448 3770.542666 5492.555754 3488.551861 5978.972229 5855.106216 7102.664838 3103.626863 3569.678096 220661.1475 298906.2973 142207.6809 363615.2396 389105.3704 395588.0182 353549.2584 550012.2604 496117.3327 150522.3358 199608.5966 188990.0917 197514.4243 119233.8986 6701.681471 232734.6232 5014.0329 322508.9993 n-butyrl n-valeric acid 3556.983632 8136.16232 12115.41343 10300.17015 6534.868578 10389.77234 2960.752906 4851.53371 5544.285433 1949.494593 2619.435421 4600.25965 2053.681036 4012.464 1486.351113 2376.07331 485.0792899 1374.442532 6620.995543 5055.947112 11182.79296 3449.857242 3685.137181 5517.995556 4342.525802 36198.39551 8968.907159 1883.372874 2320.715151 4091.037291 1878.590112 3842.068961 4343.58331 2769.107533 2332.08836 5082.500584 5066.81354 6407.660156 6461.153182 7489.895123 3748.644294 4203.350694 5695.014526 43471.07094 2815.808394 9147.427521 1378.330167 4053.205838 2611.442627 7246.013282 2924.168158 5530.834815 3258.508199 2835.693061 Thymidine 18002.96462 31424.51277 22141.80037 14212.25615 12614.25889 12061.54321 11543.46748 67260.77914 37185.91316 1267.849657 1034.692827 16390.84713 1705.410846 783.0192385 2563.498475 206.2282049 1161.44773 877.8295358 35216.48334 24456.61218 22017.76936 15356.38917 15008.24579 26900.20917 23068.08334 8123.554621 11710.1697 2081.709111 1998.27089 939.6911747 4232.991448 1462.285119 1322.854675 1462.322961 2403.118356 1184.508669 23516.46273 19488.03488 17465.64744 28872.71773 27730.476 18425.46656 37254.394 9626.77567 10700.92128 62954.78442 28160.14398 87255.49597 49747.05756 85470.84437 2484.527098 67593.99763 10210.35198 22999.16374 L-Glutamic acid n-butyl ester 5969.997368 8863.004322 6020.185839 6898.167603 6127.11566 6717.719191 5850.002983 6322.654476 7540.952421 18839.9335 21086.42936 20895.01563 17498.2205 18072.23128 14094.6242 17004.67672 7434.55161 14365.46393 6083.910874 6647.611181 5932.131347 4560.120304 4740.569544 5644.788347 4583.807165 7300.76558 5138.477438 11742.10353 21341.67473 20008.14182 18944.0768 16375.2906 13753.3175 16469.06073 14460.42567 19370.17761 6494.042755 5064.023603 6108.774252 4731.639206 3842.770217 4964.254412 4252.94415 7540.561555 4961.380943 4842.29467 6622.058045 5829.991713 5081.63096 5476.360236 13813.06773 5094.091512 30680.57615 4978.201633 6-{[3-(2,4-dihydroxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1531.511144 111062.2542 509.3762245 563.6171696 13289.37052 26101.15512 226565.2229 276648.3103 60.42104954 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 147045.7704 4.07813e-08 398195.1161 859.4018663 232456.2268 128881.6173 7168.014872 182847.6462 160264.1878 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 96.33059155 4.07813e-08 4.07813e-08 40670.57701 4.07813e-08 87696.84092 4.07813e-08 5-O-Methylleridol 30465.80883 14271.36959 22492.22663 17053.42276 24187.60413 26383.46522 25767.12048 19514.17773 20355.64739 198.2990446 122.0945356 113.7847588 81.88152922 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 185.2485004 43491.15698 40253.41916 24455.04504 36161.82336 41886.37121 38292.60979 37291.86347 47725.36279 46275.7868 4.07813e-08 74.70103649 188.5225668 113.4036214 92.41371086 108.7224368 4.07813e-08 4.07813e-08 4.07813e-08 21770.56497 34717.75332 18546.74073 37572.32117 37919.78131 40399.77872 34116.67479 45297.05751 54923.81237 33112.33546 34086.25061 26688.67114 17718.33698 15263.75126 4.07813e-08 23868.77195 198.8379822 31294.13424 Ustiloxin D 2819.644236 6258.69216 3435.467893 2942.263118 1515.857751 2931.536296 4657.650746 10321.51319 20114.60911 23714.42334 29684.66882 13104.9701 18875.49972 7607.635633 49089.58168 40235.3077 26681.11438 15598.13578 854.9931192 767.3968042 2218.936686 617.1201566 363.1626244 331.1709349 187.7696447 1323.753049 493.9503914 14545.03468 23025.23589 17990.94147 29928.00933 14289.09474 25010.94559 38428.46462 32105.71142 21529.31686 1236.677565 756.8178557 1579.594477 946.1032575 305.4464186 426.5578867 463.8583281 980.2797029 992.691485 113.7357987 1501.66373 1370.964658 3602.34431 6416.466799 10094.23168 3939.427485 6516.266589 634.0233337 Ipriflavone 5766.245145 5323.022482 9594.232668 8917.974152 9974.716924 7272.601907 8358.152608 925.7516107 1125.389582 2755.363472 2513.997908 4248.110936 2549.94029 4330.10335 4541.3351 2841.316954 741.6514324 790.3259997 13613.34082 14143.84146 16493.65235 25715.1946 14126.47152 13612.52624 17092.50696 16421.684 18684.9929 2577.917516 4059.249079 2754.798333 11461.68769 7119.913048 6276.487346 25996.30086 2417.979561 2368.037319 14331.10362 8463.309439 9748.091483 19028.60696 15320.91469 16318.64705 11594.39539 15775.23516 21114.09871 14174.0994 14768.30214 10890.94102 11883.18747 10808.7757 7642.403211 11488.83258 5256.990855 10934.81578 Kuhlmanniquinol 25711.30984 19002.3076 29158.85843 29492.69248 32450.67688 32279.50215 23914.02873 37347.41197 33219.86163 1201.048389 624.2152639 397.8026878 1378.072374 706.4479803 4729.020046 204.2754387 1231.553824 137.3117611 46441.08499 56535.35626 63383.49969 48179.74119 46756.61075 61478.69401 45606.81963 51735.24013 59836.53223 811.9077259 121.9981159 271.6453613 371.9604798 361.7412199 1684.984476 490.2695702 242.1136103 348.4132128 24583.4545 42590.11812 36406.3633 53353.30392 47245.06107 40359.37394 49037.11438 46932.69089 52419.23338 48282.7167 30880.51788 29563.2085 25027.11329 22687.18461 1690.270857 31818.67371 4.07813e-08 30343.96682 11-Dehydro-thromboxane B2 40154.65616 31925.38578 32239.12026 36588.97977 43014.75179 43200.61939 44819.32516 37174.81619 38924.74245 15289.43091 13221.07426 9347.160319 16338.20702 9395.11155 12777.48103 1957.259822 9063.978652 13653.09813 137806.6413 131725.0481 107207.8885 105871.8335 145374.662 125038.1229 102232.8565 105781.3926 110410.7385 11322.55849 15481.39182 13381.63021 8066.656311 25750.38892 13109.30093 17776.35809 5316.436335 5933.532014 67429.96287 105103.8832 83111.03317 106095.0207 129327.1048 133514.8375 105919.4888 97465.39009 175731.0926 93791.71535 68195.63372 80886.88241 62622.08879 53851.11903 25709.36921 80080.5917 22691.78467 62924.32633 (5Z)-13-carboxytridec-5-enoylcarnitine 7999.965415 4893.876624 6245.670823 8949.359452 10574.01989 8072.110911 4928.194316 6327.375951 3300.985718 19123.48142 21755.46919 14099.73931 17623.36837 39577.99307 19935.55092 14491.68096 16041.69776 15934.04019 8216.249009 9047.415879 5554.675665 8529.704532 8514.746831 10865.08418 8458.667722 5705.644997 7655.013282 7343.868511 14955.10253 16092.40478 8861.884131 29268.7665 13998.93121 9433.210735 10714.65279 12191.62405 4674.668384 6223.515415 4206.71615 7919.768346 8363.970959 7647.380187 7557.266736 6094.159748 7822.800509 7296.618479 6111.055888 5980.466585 1926.796813 4889.121953 22222.49872 4994.073732 14067.80206 4452.376381 Alanyl-Proline 254504.2415 304318.9794 191246.4014 224335.3232 190972.6481 160586.6388 304848.8692 289020.6161 333396.4529 24613.51679 21646.77943 19305.06642 25532.36769 14294.78961 17441.32399 12992.93492 12125.78873 15612.08894 82577.0468 107596.2176 119249.3763 90949.95697 126010.0911 93538.18133 112752.1384 103417.131 157237.0781 17212.81259 22364.16872 20013.95277 19000.16611 21256.5566 17463.77268 31995.44415 16843.65166 20660.96984 98442.87437 125231.676 123023.3011 145208.5848 115786.2288 112567.1007 103965.2606 113128.1889 107946.2839 109259.3346 99427.16615 99734.71316 157165.7706 227049.3475 23024.68295 102118.2973 22750.20139 88691.56314 3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid 448.8031511 230.9693784 1026.96532 14079.65593 4613.244451 11501.87753 9185.363238 897.5547992 739.4442053 175.0675362 1371.566701 9987.627977 135.8274214 8987.162673 21968.36511 4682.425489 112682.8552 5581.473311 2490.397447 4647.815508 2575.633507 14498.91455 5154.127493 18317.7901 8125.864244 747.6824912 555.9083134 1422.339818 284.8604627 610.7093644 8790.708781 977.5809847 1069.688897 542.920325 12138.50941 23.06893349 1596.233785 1418.534282 1753.210662 9723.914305 12113.47129 3834.395825 14687.84801 818.2035661 807.511983 5813.708645 2461.600878 6027.057159 6717.584688 1034.278795 1524.708905 1704.601487 511.0971495 1922.916524 Pyrraline 38217.63513 40597.91689 24934.71034 24903.78136 20440.93621 23914.25341 39326.34927 39311.88155 46935.35723 30916.34628 36098.95134 50143.28498 31866.04707 23350.76829 44622.13561 43791.10117 6979.709744 43579.89382 68435.0685 62625.93682 57016.65033 48765.61895 63611.76479 62435.21655 60356.44272 65884.19919 67392.39468 47164.26472 31374.02981 16008.58273 23191.39604 19914.55337 56728.48143 105615.6618 20463.59102 23972.96945 42416.92702 59041.81971 56474.17065 60585.26171 56687.81721 61442.58601 57912.01877 67957.55062 24926.85525 44620.01001 40459.8878 49798.11504 50662.96159 54878.969 30019.19728 54363.12197 15752.68622 50681.49986 Bestatin (hydrochloride) 20557.12625 22449.54629 19387.19408 18343.31033 24841.33831 19995.87725 25087.55523 26935.31915 26967.13044 3324.20774 3070.009355 4025.529223 5033.338209 5610.114417 2046.990311 1296.695594 2722.247106 1712.974239 26244.32769 37518.98611 21307.95611 24513.42368 49090.65397 55477.40152 34021.06425 34222.71062 40530.74366 3717.214075 2431.351164 1115.539956 1421.155492 4068.820763 2471.765248 1443.074087 1601.750051 2042.633837 19950.65896 28929.45474 13445.84421 26692.90553 29704.84856 38254.3269 55406.55465 36293.43246 39393.35064 41355.98444 34313.859 23521.80595 21936.08214 31363.91249 3519.529705 21944.3289 9398.802562 39432.06813 3'-Deaminofusarochromanone 200957.4069 162656.0132 186600.7772 192812.262 228515.1814 188204.8434 220419.1556 213667.1078 170305.9974 9257.356338 10045.01276 7496.178378 7189.84684 7163.569845 8921.281014 8548.136116 8403.652633 8775.077979 269959.0985 290301.0722 145534.7179 221168.4185 318746.1303 294454.1055 268656.533 290594.0216 307993.9933 7195.444878 9662.559277 8395.058319 9025.972991 11036.27905 8214.922678 8201.211254 5863.8111 8459.715098 167992.6346 215822.0745 129855.3062 242092.3182 254480.8751 285912.1339 265445.9139 284376.9575 326116.2286 252461.5624 228131.5715 189022.9757 147088.1102 147170.0258 9603.210316 175578.9787 10790.52997 259915.1933 5,7,9,11,13-tetradecapentaenoic acid 13415.84076 10458.23347 20012.91423 19378.58013 24497.70811 17805.27239 19380.53617 14567.1813 12847.06105 741.3309674 528.3598662 439.619782 621.1426445 684.9176498 444.9727902 724.2801235 437.9421063 19.08157178 52734.37593 48962.44708 34053.14721 43417.96381 54453.80738 50877.26533 46533.87298 59157.04844 56055.99073 710.3211716 694.33306 1141.601828 610.6390818 619.5969339 867.7175236 612.2530416 254.028332 581.0647677 32354.15337 40591.00264 30982.4382 41044.85933 50480.48022 47471.34777 45867.16574 50114.53587 77783.40726 36889.99219 27731.57517 28961.52684 25005.97809 19765.63596 822.544268 27974.30364 515.0276699 33523.12198 Epidihydrophaseic acid 47475.6741 31075.4463 43028.21783 40098.60267 52824.38566 52737.29402 56458.28057 34784.32448 29233.26024 8996.918757 7751.291121 3912.580652 9479.30463 4828.38768 9253.873259 5312.122613 4622.478439 7390.023609 80870.9452 82682.49367 100819.6773 78179.76701 85375.74263 87537.60341 73549.94801 79747.66607 91356.09966 4127.264422 3443.814757 5536.92108 2969.858112 6361.222883 5934.255795 5174.963249 6620.399156 5580.532614 50544.91688 64338.24701 50156.67516 71242.84749 78204.66488 80634.44908 80022.25058 82438.23111 98668.1808 66660.62582 46323.00221 51032.69084 40905.86443 34380.35614 7321.931798 50227.5223 4139.374788 57700.35504 Osthenol 6581.395841 9354.723987 4945.391237 15026.53079 10526.48522 4836.936395 7295.318228 10369.82585 4620.735604 25281.8956 29250.8053 31537.21906 28032.58293 32701.53086 9944.877857 24250.9601 21051.76802 24915.36273 1302.988526 964.0922512 1260.202376 2899.057527 1615.065036 1030.505512 3313.938393 2813.066656 1595.70262 19997.86005 23721.2561 44694.43038 16404.48673 38727.0644 28453.94976 20821.4161 14469.65301 23777.87944 24761.54925 1304.262742 1907.344353 1550.978134 1097.130071 1510.915365 1327.209101 2891.905495 2399.114937 634.4273988 940.8303581 1890.478502 5341.896726 7377.473577 31755.33477 2285.707719 26470.93426 3909.259063 Isovalerylalanine 38396.34582 35565.77159 38148.02539 36229.49398 44785.42808 39707.65261 40610.74995 31078.30618 28365.70199 5462.032507 5444.33073 8469.981534 5914.652107 7428.974402 6421.564234 6605.241077 4018.116592 5561.168864 45178.98626 39325.26575 48219.83762 43725.73702 58358.82018 48085.42866 46670.63463 43478.73283 51172.35083 6250.540835 6864.94063 8450.999437 5932.077368 7609.350979 9154.511906 9625.240312 7640.421117 8412.581474 35172.17027 38242.87388 39967.14934 50261.11916 41975.2109 50913.67154 55234.94285 48214.36849 39871.0244 60737.37845 28273.23598 40504.74945 30757.99667 31445.031 8540.422178 41450.00899 6174.872714 37251.74033 N-(3S-hydroxy-butanoyl)-homoserine lactone 69331.18788 56302.35281 66832.04024 75353.26015 82755.51345 58178.0159 57988.21877 48265.45527 47430.34547 37527.85409 35431.50031 32432.38551 34676.22815 28566.55196 29041.5462 23205.59215 16636.59285 38442.78461 95138.47564 82465.71402 72141.2202 72377.2063 69029.61338 69459.22575 93642.71987 86168.26111 67633.12604 32744.6018 34327.51806 36964.54218 32288.39714 42858.42134 39559.87082 47855.7441 22923.3171 31332.7441 85340.8067 74391.26744 67880.24192 67541.63549 66720.81986 87637.90982 72691.28207 93791.02191 81668.41538 83129.51309 69974.5416 72466.15635 61576.63083 72860.3374 44085.50998 78060.82101 41526.56305 79616.81158 8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol 16459.66234 31447.62362 10911.8584 22249.42876 110284.6458 25146.35028 12892.09281 21808.43379 13694.53688 0.765781667 1.656360806 2.268544601 2.934110301 677.1045182 0.104685032 4.07813e-08 2562.284318 4.07813e-08 4259.194417 3513.063075 6969.17245 4133.505144 16589.8565 7965.197378 5321.887111 4.07813e-08 4528.233514 4.07813e-08 388.357325 1127.525962 4.07813e-08 582.6714174 14.4661808 4.07813e-08 4.07813e-08 4.07813e-08 7849.675793 8258.501763 10827.99453 15896.31755 8050.600349 11751.2245 9454.839283 1037.334467 943.2255343 21734.28242 5119.097502 14045.12063 18686.124 21751.79578 0.574359737 21146.75734 29.77039826 7257.711319 7beta,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-oic acid 1336.594632 6898.389873 7403.722416 30582.43286 2572.064364 23944.43954 31608.39576 3330.012811 5835.65383 59377.66989 3940.175302 309702.4801 46769.77146 107253.7397 715285.1275 106036.2117 190791.5274 60987.58437 16272.20204 20470.31112 15482.15424 46008.40093 28475.3183 61410.68863 24927.84139 7538.371277 10983.88271 33663.55291 121851.6548 68673.74883 348458.2029 8446.333921 13815.55312 412328.2743 43445.09748 31673.89759 8628.912816 17593.07001 14894.37682 23092.91446 45848.33857 15275.33359 47410.57891 3971.561661 13696.34006 92456.39636 35238.08736 27962.76049 7965.173467 2627.286224 55650.65755 16804.31919 65849.51127 6654.712032 Val-Val-Val 64466.16505 68118.60397 42718.7646 81373.20135 40239.62948 49531.77057 62565.44351 100048.7219 89160.6435 3464.679761 3278.580866 3353.896298 2609.56617 1385.00706 2640.296326 3385.686952 3664.705995 4026.553854 13371.26694 13103.0446 33862.08331 20981.5071 26209.60052 16739.75377 28409.13776 20951.95774 26089.97434 1472.162945 3170.39174 2012.667855 3547.810173 2683.635393 2792.932515 3211.743765 4506.1762 2239.819188 30991.26465 25636.63937 45796.44995 32930.98327 24582.15397 22093.62528 14340.47067 12077.76323 27453.94764 11148.79648 26476.90838 29734.31073 53123.47167 73581.35982 2223.598703 27844.90485 3366.61405 14909.1134 2-(2-Furanyl)-3-piperidinol 5306.76396 3992.388826 5242.726438 5060.845524 3636.708448 8676.742599 7843.571048 6020.714511 4329.60736 184.0362185 38.18821077 93.09145716 245.2297505 223.8688621 548.6690156 605.5570104 308.4836529 344.3719335 2777.781231 4695.60044 1951.42753 2516.254114 2289.453237 5563.004541 2821.362275 2255.090199 2024.496679 162.1767967 81.22226144 4.07813e-08 377.6298434 55.35604355 478.3008221 523.4535335 444.2075257 452.303575 2099.543912 3142.592814 2300.61784 2578.661632 2909.259246 2574.577066 4951.92949 2041.159491 1469.947137 10033.77122 2702.285423 4602.269282 3067.624554 2605.620077 114.7069146 3683.212445 107.8085757 6497.226322 Phenylalanylphenylalanine 32931.31585 41978.8936 19851.05452 32117.98325 16680.283 17560.16298 31140.06696 37776.04866 34345.6093 9814.016909 11356.49404 11815.05134 9561.208656 6894.815597 12587.44158 7948.122592 17165.54957 11368.02588 7216.966342 8272.933509 25324.02452 11276.03243 10735.52786 7571.465757 9757.61067 11826.52212 10535.42582 11725.15424 10826.65809 7224.283799 13444.64054 9450.738619 8481.352147 10123.49431 20966.85682 6078.150261 17920.82723 15024.60319 17650.55705 15623.54503 6944.812761 8479.334253 5539.60707 10586.08267 11510.7747 8037.035469 13050.43137 10148.32333 20178.28262 43697.87285 7556.115096 8987.76061 16105.11231 8575.428309 Botrydial 13533.56318 10908.64002 16655.96647 17184.08746 25693.33291 16590.84228 17718.36151 6015.538319 9711.727971 5372.361915 2314.137963 7306.965931 6652.462194 10168.59454 5924.433451 6270.871341 1082.630151 4726.957782 21985.39151 24482.3964 20622.25986 18622.06934 18961.8467 23066.60025 22941.13237 34354.75836 24716.987 1625.725498 4280.211729 3626.018231 3802.721211 2800.473063 2008.46622 3549.38121 2154.886307 9541.067975 22858.55362 18495.17054 20984.48876 19457.86377 17931.08108 20616.53479 23495.98193 31891.43914 29338.34601 42858.5779 26060.56688 21069.26247 25067.77596 20698.37755 14981.86483 19497.04864 7475.358358 28297.61476 Volicitin 22237.4093 9435.608095 14785.49662 16891.99538 20073.46969 101184.7792 17029.50524 30904.98311 23396.17347 456.3001761 899.6763493 231.0202872 516.7614743 214.9740866 529.1840579 1178.443952 2503.984613 149.8262087 958.2816995 1960.276726 2091.607631 1395.270712 2129.489273 1752.806348 2150.910116 672.3355221 2725.569716 651.2866699 59.48862595 759.7834208 13.85831958 1119.772845 1168.384823 285.6897828 12.5271603 1182.734831 2275.527093 3873.669641 3229.941317 5611.035158 5112.672508 2526.115803 2454.871172 2435.263323 463.9330397 4742.968803 1199.595844 5119.428836 4954.283024 2284.165562 1317.420373 5510.316605 5458.503674 5612.644481 4,8 dimethylnonanoyl carnitine 29428.12986 21203.98522 21418.70994 16200.07497 17742.48617 17782.67174 20956.79786 30461.89019 21880.27763 16445.14229 18646.40157 12591.99701 13934.52154 17188.11248 27304.42991 6408.9132 14451.09939 21341.81987 31048.25432 20759.2633 29096.33517 26058.70183 34537.77813 26371.99156 31800.74035 35126.27885 36657.43373 17020.85567 21262.81408 18318.77935 23043.37461 26847.82265 18446.40301 21029.07615 21938.07025 15128.63671 34207.96814 29141.09315 35006.59632 32405.07867 21461.84604 35652.6185 22942.63343 38298.08815 23444.35661 17473.45114 17442.72311 29622.31482 26325.65465 28808.08442 28484.45571 28635.70064 17424.44641 21701.52788 2,3-dinor Thromboxane B1 3885.64946 2003.431063 747.6475711 6203.224488 3168.501503 150.1459031 842.6570642 1323.842858 1783.516229 290.0952805 566.0843296 440.8967256 536.051225 1133.06378 4.07813e-08 314.3078245 58.12640958 4.07813e-08 4004.742374 2806.680664 302.3490681 2689.015403 6858.198968 2416.491757 889.7149869 3250.905764 2238.383174 4.07813e-08 91.8266437 483.2595081 4.07813e-08 888.5820404 70.87418736 63.33949024 62.96436109 4.07813e-08 2330.839302 3395.85758 1717.844372 1313.338424 2896.948374 3767.782601 3271.368813 1990.624416 26553.84013 1339.427519 1367.107379 2017.415027 394.8832375 4.07813e-08 4.07813e-08 1455.688352 104.4538557 3350.297473 N-lactoyl-Methionine 2964.268228 4207.613823 3265.18847 3764.464925 3162.989437 2567.658332 2892.156554 1840.426387 2996.404848 13963.37089 15329.96622 19705.59244 14697.43011 24150.48899 13326.59746 10229.55358 6228.048921 11805.13269 3132.108859 4695.786503 2894.326851 2202.551604 465.2092235 3095.902529 2084.441606 4292.496481 2439.954241 8364.737099 15768.78316 16944.84281 10944.64995 15284.62863 11625.66896 13148.30184 8824.615674 10081.74426 3531.196842 2266.909806 1760.795303 1754.937909 1059.483288 1219.830128 1182.970575 4553.996295 1497.492302 1331.927126 3254.918941 2281.916113 1746.284302 3287.715616 10090.71016 1786.114201 12320.70891 2010.404022 (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 141.1132201 1033.871918 676.3350894 4.07813e-08 325.1441862 160.7868158 4.07813e-08 1.364456353 4.07813e-08 26116.66702 28992.10578 15516.48925 27232.92992 23901.49748 15292.88517 42874.25007 26078.49368 22197.04484 362.6360664 4.07813e-08 4.07813e-08 598.3301759 887.9824078 185.600953 330.6048421 134.7403934 4.07813e-08 18417.15106 15020.32886 27918.15132 11175.372 29600.6252 18181.18866 20121.60847 4711.33993 41718.80414 278.2002973 133.3996269 1002.741785 1527.620676 122.7994303 1220.709051 4.07813e-08 300.0524038 954.0384043 530.0099862 4.07813e-08 211.5862066 4.07813e-08 4.07813e-08 28016.36392 4.07813e-08 23836.15564 4.07813e-08 2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid 5009.594188 6580.487984 21356.7196 12498.21331 26591.48758 12130.76443 12668.32908 11985.49821 20252.04986 2655.442915 3745.003934 18536.14245 2071.894169 19139.57067 32647.26224 28886.10053 105761.9 43422.10841 9712.039272 10221.86241 11862.89451 15312.36655 7531.912498 12922.13017 7245.06977 15885.8354 1311.487017 3833.32983 2529.789667 8736.901095 10004.02464 6774.131772 10628.58162 7683.118907 27679.37396 5124.143329 13815.80174 6904.32321 9442.028777 23649.83565 16824.36055 6941.518763 8725.620821 10894.26771 5265.395056 9418.052658 14072.86212 18176.4382 11883.78166 10652.22664 11630.5686 26584.60405 6469.552968 2788.797544 18-oxo-Resolvin E1 3814.684684 6125.7483 11940.74899 11593.93245 7622.027463 17227.40783 13179.92738 1770.846611 22272.79659 478.8149724 215.3685757 387.3542654 549.6102115 348.1660054 1159.16181 412.2547228 4.07813e-08 193.0554825 14272.64105 19168.77397 13266.58271 13080.25256 12114.52406 15361.14106 15614.22236 7485.824547 4336.601027 71.60744723 81.01850394 4.07813e-08 857.2213464 391.7410449 178.4960028 4.07813e-08 81.76306272 3478.328803 11152.56867 14012.60971 9524.863373 5449.085406 17521.82138 8048.974585 15301.57963 4555.015213 6879.782061 9641.934851 12853.97627 15166.5285 5740.562176 3206.061018 227.4579687 17397.59125 1993.146902 3304.138155 Isotridecenoic acid 136034.0529 133989.1845 129793.8964 130257.0522 127414.8728 109749.4741 116449.3055 114901.4645 121491.283 87941.61138 83267.84733 79279.50745 88490.45126 87051.72178 72513.25192 101597.7768 78103.94715 91075.79295 90654.94571 91301.849 86036.06441 88412.30814 83759.13909 87616.33693 93650.99955 107222.2111 100545.804 80120.19448 93557.62246 105135.4337 99136.1674 89729.53301 88704.6375 76656.13447 95992.09018 97118.25253 107049.0131 90945.37811 94977.41847 86862.51346 80516.68114 88689.55782 90034.46106 114384.4536 100321.0961 107222.3165 100748.5091 95314.30048 101683.4438 97426.96076 74651.51082 103014.8325 104845.9877 121572.2546 Hydroxyamobarbital 97017.3687 189141.846 78039.36134 95282.79025 63854.66193 50728.18762 159985.905 170131.0866 146064.3941 24073.17789 30255.97599 16955.92597 27989.08044 7343.796047 14779.56403 10330.32187 10973.1464 9725.97556 25182.68235 124675.4278 40162.77492 35542.41137 124582.1997 193900.9409 105052.2769 62338.92272 108930.9779 11152.20023 13496.46547 9154.972097 14729.5649 10944.89191 9791.321781 20230.71187 12400.96617 14441.51369 54492.5632 82809.78861 38662.04376 55401.23559 47890.83475 66041.80677 164214.804 63255.09081 68195.99242 101984.8003 99018.19513 50702.8635 68895.56301 112927.1864 7968.885967 48430.76164 15147.39566 137514.6298 (1R,2R,3S,1'R)-Nepetalinic acid 17933.82923 18391.34503 13595.03403 16317.90226 16174.11911 10776.83377 11915.26779 16121.82511 17866.54715 7103.684716 8852.344649 10563.3138 7861.111792 10315.56607 13797.91355 5783.891109 8602.955895 8494.145475 12944.28986 12261.45466 18216.95254 12452.16852 13955.42088 8074.960992 11070.31759 12527.62537 16237.22907 4247.038577 6020.556243 7735.637987 6666.852722 9940.861489 7500.643521 7328.012813 5434.471199 7784.101188 8722.123437 9351.363276 11975.02636 14528.30772 12744.54327 14007.42135 7858.66136 13240.1751 24432.23046 7289.480707 10396.63544 10676.89467 11415.35796 16578.74462 8981.345751 12926.82288 8659.052844 7958.85467 [6]-Gingerdiol 3,5-diacetate 4290.369202 5198.314998 2138.06262 6288.347959 10077.79006 3533.433499 5050.288773 8309.205345 5015.387652 1385.136523 1137.979472 195.0053317 741.4356653 528.0461502 2284.472519 173.4511229 415.3149987 785.0320533 12844.63696 6743.356338 34357.5442 87281.96307 93431.77577 3728.288064 3778.318146 19317.2946 15506.23802 558.2883091 441.1460146 140.5534595 593.03575 1406.935286 291.8457992 2489.841136 300.2393208 284.8805782 7852.524921 2981.389031 27725.6548 9944.545125 90288.15365 74479.39456 5417.272127 16534.79062 18937.11149 8673.119669 17282.5945 46456.61298 9157.327433 9537.758758 1245.557296 7430.771041 201.842066 1548.545243 Dimethirimol 1294.54169 2868.287446 3538.284303 402.8362484 348.7326081 1432.064275 2788.291236 1822.408545 7252.903544 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1393.182418 290.6461946 9779.601967 1264.767001 4.07813e-08 934.7554846 1791.591442 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1441.409208 4121.729143 7569.977365 1983.046365 886.7168995 149.0237937 1146.159916 4.07813e-08 500.3719145 1271.514655 944.0127099 1499.152375 2220.040855 2087.642549 4.07813e-08 2197.688183 4.07813e-08 2031.914798 Biochanin A 7-(6-malonylglucoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.45295278 4.07813e-08 41403.93436 35837.08397 56244.62602 43852.89143 28387.3239 58265.3447 28590.42686 52265.34157 38343.46814 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 125373.999 79107.51798 19790.03009 82688.17109 134433.3693 44932.49687 86333.83183 76713.38314 38962.71597 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115230.5085 4.07813e-08 122015.9811 4.07813e-08 Tumonoic Acid E 9235.838835 14963.27549 9442.134805 13301.61316 21736.72367 8310.399361 11372.67108 3540.891338 23303.8005 54056.39646 58769.96598 44561.54005 55649.56309 51820.34682 44370.80134 40586.43565 63598.07601 74464.58328 11502.35571 12990.85852 7098.016633 12618.65775 7859.583189 11770.54568 11029.32635 14356.94572 18069.3127 48630.36654 39967.06103 50129.23193 32397.90822 56700.00261 45094.70759 39088.69943 32187.77182 38400.13249 9180.428482 9057.246565 6569.123524 8435.890745 13022.87558 7977.448023 8087.475516 16189.74416 16150.13121 25148.60702 16853.65454 17227.34721 10841.0815 6329.647329 55502.97863 16033.55077 41565.72296 9328.228569 Isoleucyl-Hydroxyproline 468.2939244 17282.4321 2495.951891 306.8300636 1839.008184 558.2076902 932.3000903 1312.267846 1198.737154 12899.70266 15392.73825 7923.654849 17004.54098 4895.514823 4056.957621 5331.838397 3460.569877 4235.86952 589.7388816 161.3927065 1825.628165 608.8184838 181.5705648 546.0707919 301.5503523 1446.398941 301.1230688 5136.125894 7244.095182 13447.5389 16508.53422 11142.22077 8309.110226 14473.52455 8690.749141 18462.44545 4912.4736 165.185679 1024.218266 277.8941491 257.0099588 145.5677588 4.07813e-08 1249.605665 534.6209191 283.2803272 269.1083654 601.2340393 3145.334029 30338.0167 12975.92478 1595.919222 11640.06009 737.8448624 Allyl acetic acid 18325.32594 16650.23833 12177.03716 14881.63703 13127.76085 10681.13205 12748.99516 12897.8028 10418.68041 5146.406053 4439.703201 4299.574849 4677.543728 4761.659126 4136.030344 6035.793764 4590.57753 5130.789087 9204.002806 9512.322008 11277.22331 13255.68638 9547.116504 8463.814711 14020.33557 22592.76402 9927.770964 4390.487753 5288.457358 5223.486424 5729.410526 4743.019981 5230.535602 4728.23104 5293.387769 5846.828959 28487.85883 12141.19514 10185.31877 8601.088364 8990.528832 15066.30098 8859.647566 28395.42522 15670.65475 7692.778587 7140.194343 9911.455868 15490.63543 27253.78239 4053.828197 9792.130628 6212.778376 8849.891058 1,4-Ipomeadiol 6800.602896 7494.465919 11482.51448 7320.156628 17259.10027 6968.672029 12356.07938 7060.165062 6276.25197 5047.130918 3839.275268 8189.549034 4696.894389 6615.746009 5359.433998 7077.363266 3579.009064 3392.449864 15270.18566 8223.533738 16271.60947 12939.81198 18758.3125 16685.21448 6386.368575 3993.48901 6631.961526 6826.108884 6018.445972 7746.80424 6946.956538 7485.499082 8870.219321 8112.946008 6678.703739 6751.598227 10222.9592 6839.817932 13573.94261 14650.19765 12236.60157 18286.94198 18268.97074 4672.805161 3157.310059 12056.50348 8618.97514 14136.41111 11300.15248 11916.73192 5902.763316 6620.633877 6489.138431 4239.483057 3-Hydroxylidocaine glucuronide 5444.289894 11693.13375 4282.575797 4528.153096 1473.300932 2446.013246 5803.770435 7578.5738 7449.587945 38059.74323 39167.61823 36899.9269 40137.89197 31268.63673 29486.55353 23563.60967 23767.68664 42481.05154 2683.796087 1688.081812 4724.784275 2464.879761 1398.895066 108.7164624 1647.097247 13243.9592 2046.934393 36446.16326 30540.19748 31423.94233 34065.18983 48847.70286 33245.25682 55431.75936 51551.05355 53453.72355 3360.303654 2641.712539 7324.719758 3600.85818 1870.930798 3114.340594 815.3434172 12529.74995 2165.227256 248.4925408 1496.421564 3091.520584 7798.579246 9932.844905 35589.85114 6516.726147 34926.47628 2089.378812 1-(2-Furanyl)-2-propanone 4062.840971 3357.483601 3106.19344 2687.391811 3485.355472 2958.7791 3332.846039 2937.465582 2879.391112 1989.267114 1740.359199 2071.019479 2081.300549 2128.88362 1459.844217 1899.745366 1614.126331 3052.705111 4666.744798 4429.268509 4601.198029 3109.726305 5162.064615 6161.085431 5811.569585 14231.36135 4276.937314 1650.441107 1889.304156 2389.846373 2012.897094 1923.060402 1871.68409 1820.298753 2093.978808 2220.87358 4644.731973 2809.033717 3518.262957 4039.396374 3590.328999 6759.749569 6802.94257 12787.77069 4389.45527 3791.999916 2761.759072 3025.038087 3311.80835 3766.930836 2172.162562 3047.292445 2110.315825 2928.642061 Myristic acid 83793.70993 78221.32627 73815.36953 70635.48001 70354.66087 60367.91328 71766.76878 80375.36756 66475.14461 43954.09332 44143.84041 38677.87337 41097.19018 50021.81892 41041.37516 46912.99654 33108.09393 50540.79258 45501.73832 43913.42128 44977.42957 46905.82666 46749.59527 44841.71344 48437.59843 56796.50544 51427.98512 38155.99262 47677.27618 51744.00775 58320.04901 47263.50161 43068.13848 44531.01709 49993.87874 51787.48108 57736.43351 50579.84228 54918.97608 46165.36798 43630.02053 41964.41328 46060.49552 59160.18963 49479.59509 56823.6415 52929.05151 54478.03973 53618.24003 52635.47342 40075.59484 49870.77241 48874.06402 64769.11744 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2-carboximidic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20239.73658 29217.74584 18777.25343 13784.73827 40721.0479 10008.73893 50406.40848 50465.12308 21411.6213 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2003.659008 10647.57998 36989.58678 8201.759453 28838.28374 9126.338681 4871.769055 13706.62399 27977.01513 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12469.23705 4.07813e-08 13188.39714 4.07813e-08 12,13,15-trihydroxy-9E-octadecenoic acid 41805.29434 48454.21389 77814.48614 66118.21885 178711.4187 68318.43925 38737.60651 36220.00377 32221.43793 60289.46298 54272.05611 31551.54067 59123.98919 35303.92867 74970.42986 33778.88354 38981.01099 28211.60153 50969.33466 41109.00891 40711.59249 53138.09854 56114.30994 55976.32812 38585.83679 42923.97769 37870.95607 21582.56773 31990.50642 36131.21351 28129.41183 35210.73865 43450.4717 49305.19497 35558.32807 25355.6249 54213.51007 40405.2461 37514.8379 34934.75566 33868.66878 53077.11912 45161.66636 40162.64808 61397.63835 30501.58129 29356.88771 31506.15189 32314.8812 38903.87171 27725.34567 38870.51534 41577.49746 37952.21027 L-prolyl-L-proline 79765.32768 68481.69766 68011.81367 64445.47907 65972.43139 64556.45723 78045.16063 69573.14263 90583.81198 210465.105 53177.66112 178961.3947 292507.4719 34635.7394 244257.5367 107072.8159 37173.2874 395836.9412 80694.83573 110091.3485 85055.05571 79496.05156 110043.7497 102222.7087 100170.7473 127009.0437 112356.087 233199.1388 192454.2429 71471.01768 288379.2574 50342.31801 129348.1741 626341.7166 223025.3304 149480.726 81093.89813 87468.84343 70297.57816 107408.0648 86467.43848 100853.9799 96067.98341 118618.6157 126483.2476 108927.9783 89353.3542 92955.05468 84895.12346 74480.08336 194170.7456 90638.69386 180738.3242 87950.21595 Vinylacetylglycine 22855.60642 19165.32249 23010.61158 22915.5791 24410.44496 21459.48267 21039.44226 21835.9657 24257.53654 9419.601863 9816.997535 9068.673039 9711.928363 7602.44429 8360.932554 10752.99746 9065.72035 10116.81082 25604.90812 23320.73321 23031.96304 19374.69127 28059.02494 25346.16374 27688.81557 47086.73471 42939.97511 12971.95948 9460.187274 11929.10479 10753.91245 10898.29765 10603.20034 9519.44242 12538.14802 10974.48404 20282.3306 23690.35277 23821.10277 24882.09545 19331.92621 24792.04645 25175.71356 52085.14019 23718.09952 24207.00101 18645.13292 25552.21798 21091.34226 19188.1103 11503.54669 23658.34599 10951.81392 23605.08253 MIDODRINE 14628.95837 11623.88722 16977.37655 14578.81857 13683.20352 12992.86571 8217.481736 8527.225389 8457.925824 7611.489558 6037.997715 5849.551722 7037.481967 4448.432986 6777.519739 6563.822863 5773.128485 8628.19941 24369.68352 9650.279358 23289.26884 22713.00517 9509.339139 9839.653019 16055.7787 36150.53705 14749.80804 25827.04595 11944.81937 13454.63385 16800.45048 17055.83927 13805.13535 24186.45046 9211.594723 9879.182648 36671.66432 16809.64925 30542.42946 17879.24911 15886.65937 13874.77276 8359.56618 36008.53311 26278.63877 9156.25659 8420.406575 18322.76122 23095.71594 35681.51133 12930.42553 21419.15445 15198.23845 9612.33941 Malvidin 19832.2037 26904.61625 37458.72421 56205.40114 68168.27709 35398.02371 29854.84387 35079.11591 13133.84344 4.07813e-08 4.07813e-08 15.81635553 4.07813e-08 99.08520652 4.07813e-08 91.84446068 58.0701515 4.07813e-08 26793.40515 6855.729686 13452.09292 13747.93448 8548.383581 8178.715361 10791.74632 2531.172779 29952.22605 4.07813e-08 274.2771148 422.4181821 609.3628825 296.4445128 76.18261939 4.07813e-08 335.9267827 234.3860733 36218.47733 32431.79999 39455.23831 35474.69383 45981.59271 38986.57489 32149.39574 23621.07926 15027.38026 40715.95512 23019.27165 42380.95203 66387.19294 57507.14029 4.07813e-08 56182.77151 4.07813e-08 84089.5065 Leucyl-leucyl-norleucine 67457.13923 78650.94072 51909.15232 102271.9476 82225.30878 107101.2117 77853.99513 116582.2591 134087.8935 5768.576178 8629.275551 6877.847082 5380.511813 3766.025909 9642.40599 8036.378187 11289.18408 8212.657661 22449.80305 18232.41626 58584.05472 22614.49582 60111.72061 38809.7412 29389.31195 21755.65114 41808.82438 4853.14695 9419.819616 6564.877314 9170.027802 11094.29349 7325.145122 7977.244556 10523.75986 6741.99014 23194.75274 36819.65437 57522.76461 59635.75185 25374.01588 27452.02329 37277.29823 18187.54301 21836.53522 23999.13666 47761.89602 57009.20662 63279.36908 121009.9897 6472.604844 46038.60612 8122.778828 26549.39873 Nordalbergin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4655.264748 2412.671969 11587.63641 2668.50742 12850.13172 3545.865662 3347.8099 298.2930994 11319.8909 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6990.052918 3919.907991 2499.490216 1909.342852 90.09723583 157.4308642 4.07813e-08 9022.139113 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3246.142486 4.07813e-08 3085.159865 4.07813e-08 Ceratiolin 14050.04783 6169.106825 12069.01053 14935.83249 24308.56102 18265.91893 14671.66398 12407.50071 8115.371542 885.7130042 2642.172217 2970.451866 867.137065 3303.849647 1247.436597 2802.296158 6988.546785 2466.225285 34720.51464 31124.19212 15062.4708 21115.98466 41620.88431 42012.21939 28766.57082 18448.55301 21532.58762 1589.416113 1409.925233 4611.009403 1134.174557 2927.833709 881.8534657 1069.344119 2604.968398 5564.631529 8164.921525 17197.66654 10044.43384 28384.83739 29127.15177 28182.62101 40132.63126 19626.54633 23356.68469 27083.01542 19472.17884 15950.10016 15543.97617 10188.77834 1077.434783 18431.58448 236.6204908 23633.47351 delta14-9-PhytoF 123091.3389 98331.3508 98595.20962 99670.49827 119564.3005 103339.4348 111485.7158 99220.33802 90604.85195 67902.7956 62072.09242 37659.72633 70078.222 40268.11342 70417.80779 23839.71712 34948.54749 35333.05354 194305.4128 176068.5699 175625.0769 157685.4032 180894.5426 183357.1609 161680.6724 209114.4165 172903.1244 28336.61622 44276.31371 41152.89672 28694.34546 58915.17411 40783.28683 43401.57169 24125.2774 26948.59495 122403.809 164664.1995 146212.1313 166664.9213 165805.554 175059.6537 165661.106 189557.7802 234383.3383 119400.7226 103174.8135 119298.3691 111466.3119 100713.5467 53993.9603 129023.5505 49631.00863 122463.4397 Pravastatin 4546.203051 8450.750178 11394.41371 17899.88944 11015.36837 7577.114367 14306.68683 7119.440962 3008.882037 36260.38684 54772.23117 81922.27408 33935.49629 88960.06554 57995.9714 52743.17864 34202.18719 28877.18889 7708.39249 10551.12413 4322.960997 10273.32636 8740.982145 7792.367591 12144.80629 1753.789946 5091.640405 40953.85461 37575.83134 47357.11774 33300.59916 48081.71803 58653.05438 36899.84264 57459.5679 55162.38895 13991.53904 7597.430095 4116.072355 8004.255902 9298.070982 8563.460287 5591.757527 2085.155849 6778.838667 7671.890755 6228.193931 5201.182918 2002.50523 1799.340536 35921.78829 5494.736091 32021.85063 3540.260439 2R-aminohexadecanoic acid 51551.14248 52687.05878 49865.8336 46458.49538 45921.28576 36805.54388 40200.94236 45791.3043 44885.39379 33745.86233 28484.52929 26917.67802 31317.00712 30597.45789 23876.51248 40210.55046 27930.37664 33014.45673 34485.5732 31161.12817 28795.86464 28181.21604 28832.36249 29191.98184 35613.69562 37410.45415 38939.53759 31287.90531 31239.24569 32376.54334 35195.15843 32682.77245 32446.31876 28656.23341 30862.48515 38115.42049 39299.50715 31935.17126 30449.56362 27489.96377 27774.89396 31616.30616 31374.42422 38256.16328 35757.28211 36753.76576 33257.76394 30664.68411 36183.12226 41268.65086 28788.17039 33854.01579 35754.12953 42968.15524 Galactosyl 4-hydroxyproline 899996.496 521840.4876 1000159.661 640750.8716 1538909.261 447229.7267 431499.358 973037.8666 1233333.009 3547.348015 5062.15227 5396.924275 5304.813304 7748.963372 3782.079706 2392.028078 27358.76202 9385.901824 566006.1 592462.2816 439476.8672 259878.2627 327144.0852 466352.1925 408617.0626 426528.2438 596160.9665 8717.600002 6692.38958 3541.721708 24651.0854 7249.888397 307.9386326 2487.635961 11853.61397 17510.42039 206699.4286 434492.9742 371025.8635 622897.1946 698075.6897 477015.7559 635796.8681 618386.7746 197837.7596 1282889.18 474594.6008 756216.3699 590041.4747 521699.6601 4540.743314 911294.773 8063.36549 698912.8744 Carvyl propionate 37118.54979 36417.18098 34975.92949 33393.21803 32963.09344 30024.94461 30935.61868 33882.58297 32698.41526 23041.02243 21160.59333 21308.19142 21397.90023 23014.7894 19435.35324 28463.25995 20949.34223 24833.99389 23305.22927 24231.76729 23427.91924 23827.9262 21525.72696 22304.69111 26214.26759 29452.15348 26904.16947 21444.90118 24259.43681 25948.66621 26437.18265 22540.7601 22693.5877 21321.62388 24839.86423 27512.18048 28701.49929 24118.70926 25335.53282 22270.7994 23269.29633 24564.76461 25541.10766 29350.3371 26799.14666 28168.85241 26475.02601 24253.89104 25946.68359 26555.50705 21605.03846 26781.86853 26637.08149 32229.04307 11-deoxy-11-methylene-PGD2 4044.036236 3499.181985 4326.334811 9174.96499 8384.805547 8848.006957 6279.075701 179.167047 1995.255307 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66.59326841 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23531.02357 18976.48704 10249.18585 12057.68448 7921.027731 14346.0091 5789.209366 4.07813e-08 1039.242583 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4921.390017 8898.807601 4962.486671 4296.873025 19607.43303 4072.851253 10661.94306 4.07813e-08 2568.971344 4625.095096 9409.425731 5339.835092 2631.806932 859.6298656 1242.60667 5921.359971 262.9548237 112.7551706 Janthitrem G 4.07813e-08 2656.202964 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1384.375003 2788.112267 51190.14007 55098.32694 68952.9872 61643.72458 57934.90866 65358.27979 100873.5621 49383.33961 112475.1829 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43532.25531 55770.97681 86492.85345 48825.29461 110185.6655 33615.33309 136807.508 31227.93859 129650.405 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 435.380371 79672.1874 4.07813e-08 7425.823892 4.07813e-08 8-nonenoylglycine 105720.7637 38742.71594 81682.01503 37039.53254 34696.16963 45790.31142 60531.7301 40248.28459 48593.79739 335.2320873 351.837551 125.8747861 398.677891 329.2232542 73.59124749 377.9340476 621.5146105 577.737019 43829.49349 60044.77229 44801.62019 18027.91221 22157.2736 36935.12962 31106.26126 20679.79582 40048.51209 519.4831044 301.7554373 671.0571001 618.265125 384.0963751 196.6253785 414.6057689 318.840416 313.5364435 20185.28273 56444.4684 50742.63227 43969.40679 61652.84875 31229.62896 46359.09752 31011.09066 19340.58431 54327.02033 45402.13982 29233.97293 24782.56274 18507.44191 400.673538 26677.26029 491.2472329 25933.86484 4-Hepteneoylglycine 5083.174283 6579.740814 3358.290542 4564.415113 3960.25588 4126.522339 6513.973426 5352.961731 4399.807737 7927.027501 9693.340215 10858.12315 7715.616896 7749.915331 15546.24987 7868.102115 3260.347693 5572.463461 2714.627058 5051.759478 3413.342817 3628.144267 3147.147747 3561.208755 3097.082657 4298.955779 3316.257978 6864.534678 8416.099532 7912.096004 6737.749654 7919.601029 12168.13977 8541.990655 6422.934426 7283.584286 7140.359575 5871.249338 3466.85087 3607.018079 2377.05631 2678.854305 5155.844012 3213.71592 3525.666525 5309.912032 3197.568991 4178.302362 5102.343454 7021.907048 6447.733002 2874.120804 8438.030148 7976.937247 N-Undecanoylglycine 581414.943 566685.9824 571311.0354 544355.5242 553629.1733 498299.6999 546717.172 513843.4946 565966.2588 365845.1489 354087.6113 348366.0402 361777.8339 432732.966 327904.094 473104.5534 395588.4307 412033.2806 360903.964 384133.9107 374662.9524 386566.5117 371158.0569 373261.1705 414322.9282 448351.9869 422445.9848 397527.6383 411824.4893 433475.3226 450884.5242 376168.7128 373867.4187 328457.9675 832140.0671 423225.8947 471703.6179 414642.8348 425019.986 366246.7538 349367.0497 384638.2545 379895.6431 458084.1074 422303.277 476089.8884 442552.1736 426570.1166 472285.2478 413199.8495 320393.5185 439676.4911 442063.3304 539842.023 3-Pyridylacetic acid 125605.604 513678.1845 125027.2905 148812.5695 152026.4027 77743.13821 204770.0522 191325.6054 129064.4273 210366.7991 210200.6949 95868.46605 224648.4201 92270.32017 133534.7339 86718.41128 73247.33667 121774.4987 51894.40466 44845.41269 57180.90916 49848.85002 50088.90624 39461.4911 77214.1719 38411.50345 48603.68591 202143.1149 293365.4497 97699.88521 173925.8439 181622.1256 184211.8612 267098.3212 88915.8771 118517.4406 299885.6168 61657.76425 108638.6695 55052.72127 61292.42279 59175.45162 49337.8799 54233.45454 34498.79116 91794.20856 94477.92147 79479.83303 173528.6042 267298.7212 170372.2046 115626.4505 207776.0431 140561.4773 Oxypurinol 237696.324 132745.8711 260774.5873 224696.0644 249083.843 203875.9353 195575.8429 311781.82 334414.5733 18083.86223 12685.51791 21398.04345 18538.46148 11400.63711 7174.73305 15403.18267 13363.55643 17363.8307 184280.8183 154896.8386 108812.4618 86154.51227 159967.2643 182974.7366 153019.7035 80372.03032 228986.9108 13735.24094 16022.86977 18877.8282 4204.849219 28820.64844 10764.95704 5014.513146 11695.75394 15218.7307 123649.7457 154143.02 174495.5308 182246.2128 193456.3409 150503.6097 232025.9802 115900.7985 92180.32527 338616.6566 166953.0064 236472.3932 187591.3631 155741.3753 15307.71962 244376.9416 4403.156073 246786.7516 apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)] 126483.628 66134.84848 127491.6042 93548.24141 197554.5253 83259.16012 131783.6218 163727.0431 76788.06873 17761.88283 25127.05238 7028.11911 30460.19162 4836.86791 3261.549377 1745.051609 3777.134218 6389.298924 173819.1407 249117.4641 92675.44835 206744.9083 212828.5592 619373.276 551787.2418 127927.138 91003.96139 1439.999295 6674.400518 21708.46755 11408.01871 9937.974197 4445.525414 33934.1839 1914.680999 22395.60245 235121.2882 110445.8996 54274.10491 128863.6853 231515.0512 224434.0971 616405.1679 145953.2106 95284.27698 163735.7805 244377.8525 138992.7321 136829.8777 120659.8332 16985.10097 159361.2296 24389.39767 225580.2893 Ribothymidine 3778.605098 365.0982796 5302.623011 5428.180755 1265.719396 4645.821828 4378.138966 2609.31179 2267.316177 950.4415933 275.3775034 169.2802687 901.3488061 4.07813e-08 219.97068 4.07813e-08 186.9204092 137.7411166 12602.05829 6250.624055 10899.92247 6295.322452 13954.32955 15907.88972 10782.32434 915.3545858 1539.03982 540.7528033 138.2409216 158.8674975 545.2849308 719.9974217 360.2841696 1268.095791 130.9280277 141.6280527 5779.33035 8626.976171 6168.252515 26491.86249 8839.89295 7697.190554 17219.76069 1585.305455 1723.571174 13861.99117 4642.00631 11160.27592 2149.322025 9970.509573 497.4226854 12790.84654 435.8934497 2539.311862 Indoleacetaldehyde 31810.853 25845.36662 24905.63476 24222.39173 20973.33038 18813.73606 20397.78858 35669.81752 24544.58023 5421.555716 5964.48726 8424.749231 5509.047089 7161.890881 8272.282702 6363.758086 7809.676711 10666.40194 33629.5692 26386.84858 258970.452 40673.14837 24863.29064 19309.9982 21523.39658 26680.32007 27439.16655 11929.92998 7947.281467 10145.5831 10892.90376 9057.039854 8893.32782 8115.804046 9895.52301 9230.375784 30753.3612 24421.53585 26039.96883 40223.45741 29458.18668 22237.71535 19286.74328 28662.10315 17153.83598 23061.07827 19643.72832 28391.13837 31636.05518 31451.93668 7259.055375 28151.06822 7022.463421 27022.38624 2-Hydroxymyristoylcarnitine 770.4515713 1115.383922 4.07813e-08 297.8961878 4.07813e-08 4.07813e-08 1371.255563 2693.076165 870.4020732 8655.921188 21261.02456 20005.6406 7352.845169 56182.21916 43209.08184 21234.33214 93615.40703 45586.46339 121.1635561 4.07813e-08 220.3951834 232.4254905 4.07813e-08 4.07813e-08 2204.590302 4.07813e-08 4.07813e-08 25672.20523 17963.19251 26902.17234 47014.53375 39582.92755 13009.09633 34626.44927 20851.38555 27528.19263 8199.814743 113.7937279 4.07813e-08 109.1842345 4.07813e-08 130.8843409 4.07813e-08 115.254874 4.07813e-08 4.07813e-08 1447.180223 655.9686781 2448.628644 3058.31801 20123.77497 1367.829474 17978.38491 3333.500836 24-northornasterol A 30320.12678 65225.52558 202162.1441 49160.75468 86700.82257 217479.4215 85587.43747 84005.1708 75960.31297 3199.524521 3647.350213 168.7616322 843.0639009 1820.830442 936.5827705 8682.894827 3627.694499 4.07813e-08 131177.2293 105111.5661 213122.2695 151034.514 200682.9883 193232.1326 140433.1012 49346.77976 100970.0222 178.7093503 4.07813e-08 4.07813e-08 1744.789604 511.4280933 4.07813e-08 826.2304162 1838.3227 392.5446641 55637.56522 54224.10623 192937.1239 200332.4971 98602.33791 184726.0382 163907.0297 42106.88283 124593.4547 301855.9861 207278.7402 195420.9641 95112.72214 83221.60359 4.07813e-08 196479.8995 3692.953049 142133.7121 alpha-kamlolenic acid 27908.18183 37281.43709 47637.24896 35006.41001 71668.73256 39797.64337 25198.89262 25819.58648 37719.2681 64704.24196 44074.89629 24133.50235 54274.99665 22440.38822 42640.37652 46873.92495 37151.3107 33334.05042 39879.94077 42000.86582 34567.97039 37874.49775 33487.02808 40335.35455 30980.42371 66599.36269 31081.56428 27757.1832 30039.14201 29202.79616 39000.7336 28214.2863 32966.51065 32891.29082 47634.42241 23681.78905 33143.28049 34354.52953 29087.19588 22876.25707 32307.74663 29446.3776 38020.56337 55311.71834 54134.28892 26950.82365 29020.48539 28519.33593 19348.05953 21656.99033 26503.8039 31505.01008 51933.41185 27968.89197 6E-nonenoic acid 13704.15291 9213.730768 21179.58649 12860.84039 22323.54797 20035.25694 20568.62599 27148.86598 16293.86525 2.787522488 1.543907225 3.202570492 3.52858036 4.07813e-08 25.43660969 45.40185401 3.455348062 0.000662669 81630.74277 54831.49436 50380.43855 54614.66428 71347.40827 68746.27354 61154.79541 85364.66924 76029.58515 6.282885073 3.640169511 34.56280028 1.479419004 0.390530738 4.466939434 3.407614302 2.856928177 0.507221203 44234.32505 42129.09657 43803.90771 66473.91562 59197.33481 63964.42606 61073.34772 80962.14813 63294.99276 56352.52591 41557.73143 42951.17669 42318.6991 31528.5565 2.181117765 47786.04174 2.649856771 39130.39926 {[(3E)-4-phenylbut-3-en-2-yl]oxy}sulfonic acid 27528.4849 15706.10841 26417.29923 42830.23445 34526.9764 21215.48695 25024.76277 20686.1351 33582.37431 10014.32269 8137.352001 15859.79695 10832.19838 21973.6131 12004.78428 23276.50871 8494.339719 16708.74613 39909.28014 41454.13448 41028.08964 50466.5228 43693.46637 37235.96535 39444.04106 11408.76001 17368.62635 17413.37795 10044.20739 46772.46138 14372.83183 19047.78176 13496.0184 32385.16417 18412.14653 27287.32983 32639.75084 24912.2488 32261.85784 39674.69058 54760.74279 47779.34946 32592.8557 12044.52495 13508.71278 53222.32171 30475.08727 50168.66664 37847.51233 30560.55144 36726.48608 55539.16211 10042.03691 33044.73017 Dihydroxymelphalan 93496.23583 82594.28624 64691.68664 62864.39166 56888.38066 49393.20047 127674.4071 90116.19784 92169.9717 17513.01579 15397.27205 26558.30814 19842.1174 14955.78479 16342.85523 12434.23935 27244.16602 10069.12296 47307.20087 170924.9676 37706.26426 59624.51963 157765.4838 299629.5177 131147.8586 90791.47339 140906.8596 18314.27727 15873.88339 13533.39198 13200.96969 13635.98824 16155.54386 23375.28743 23883.81554 14062.34889 64449.38951 111783.1229 42794.61974 72379.6522 75829.55002 89699.83303 274677.3177 89551.06447 117609.295 155233.3859 124466.9253 59631.77015 46069.16421 58936.69673 14993.98964 52450.17536 17653.26401 218463.4499 Neocasomorphin (1-5) 4511.668785 20248.75596 912.5478379 1829.222858 1480.166907 4.07813e-08 7068.132517 8267.208995 15622.95962 68401.4641 93747.44202 60397.4285 68987.706 24087.37421 135027.2963 103587.4608 47773.55222 44223.44118 4.07813e-08 180.5604938 1015.421954 4.07813e-08 4.07813e-08 4.07813e-08 1172.178769 3852.844261 6581.685209 45703.18346 107813.6406 39378.37331 79133.12168 53639.16978 88621.40573 141105.7082 58438.88457 70430.24989 4133.921619 865.4583139 609.564395 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4643.699806 4.07813e-08 4.07813e-08 4.07813e-08 266.9855091 2461.197345 13243.72906 60449.94698 1612.705551 21812.72946 4.07813e-08 Propoxycaine 4165.274318 5352.929704 4654.316609 8646.891283 9102.233254 4302.635269 4050.909346 9356.493491 7216.200754 4923.505007 3817.591983 4141.90089 4415.638845 3800.047599 3139.733792 2406.026144 2846.296862 3033.143516 13020.67832 7223.452608 18852.68261 7831.942129 11597.20598 11371.71218 6919.763981 8804.841145 7785.111953 4723.076183 6237.57883 3779.080597 3982.862993 7175.427869 4445.180208 6622.188231 2876.404014 3716.264764 8716.842812 8078.719517 9964.846596 13304.55828 7493.387859 10648.12767 10538.43987 7919.094208 9054.204062 5739.308415 5097.303275 7519.839356 6352.092842 4924.910126 9413.273104 8067.918515 6342.266736 3941.779229 Histidylproline diketopiperazine 563.1633822 2466.558488 27.30608642 967.8513325 416.2446559 35.81824421 1932.161865 2121.049134 1213.654811 4.07813e-08 23.71782443 7.920962175 10.77915607 8.807020919 4.07813e-08 4.07813e-08 11.72769621 7.393300835 89.52660651 13163.96897 4.07813e-08 706.8043782 1131.106907 1904.567512 9684.794833 1069.007875 2731.137298 4.07813e-08 10.32171703 12.27193874 4.07813e-08 15.71115393 4.07813e-08 4.07813e-08 13.55552916 4.07813e-08 79.49594459 8669.548851 4.07813e-08 1069.283448 992.8316692 662.7471748 2109.808904 850.6798503 6147.894333 1416.969892 8026.920042 995.3983941 4.07813e-08 4.07813e-08 18.37406856 29.62596821 4.07813e-08 5185.315675 Ritodrine 29312.2693 18662.23514 24770.10245 31985.92144 27726.16845 87462.17658 29572.44668 39017.05315 17737.69204 3536.564209 3511.234758 2245.997402 3371.060246 3271.501181 2689.95322 2649.859762 2291.56232 3824.458203 23456.054 18897.2581 22094.72802 18730.55548 26329.89889 23592.75201 23334.43376 20451.17698 21401.74459 3041.368147 4199.976169 1944.153435 3171.818091 4172.082466 2787.207611 3424.331144 2658.369869 1586.522022 16801.63392 23401.63073 19247.83345 22675.1618 26654.83937 23876.48289 27943.0573 20431.03042 22543.1553 29231.27596 11647.59488 20511.39471 20895.83308 15113.18062 3675.3889 21241.31443 2061.498343 24656.77105 Quercetin 3-(4''-malonylrhamnoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30514.01738 13106.11967 685.9849408 20807.6821 4.07813e-08 14187.71186 4.07813e-08 27169.03851 7022.892518 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15117.5099 23039.03001 404.1021001 17622.32322 14145.36475 11524.47275 12414.57055 4346.237607 921.3878698 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14764.38498 4.07813e-08 14220.41991 4.07813e-08 Diacetolol 4482.913704 5818.348835 2966.636588 3532.285254 3944.385924 5348.821118 2960.223842 2982.473339 2037.734112 8797.119939 10658.67392 8667.535073 9160.6756 10836.73358 8068.5354 5586.419281 9125.601095 4755.833926 7300.949131 4342.394976 5436.870352 5949.82821 5901.891956 5401.177605 5791.452483 6714.682766 6185.797494 8028.511393 11477.96116 12886.51586 8068.446722 17212.75961 10720.15363 6930.959402 5877.14427 9430.858225 5478.494977 3686.030086 4298.52701 5300.12144 6840.064927 5824.714847 2699.452401 5796.798524 7062.474159 3618.928802 2742.82189 3866.71323 3935.000908 4415.307441 14740.8007 4740.247106 10541.43469 3148.417048 ent-Corey PG-Lactone Diol 28207.1838 19475.92282 22963.80702 24655.88948 25705.55728 30471.86994 29171.72752 26007.7292 22144.28639 7008.461255 7618.722875 4218.760074 6696.297949 4419.005432 3969.946092 7280.08015 4336.105762 7390.573089 36598.06641 29706.73361 30386.68072 30858.14431 32367.84252 42892.30321 31888.54898 23238.9581 31996.0658 3618.216438 4811.502469 6903.63844 5434.305155 6876.741787 7457.312968 6047.934855 5090.413968 8189.050613 31028.90394 25707.51897 20481.40702 26282.05271 29080.59722 31825.12113 40852.59211 25222.67074 28721.66745 31922.59445 25112.75816 26443.5284 20843.89335 17079.31436 6222.573932 23140.94888 8479.3637 32615.72848 Gossyvertin 28199.76684 20400.08569 17317.78823 20039.34315 18490.02021 14979.21726 32813.41772 31137.99371 22684.05878 49.59211284 274.3969929 55.26650714 4.07813e-08 112.5548288 4.07813e-08 4.07813e-08 98.58438517 205.7337723 14743.78701 13546.99629 7474.304953 14673.82656 7975.32185 11580.05641 19005.5415 17553.22915 13817.14644 38.44925976 4.07813e-08 147.1679361 4.07813e-08 101.2392086 4.07813e-08 4.07813e-08 247.7910443 4.07813e-08 13440.77516 6077.686264 5313.77934 10040.97167 16213.82586 8213.703664 9774.516009 15175.80803 17442.77667 5241.910297 13436.68933 8562.106887 16252.63712 13649.6021 10587.48989 10709.20971 802.5237349 22495.31244 Droxidopa 76692.28777 96061.00447 60023.95021 79539.69622 75436.19425 60465.62752 87502.74649 93732.65023 95119.79729 113757.8919 119818.9516 150411.3481 116246.264 89275.8534 98070.81741 146755.2482 66057.52353 147334.9429 59537.47535 55665.62491 55109.92984 43939.49592 54284.7754 59079.09021 52778.67183 57823.35438 57473.18149 137578.2869 121410.6188 92038.60034 147476.1906 69312.18522 91579.91735 158264.5072 116750.3462 112213.8332 47844.41187 49768.29138 57242.33732 56791.82707 49733.26892 59134.13094 47436.12495 59830.19368 53732.66574 65707.37095 93546.21231 68158.5747 83612.92155 84507.24081 117060.8203 79065.62256 282046.7465 80578.28933 Isoleucyl-Alanine 58152.45723 59542.5659 53547.55182 41894.9462 47652.97646 56774.46123 57322.98047 79075.81184 74285.15245 11412.00723 11400.05522 7587.834253 11280.55804 9543.166596 8976.653491 5375.308873 10850.51248 19137.73013 71136.92492 54364.62548 81830.3014 46681.78829 68766.62293 60297.31837 75897.81331 60518.05147 83783.27478 14902.60892 13308.85185 10558.07896 14542.62553 15222.33665 9330.998755 13922.68607 7250.345147 8027.373221 55527.29308 61538.8405 67001.6496 77189.19962 49076.03754 49582.49517 77067.0599 67316.35716 55177.45663 72682.09778 38993.18366 64389.51366 58337.0135 59010.61505 11470.28938 57454.79489 15143.14458 47026.21495 (23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione 5464.850928 13189.99196 13045.90012 6952.71861 18040.28835 13735.20458 11993.83586 21781.5214 61375.08013 2858.535806 3048.070567 1082.626872 2084.182201 8819.468693 5797.216558 339.0433089 18658.20353 6786.100363 55343.02589 36303.52309 23976.57829 19381.49818 21751.67406 92177.86267 36169.54258 75027.98939 74927.61834 1945.06878 923.6997216 266.879349 109.261691 2349.536838 659.5979114 3.665650443 2014.469265 441.0089212 9680.040435 22557.2107 15597.32229 13640.12421 23937.99185 11285.32884 58797.60397 71451.60747 85559.08096 81445.92903 83230.28615 32835.77498 9696.13575 5799.842077 4774.051005 39831.64553 1750.104325 42679.90305 3-Hydroxymugineic acid 22409.7839 18538.38133 32854.18567 19848.8812 34253.88863 40407.01265 22811.84944 18312.20629 16078.5026 1273.752364 699.7016762 4.07813e-08 1985.842676 4.07813e-08 152.1933015 842.3542449 158.9004649 378.1029438 24392.52373 23136.95798 33114.33058 16826.06137 72198.57056 29329.26264 28316.70725 15340.8677 66658.54957 182.390623 111.8371932 171.338019 4.07813e-08 189.4308102 110.618714 1395.967039 150.2538155 157.5522841 8062.283305 53753.13219 42317.19593 71089.77558 43885.69586 30663.09003 47289.22816 20961.21787 10331.60163 22293.20464 11662.50428 9858.889646 14575.88895 17423.61835 432.8167247 20729.15901 1596.581346 16814.69735 (2S,2'S)-Pyrosaccharopine 27463.11888 25162.25921 37306.87463 40765.39754 41079.41037 31077.98824 20536.95495 20113.82925 19798.28078 8405.675586 8733.213242 7676.863592 9213.060602 5293.076857 4504.188419 4702.50612 3695.801217 3745.080836 36634.13181 30035.67293 34646.11649 30920.79709 22283.12022 17632.1776 30018.16671 40843.04366 34251.83094 5364.94446 5931.066513 7239.768481 4519.109428 6191.677972 8515.613069 7713.48897 3421.620126 6260.741469 29704.61504 31005.16431 31397.52329 32216.39092 32133.22222 34089.37118 15766.03654 39232.40217 36760.63562 34288.39487 27968.53757 32520.65033 31260.90838 34066.28295 6770.557864 34016.41852 8905.459411 23636.80943 Prolyl-Tryptophan 1099.832305 2696.369759 1053.177331 983.5238625 1291.040552 771.0129419 1677.78119 1494.509003 3863.306921 8473.066706 12380.92067 22865.3906 7711.890512 12611.41207 17725.92305 15535.28176 8499.560059 21523.19315 1139.677494 992.4955818 1882.829078 1570.321507 1912.508841 2154.80837 683.9241159 1673.572375 1301.981095 22321.88559 10578.5944 12273.13898 8828.747929 13379.71326 10753.84412 12860.97106 11208.22558 8877.028108 1783.896595 1331.500187 510.062296 1720.905287 2017.383918 1413.805804 788.8074085 2933.223498 1824.247734 1442.976243 3782.24994 1358.561898 1123.880994 1387.491496 11000.04389 1615.895659 10433.80182 748.9562031 N-(3-oxo-heptanoyl)-homoserine lactone 22683.33541 39718.6548 21419.4427 33504.97084 39696.75464 13745.16307 19727.76728 26800.76564 24874.24408 80299.09207 73716.44303 95572.57514 78296.04982 74982.53548 47424.53657 75627.71306 56652.61012 59567.01633 12384.08376 10749.25399 14175.5526 10334.95663 12846.20937 14131.07695 19556.7178 26423.57471 11849.46685 64054.75484 68953.28482 89930.21112 61741.89042 79326.47259 72560.69242 54784.08873 75785.17522 75288.79307 54772.35098 15642.01096 18182.80593 10142.73811 8383.136188 24244.75392 12350.86209 25242.2309 16969.37549 10209.58232 10053.6054 17039.19247 20484.44665 32569.57904 70578.10268 19315.4079 68539.83039 17416.77953 5-Methoxytryptophol 873.5589376 1398.939798 644.7969355 774.9283867 583.8620909 764.5468647 885.7656585 1484.370964 778.7624609 3856.347786 3879.241457 7162.303721 4482.22402 9746.49315 3152.791489 6068.015329 9587.727331 7062.834935 338.9119049 349.5522924 417.4780856 412.6226637 224.2932088 207.9213015 316.1979336 758.1018464 286.3480697 4699.136552 6278.214122 8519.68782 3978.12401 7246.732702 5670.442516 4567.540607 7122.323738 6253.978755 497.9470043 332.8450925 371.7145575 302.9468737 323.3293485 225.6321489 268.368557 584.0029012 478.9449714 512.8921897 294.1717044 476.1179229 973.7526753 798.4671564 8165.151419 930.3290952 6139.402904 1206.508579 3-Oxo-4,6-choladienoic acid 2582.465697 439.6724508 2121.50939 3037.121085 10729.4982 9851.339013 3078.683842 3005.50962 14452.39202 13.47324506 181.409803 4.248767702 28.9803706 15.91683881 11.62374776 160.9025938 2.131144326 35.75175688 2424.554861 3113.707966 2645.44331 3966.492397 4296.550653 7906.797634 2160.470157 29538.49679 86701.29608 129.509768 145.2236001 21.2910985 10.96573888 324.6770604 13.06147091 314.0231554 7.559362007 289.5329595 3484.250511 604.7681425 1406.474275 5174.498435 5402.451729 2315.17229 8650.077749 26432.0633 8867.301355 7416.617972 3939.654434 9639.111103 4998.283847 3451.556036 15.00222122 5776.000612 513.8144601 6905.039478 3-Amino-2-piperidone 55547.82726 72648.23385 45463.19206 78904.77323 34309.8235 33432.65744 63553.8634 316767.5358 109295.3782 69103.75382 53205.63416 37478.52094 76415.45108 37768.81237 64061.04836 79975.24352 34780.75942 102167.0847 34871.21855 37215.88818 34087.08736 17450.50961 24810.98532 30406.94972 37041.45495 46246.02696 38498.20444 100259.0489 73090.06741 46573.45839 93993.68163 84699.46466 69064.56809 93299.06079 36953.59639 47059.72223 61166.88109 21954.59597 36478.78863 25171.85612 24749.57733 23663.76377 33914.95749 49557.24683 13341.15772 38068.72754 21193.27757 57291.62946 43906.7962 101292.8075 84241.03029 32656.88892 103739.7963 25222.43322 N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid 52838.67884 30783.28368 50656.13215 36550.22204 44862.19509 51718.50776 34702.89646 43389.82919 48836.32858 17265.63631 18174.38369 12379.5733 18436.05407 15282.03713 16011.2553 9404.319524 18179.0853 15193.60741 75274.4142 51950.50674 73851.14717 56935.34167 57007.97973 31585.69606 61225.56407 68326.4568 77962.25023 16568.66937 19152.90977 25885.53135 21175.72816 29964.53041 18662.99378 18739.9905 14439.49152 17565.88416 38681.97877 58216.30449 61636.60474 73821.82941 64226.90263 65592.72716 27181.81891 73060.32466 75511.17239 43776.71911 39256.23588 61262.14315 51055.49354 39780.46622 22895.16721 59719.22465 19309.44454 29132.90175 L-Agaridoxin 2985.429818 3480.33656 1851.58773 2144.61582 1884.562335 1992.571722 2814.744872 2053.371524 2228.944181 19657.28625 14292.80088 18978.18167 23590.56148 14807.27508 17990.57253 13393.34523 39089.87838 22994.37089 8174.876429 4500.699444 3966.730709 4156.863521 1533.286084 2248.15905 4284.569357 4674.308032 1855.950708 22877.80908 25264.66078 21241.5385 23123.94993 22032.36933 31648.13402 28164.48589 23484.78869 14337.19726 11605.52103 3623.591976 3528.652972 3225.130964 2358.620822 3552.147808 2500.449645 7274.479059 2878.543403 1753.781822 3585.779059 3121.559278 2419.102226 4162.84915 18925.29778 3573.526341 16366.98716 2278.106116 L-Dopa 139666.8757 173745.6742 167206.7737 231961.565 227981.9518 164626.7187 105115.4865 130676.3546 137526.5015 62270.55665 67026.26695 70516.27029 68239.73071 74933.33937 36290.03794 40406.17824 41470.7218 48419.52897 240120.1491 217136.9585 219463.0605 227112.6624 236609.5692 108731.3472 194640.4058 263366.2953 134650.515 51788.95473 67033.76663 99145.66862 57103.63573 111214.8647 72913.61234 67194.34465 39462.22983 62117.79826 188271.1807 245449.8315 221378.1049 252839.7013 226678.8316 223412.5638 108138.5564 252144.9431 328405.2924 186887.0243 158507.5351 194192.2987 179286.1262 158306.1795 81294.90827 194971.5168 74873.0513 90581.41481 1-(O-alpha-D-glucopyranosyl)-3-keto-(1,27R,29R)-triacontanetriol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66907.50468 111420.6056 159369.1904 49267.4073 200660.4583 48419.0274 263828.4219 87640.53432 138911.518 862.0748018 471.5076582 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17779.18212 45292.57292 157617.6106 23381.74648 70233.00162 45952.68649 13622.25567 80357.67579 149471.8629 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6814.479631 4.07813e-08 4.07813e-08 4.07813e-08 27251.11002 4.07813e-08 79506.43988 4.07813e-08 cyclic N-Acetylserotonin glucuronide 4.07813e-08 1127.037002 4.07813e-08 4.07813e-08 471.8856281 4.07813e-08 166.7002372 198.8892172 148.1032882 55085.3044 56401.15054 33570.6774 62549.5102 34341.43282 31147.75806 29332.65164 37732.42001 53456.06612 181.778641 4.07813e-08 4.07813e-08 4.07813e-08 1640.010809 376.9343573 952.1754159 858.7433082 1698.994204 34540.853 38324.1091 69725.358 27292.28852 67711.82313 39265.02157 36698.04939 15026.74748 53672.42624 153.6332968 1366.737278 735.7359793 4.07813e-08 339.9992674 1188.462983 480.3869035 1418.630509 581.4039561 166.7151529 4.07813e-08 4.07813e-08 460.4405897 2680.010721 64169.72854 187.8731695 63414.56768 34.0120494 Ectocarpen 7509.722453 5202.053635 6515.850843 5587.869084 7000.984069 6462.926943 6208.161342 7008.291364 6281.991402 694.656938 964.0936045 828.2925881 833.7584486 718.801245 397.7986278 1385.555919 938.7119208 1199.034871 10575.63698 10375.09692 9780.203176 9087.640901 9967.817446 9827.139683 9358.08906 11308.86496 12090.55216 677.1955763 863.7641098 1025.689232 810.8726386 825.7038013 1048.518914 674.8093446 1257.788381 1235.016979 6563.033356 8610.746707 7458.522362 9172.388979 9191.728244 9543.806585 10360.91637 10599.02521 13489.91637 8211.174977 6069.3695 7961.449017 6930.013935 5702.61499 969.6784049 7073.325666 1984.663488 8386.58038 12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one 18811.00753 14504.26906 18143.04291 21815.84004 26966.56277 23483.03982 23019.35751 14045.57296 16878.53599 6941.209428 4020.563001 6955.330147 6905.787523 8386.683006 5905.658349 7557.486054 4635.104313 6532.727503 37974.37909 36669.46943 34849.80748 32358.09151 33185.3525 39550.1775 36399.46597 37455.86681 34132.73876 3320.230967 3932.231468 6169.434179 4037.520608 5488.906441 4728.391863 4910.057138 6994.927931 9277.766777 27222.73549 29412.24918 28458.19722 30862.84276 34449.35474 34756.74927 37507.37657 35217.48872 36309.37932 48220.71228 29294.6157 31663.92551 31044.49757 26995.32461 16306.51856 30123.97637 10084.66356 28828.54739 3-Hydroxydodecanedioic acid 28299.56176 34406.99913 35091.6791 24806.15757 50367.25335 18779.41091 18399.48993 22460.41748 31711.02451 2386.757089 2518.041531 2282.299807 2449.244147 2510.958437 3652.871828 3205.846918 2757.961981 2264.127548 46040.35595 22082.07865 31867.66583 26538.76649 11888.74911 13158.22269 11380.39338 23993.47325 13125.76856 2053.337159 2302.241141 2906.915134 2416.411718 2751.280216 2660.557465 2210.653654 2763.526765 2492.109526 30385.71034 20715.76723 29107.40255 11220.38346 20038.80015 22557.30682 11254.6827 28115.65 29252.33228 11557.73554 12911.44876 13106.62596 16089.85894 17033.61781 2196.690818 19341.4733 3304.02011 9791.792071 delta14-10-PhytoF 72341.44923 344669.158 59615.90998 60410.74304 73123.9479 59494.57576 65519.94089 55603.82544 69721.5209 38101.94872 35566.5856 23660.01203 40818.55219 23101.45188 38738.35678 18540.01479 22242.29868 23998.23408 87821.65309 86044.68949 79250.89014 79490.53252 91315.68481 84800.5472 80594.41414 146195.3016 114378.3867 20414.92629 24799.78033 47372.55472 18032.7302 33693.39862 30906.15466 25792.2736 15205.29908 17396.28754 59005.24064 81242.79253 70818.32295 74567.66356 83938.05845 86829.20938 84676.60565 125080.0215 148251.1721 70215.81519 56495.38376 61731.27985 56986.92403 49586.65433 33742.57188 65970.53397 24861.72708 58538.80294 Prostaglandin D2-1-glyceryl ester 8114.877329 19480.2226 13129.76156 16217.81009 10790.27035 20306.43293 16067.50171 8720.971269 8882.74829 79849.31079 88594.52053 136026.0618 76321.94487 144722.8911 120523.014 85851.786 76180.89627 42874.03082 5773.606634 8797.642725 9391.035582 17857.04094 5777.574948 8022.912715 18691.56586 3741.815622 5658.34785 74922.20647 75898.37644 100619.823 82368.4433 108728.8228 111882.4355 76002.76363 101801.0273 100850.4066 53076.09814 6351.887519 4190.741307 8260.540647 11180.43591 11592.4988 9599.547985 2570.821553 6386.98347 9947.960891 5834.779343 6259.116273 6607.690566 7772.330503 86593.93576 5358.947247 76166.58298 9049.757875 Arginyl-Histidine 23911.87729 76420.81497 22045.91123 34491.02598 22732.98732 24458.02293 39309.23205 54496.96859 71889.46076 87821.44272 73735.98622 72433.07881 98435.89008 48583.77465 59949.44113 36592.90764 63584.50702 67584.75918 2693.205467 5036.187161 6976.415613 2762.612652 3143.981038 3421.027502 7196.662403 6012.820143 5511.006766 67135.74713 56898.29817 56872.89934 50649.93017 64868.1351 48975.89581 55895.92372 47237.51072 50500.00661 5217.728093 7458.401191 12060.23976 7323.932877 2374.573288 5055.56398 1572.272002 7453.519841 2794.581894 4442.137364 27032.4788 18821.84832 41689.94444 108696.6358 66026.16188 21043.8714 67474.79034 22720.68393 3,12-Dioxo-5beta-chol-8(14)-en-24-oic Acid 1.435393608 4.07813e-08 4.07813e-08 1.783547291 0.03564662 1834.600346 280.9524079 4.07813e-08 1119.563077 4.07813e-08 4.07813e-08 296.4656554 4.07813e-08 4.07813e-08 107.1974159 4.07813e-08 4.07813e-08 510.3961938 5540.686677 6435.305373 1240.443454 552.6588679 153.9643655 3819.304121 4.07813e-08 1310.748329 0.44844531 4.07813e-08 0.022202337 0.617214558 4.07813e-08 4.07813e-08 1.371131818 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.339622332 160.4690193 341.3442483 1.207336151 1047.928277 1472.169352 1.388387747 1523.17485 7770.527624 584.4830437 4.07813e-08 4.07813e-08 483.1042401 4.07813e-08 281.7482824 1102.019641 N-Methyl-2-pyrrolidinone 1991198.094 1971348.527 1803024.115 1808211.003 1878389.871 1451329.098 1451814.647 1717740.111 1709523.831 1152982.028 1100467.716 1100552.757 1295089.578 1106918.122 1070111.676 1478958.463 1109163.424 1296318.04 1284595.685 1328455.761 1262482.29 1240808.556 1105727.943 1181919.006 1283783.213 1555199.635 1380899.091 1044219.722 1358109.525 1418653.514 1367402.747 1280461.907 1148482.813 1055738.129 1309813.147 1477578.184 1495678.753 1071258.532 1149613.63 1145561.523 990766.1335 1136203.715 1289214.832 1651490.807 1260272.729 1464802.447 1351580.42 1162211.174 1223825.081 1311491.787 1107864.341 1343839.509 1368712.002 1618281.561 N5-(4-Methoxybenzyl)glutamine 129008.0032 158162.8069 97998.62879 129780.8851 110059.5322 90739.17762 140272.0912 172848.6336 106994.9588 15196.73784 16702.93568 14672.13603 14916.4004 10179.56488 20737.78488 12602.48317 29808.39942 13861.80111 65103.14753 129546.3294 61120.32711 85523.34067 167869.1683 163862.5801 121654.9364 112084.9684 165324.1794 15535.6058 15047.85298 11740.29072 16268.10426 15373.14954 12662.56044 19370.94019 20862.00278 11910.84135 96100.61765 97024.43968 63902.34021 104938.5094 109680.2732 120613.7046 142456.4118 109850.2623 132391.3286 119744.8575 106582.5845 73729.69627 95086.76821 193130.689 11262.56428 57200.34633 17405.11444 113913.0408 7-oxo-11E,13-Tetradecadienoic acid 121766.0581 86724.2783 89490.69241 90851.28439 102907.0523 71082.59543 62685.93675 51162.3067 42418.98976 6376.158943 7145.759386 10629.89224 7024.706904 9614.414588 7128.98105 10211.71682 3399.770919 6716.835686 77800.55139 70033.04575 50301.93713 60235.17728 68412.91357 61196.69606 67002.63051 79248.8189 67593.94868 6143.2495 8701.06497 13108.5536 7873.454904 7996.341632 7959.952996 7120.605856 6535.822548 8308.185585 55662.42616 63061.82033 51935.05133 57241.2501 60676.00563 68123.27343 58896.44979 77969.60235 100707.8613 35992.85365 31957.23323 47531.41521 42316.37637 37784.1452 7926.80034 47508.688 9137.168165 46220.62413 15R-hydroxy-12S,14R-dioxolane-5Z,8Z,10E-eicosatrienoic acid 13652.58453 13273.89918 12678.34296 14895.90687 20832.56626 11433.74281 32882.48726 23685.45443 24901.62088 8309.509318 5271.006766 6344.048361 6543.42864 3711.075016 6866.186465 4985.041383 10299.90364 5081.989643 9156.143087 45456.76864 6647.279923 10659.97188 52097.02716 99846.43517 45783.17554 21559.86319 49636.78597 6224.887667 7011.924367 3760.573757 6170.808165 3793.565693 5445.632208 7076.70669 5699.743974 3527.723131 22073.23695 24924.51905 6420.98373 17025.58324 14975.75558 25049.58974 96187.81378 20920.05135 29027.82674 50937.69334 37908.81895 12732.14493 8678.61787 10315.0239 4923.088779 10630.76288 46142.89644 65029.87095 Leucyl-Isoleucine 229487.2738 89066.58181 161831.6187 106511.7116 92097.84144 124784.0671 150460.7317 96425.17238 93154.14315 92.04845005 204.8059016 77.58191672 183.7676587 4.07813e-08 263.6163229 4.07813e-08 194.0272727 462.9841254 66825.2234 97230.9442 93849.15989 32135.28046 47711.10774 65553.3241 64573.8071 27961.86825 74863.57233 603.1861944 379.9077268 216.3721671 471.0092755 459.8238884 439.0109921 366.8367726 213.4319562 238.7031846 47793.21967 108968.2084 104062.5913 109453.772 93119.91088 52805.0007 78309.24353 45199.55646 39371.18421 86132.39228 77003.61544 62243.17739 51760.46968 58605.87895 304.8935235 57559.53775 251.1775737 45457.88689 Isoeugenitin 24172.74208 25907.3671 25309.5679 22653.78954 24374.96564 20266.33972 20773.47526 23796.58166 20243.47344 17536.15182 14350.89241 15104.25501 19408.38043 14661.16014 14622.41565 23521.35787 14613.61658 19045.80498 18149.80459 15121.92141 13894.5104 15555.07606 13650.66053 14819.19319 16060.07166 18113.22964 17976.58667 13639.95233 18258.052 18437.63342 17468.62004 18839.71576 15013.23124 13186.31598 18755.55371 17524.19493 16804.03765 18066.61587 15786.80246 14725.86956 13700.86684 15331.80122 16214.62519 19218.00914 15609.74909 19953.00863 17816.72111 16564.41795 17859.35902 18501.12708 13966.12368 18096.86136 17379.12113 22806.18525 Creatinine 259207.9096 1794529.328 155982.7837 243948.3221 120019.4641 145970.142 535300.3181 321575.9822 311554.2045 2634574.11 2224154.239 1281410.783 2693556.055 1119528.828 1300659.395 995956.5926 986000.6092 1854857.512 91815.7971 86011.54734 99365.25306 83266.69163 104298.5796 89173.03145 89778.94955 105112.0899 102903.5934 2224881.13 2209161.43 1458879.025 1510577.582 1998313.676 2025629.924 2946323.788 864281.7438 1221243.834 82821.32872 95895.24216 86664.21074 88782.78571 89879.03235 85582.07026 80711.10294 96885.39092 124895.5109 83892.65166 65934.21562 86603.59786 277342.4354 708856.7182 2264206.384 289838.5682 1827290.346 343791.5006 a-L-Arabinofuranosyl-(1->3)-b-D-xylopyranosyl-(1->4)-D-xylose 560578.3663 690236.995 819412.2143 816113.9656 359086.0837 624602.4587 839096.3979 899731.4719 553333.9846 679060.2303 586976.2934 463152.1452 713752.4314 432333.0107 439328.9937 308873.2462 256432.468 590818.2137 219583.4322 151484.2621 124595.166 132817.3565 74649.37955 145021.6704 177107.7224 145419.1872 159911.1984 436534.6033 547104.9034 547554.3642 416283.2033 603940.6475 518672.9559 566733.1747 282914.6945 389652.2066 591225.9801 335961.2737 349579.3702 169481.3679 198995.9731 74048.54797 118563.5924 243570.6328 90839.44202 428664.4517 194992.963 410710.2536 319518.4737 500610.9354 654021.3961 320697.1746 543064.5741 503920.033 Aspartyl-Glutamine 91706.14428 137232.4294 93583.43854 134995.4841 125657.9121 83374.54733 115587.14 104218.6163 93755.77706 695091.506 675392.3615 442043.3885 725730.5409 471337.0105 415480.1591 394604.9681 384225.7289 599311.9536 73105.77317 67292.92046 69725.85061 66849.32816 74574.34143 69295.9104 67409.01199 77500.68627 82824.23961 477585.4751 539991.8668 627031.3266 393302.6415 758305.9879 513088.4292 482476.1387 271465.344 448024.6139 69991.31471 72921.91784 73657.80358 67470.16902 69964.33892 84593.57053 58569.41728 78944.21078 88212.2817 59410.34007 69598.68065 68826.36647 98542.57882 140977.398 633670.7564 87468.57128 595942.954 94919.15124 Proline betaine 38004.62445 35530.72381 37484.38852 34710.22965 36436.73705 37826.39628 39735.72687 31715.75551 28153.38618 31626.57846 27236.63735 24163.83505 30887.37949 20005.96143 23355.20388 16188.21313 18706.83913 24920.3271 59961.91324 48256.42608 53037.22381 46444.37054 51629.21179 53195.3173 49394.86291 71944.33527 60010.91264 17697.69465 26016.03151 23930.68242 25809.22073 29256.89007 27343.33738 36511.89353 16803.67905 21781.80894 38076.76289 47666.77747 46707.50244 50958.37553 46353.1193 47518.8032 57335.1369 69442.87624 66642.1401 46854.615 35653.93189 41507.72286 44221.89192 39406.62202 30795.75199 39817.56741 32760.6838 49221.7794 Butyl 2-aminobenzoate 34015.38478 17959.45834 25699.53421 31178.0311 67397.18407 14291.21103 27370.95086 56780.71526 31800.56399 3625.415337 3439.622076 2292.667727 3378.955461 3605.723296 3653.134225 4011.819034 5011.933359 4304.738489 148891.5662 90535.07932 63592.61103 140777.624 163984.6138 74982.16497 62333.4916 184757.6054 195942.0813 2664.7669 3649.489708 4289.835456 3351.467578 2979.1528 2835.139638 3539.258096 4294.289386 4425.606657 71139.52683 73404.69826 53229.52213 98862.68149 161647.0277 148652.9631 67524.09369 204043.6183 206653.0136 11991.89141 22721.98689 30437.95725 43277.99488 32003.60448 3722.288259 35698.8791 2701.85697 62011.74503 (9Z)-3-hydroxydodecenoylcarnitine 84781.51589 167535.3273 340616.3753 321153.669 443001.6388 518894.5808 362029.9046 256935.9011 230413.2613 21614.77666 44785.93925 111901.8229 22765.45673 114593.7504 54029.88604 70834.60359 16071.99519 25216.81882 671856.1489 591700.4213 597545.1963 525311.3437 536047.5272 593015.9885 478864.4139 348923.0026 381433.8775 65365.11146 148973.5239 124300.0816 148731.4034 155171.0172 98653.34467 106852.3702 41586.16467 110394.1355 503264.0346 341539.582 483054.2267 599577.0885 518344.3827 513328.8394 487396.5063 357360.2356 374436.9109 1217516.155 665544.3891 668423.3341 434182.662 284941.5553 186356.7453 623053.1125 116709.0973 493642.4071 Vaccenic acid ethanolamide 4399.243202 14698.32828 4143.313388 8148.909302 5030.477749 2564.696693 7124.921176 4118.867421 1817.826514 4015.307989 3486.393142 7776.954602 4452.200595 7376.734417 9552.437707 3330.409679 2971.248767 4252.155876 4481.424688 2714.376758 2861.409176 7040.465917 4069.694933 5089.176351 1101.609963 9653.010102 2904.025803 2770.748 3425.956715 3155.580323 6989.285631 3493.073277 2307.407996 4267.352114 123011.0627 4352.789964 3742.966735 2840.389115 3338.910519 3186.057185 1832.601386 2853.190917 936.614291 1913.363665 4883.204484 13876.86317 3213.236714 3966.73722 1603.668468 1488.254713 2263.458698 11972.82021 3984.813653 2951.756567 Tyrosyl-Asparagine 5314.08703 3332.967523 4843.629127 6320.176118 6696.407496 4919.820249 9243.742972 4963.858932 3263.930969 1607.853658 1342.643988 1026.476495 1608.056878 1041.222781 3259.55544 665.0992509 474.6484952 1081.196607 7458.589461 11511.83378 5529.31217 7936.771808 15187.73746 17965.25434 12704.74536 7367.701613 9662.587936 1903.977392 2190.17589 741.0975318 1891.487064 2125.075744 3321.125098 3261.815555 737.6062792 846.369685 6865.40618 9233.531505 5473.862212 6791.964792 7210.849966 11542.75133 17335.21868 6132.92645 8938.602615 8618.283639 7566.042889 5519.329403 4895.066026 4232.870396 3473.283972 5360.722741 2868.571561 13445.23083 Amobarbital 1623.492023 836.7863278 1805.757265 2469.546156 1969.27293 3444.601443 3489.365794 1227.169028 1255.972196 25976.65721 18515.94888 15310.13422 25324.14516 18112.11524 20833.80157 16857.66886 42319.12353 7684.946393 2905.949283 2119.658916 1554.911916 1914.894483 2946.62335 3128.163451 2204.762871 3372.903803 2896.605304 27851.26261 19604.27363 25583.8148 18546.35298 41501.4029 24773.05658 20250.12787 17097.719 22609.28147 2434.236167 3061.6548 2599.912085 2630.350858 1874.282108 2638.712455 2659.61025 2911.195115 3051.887182 2396.312996 1922.426563 2269.329911 4998.775186 1220.98232 76103.68949 4474.660017 26205.31774 8331.865353 Cyclohexyl 2-aminobenzoate 24429.64945 5342.16849 61058.26436 3909.276506 3712.915449 6392.311887 9388.558521 8306.794615 12935.22976 3137.538845 2779.615008 5956.188556 1804.652936 5472.280304 2272.654772 3768.445703 5064.34118 2824.799539 9661.61136 11245.20296 17800.33099 13438.1929 70127.61535 16735.01632 12301.72383 8266.265362 22947.85408 3950.236929 2454.643678 8889.155585 8880.013611 1123.114623 8170.978569 5317.211144 3435.916345 2189.919253 6826.132063 6424.30431 21637.8061 6838.777927 10778.33862 5564.81408 16766.19957 8151.55703 14397.12558 3076.391736 2303.88994 4509.248207 11744.972 7195.33957 1172.883989 11332.27553 1752.679349 6492.231394 Cilazapril 3113.977022 4864.360156 960.0958301 5089.190936 1744.998904 2376.936697 2824.44357 5812.138027 6774.974918 9086.897056 17219.97493 8401.542985 3604.372398 3959.223417 41551.09256 28637.06028 19765.95729 3534.2845 4.07813e-08 66.24577087 1665.034388 291.3268268 4.07813e-08 78.38552677 192.6773857 4.07813e-08 4.07813e-08 2755.306463 15068.43205 1296.97535 18016.79756 2527.663265 14951.74035 6850.470424 18460.81411 2964.901429 1071.436748 357.5195538 2671.203987 1015.0438 601.77766 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1510.58956 601.410914 2553.189835 5206.568732 2054.918989 1593.448643 896.757444 4.07813e-08 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide 273822.3132 298753.0046 189441.2483 251497.0249 192888.0809 157707.3005 338510.0441 338514.6242 383852.7621 58751.64661 84137.52695 101956.6076 56044.43872 64997.76547 96907.93808 134262.4399 78467.07691 65155.45353 55380.49017 64166.93679 98314.51684 53154.83289 104776.952 69261.57388 80708.58674 63785.43829 118415.3928 169834.4329 70348.05554 77097.80622 101189.9269 51322.86451 78670.55754 94362.48249 110421.3186 59986.28438 71602.99743 98858.06309 125873.5829 127844.2151 87487.6124 86043.48099 69991.11294 67824.09192 70309.82504 65798.40731 96892.48929 88006.27584 161621.2536 186098.873 59646.54963 88073.02592 115438.9269 79531.14502 9,14-dihydroxy-octadecanoic acid 124244.5791 139923.6034 195977.9449 123987.3484 179720.066 132285.3927 83578.75109 107281.7706 87193.96301 13710.53919 16611.22073 9192.613303 18239.8014 14955.09332 9932.654935 20276.6367 19107.14251 11180.59698 106287.5609 164896.647 188355.0977 99023.75387 178678.7971 152047.6414 78471.1652 159396.5808 109029.7324 10217.76172 11623.49667 29253.84734 10439.01797 59947.95615 21526.05744 8747.480727 28272.27341 10869.57477 30124.45113 111073.5613 119305.5381 180874.0943 121331.5523 165388.722 150929.3593 127498.7732 59289.76063 107832.8985 89136.01065 145725.47 82090.83619 168308.6149 15641.20723 187552.6377 15672.95612 113829.2489 2-Phenylacetamide 11525.82309 10362.96639 7798.708105 8920.344369 5832.515146 6069.012867 8047.444562 10569.73019 16869.45649 11973.56923 10095.93862 15140.69782 14211.14701 10784.0662 16082.07819 16159.44177 17416.39771 37897.73539 4735.170525 4809.602159 4024.826547 4346.515043 3583.198787 4324.505085 4790.796068 5783.808851 5068.416482 38192.68925 17125.81565 20833.64127 28276.35495 17782.64471 23013.76641 19630.38514 18736.69668 14665.35444 13042.32692 4629.489633 4149.832312 4250.881366 3855.326582 3917.127249 4686.154111 5868.742081 4883.939615 4377.99938 7221.788456 6459.632848 7201.651371 8616.217094 10864.5054 7498.110662 23807.05195 6199.372403 Salicylamide 21987.58875 22127.42118 23085.00801 21271.30264 21432.13834 18368.44268 19263.34732 21199.90043 19906.38221 156384.8326 491592.6319 405945.3673 106094.4683 704134.0644 113842.3921 509656.5557 104584.5236 244660.9826 14917.21217 15554.32684 14575.55607 15172.87268 14743.4645 14308.53213 16816.10218 19129.88711 16659.58706 23776.08235 178069.7368 552937.5729 70309.01053 198905.9498 128837.9262 47943.2568 112878.5022 277301.2085 17137.64216 15390.87115 14406.09516 13393.49897 15723.01113 15904.4597 16761.54601 19786.54846 16652.74192 17570.82087 16231.62864 15498.79465 17646.92446 15877.71429 86997.70158 16127.19707 196897.8416 20019.77886 Phenylalanyl-Tyrosine 5390.204167 19738.38602 3930.616459 11508.62411 5304.561729 5804.111467 5327.86629 7142.56482 7845.935052 19343.23013 24878.76843 15595.2228 18660.87738 27979.77758 10629.47103 15544.10942 24712.99454 17751.95483 6395.273504 4026.081756 5942.462504 4707.90319 3246.459244 1817.11377 1735.663741 3773.489563 3378.665386 6894.334237 16725.64403 24262.2334 11272.98064 28117.39486 30088.50836 5116.146892 10604.94661 10320.2017 6643.236262 5463.372547 4931.046731 4081.366692 4955.577442 6273.68376 1942.955543 3293.235981 10290.81201 2344.341353 3345.402819 3773.04622 4372.48369 9210.124204 11847.76741 3613.469237 40036.69572 3128.911534 3,17-dihydroxy-5,9-dioxo-4,5-9,10-diseco-androsta-1(10),2-dien-4-oic acid 1959.300622 2118.265948 2333.990258 4367.832053 5834.244372 2872.417877 2867.747745 1889.244697 1339.114979 4507.192645 7556.128018 18942.20072 4819.464956 27228.64325 7233.472347 11915.91018 10863.34808 16125.09708 3733.295662 2732.253968 2943.379983 2671.210439 3262.963016 3204.07544 2842.675771 3157.788692 3017.668821 6271.78942 10057.38166 33198.48655 14436.2313 27432.41483 11868.84657 7474.366921 12178.86441 28981.25265 2433.614104 2227.639174 2671.204436 2790.042716 3641.727764 3080.380983 2480.016702 4012.759421 3734.733947 3162.253157 2729.988509 2951.243465 2432.507816 3286.776813 13207.13767 2127.096721 5296.652689 3181.408096 5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one 22398.43632 5143.148864 13040.74031 9180.495358 7823.076861 27708.05462 43452.90525 18187.71582 24569.54981 189.3089062 354.8218306 407.0745751 404.4226354 620.5072299 199.2677077 746.5774964 613.5307596 449.9709626 2902.125564 3079.848773 5085.678721 8867.809263 5946.969997 5584.364497 7213.791897 3939.736917 3195.793944 372.3632524 227.1450195 367.9813272 758.9967801 571.4137604 634.5407039 436.7266704 604.1473487 310.490083 19210.09288 11368.73555 13317.09206 7314.707106 5978.790869 6531.599032 6265.469798 5126.317358 2112.623433 7140.470876 6631.349497 21111.78344 15809.14882 10902.06389 5481.101943 8754.048141 8567.584705 27104.01089 PIM1(18:1(9Z)/16:0) 4.07813e-08 2663.898306 1899.026814 673.7049694 2465.367086 4.07813e-08 534.3750169 8803.594578 2601.630695 419.6607455 94581.00181 31102.11298 1532.74255 60442.91375 50213.59288 759699.5715 8604812.428 434.3129642 1921.336866 417.8423896 911.1142374 746.6181022 4.07813e-08 2317.547809 2654.055715 1813.366607 273.303143 4140369.962 1431.850112 44918.41856 69.66241664 11560.49998 94082.86964 8349.744429 3818334.24 19592.47665 9.232261484 1031.306179 769.8318845 26.08424312 2422.25042 43.00364606 821.1087182 20.50240949 3514.989605 526.9802644 598.4989285 605.5031424 2246.30801 2932.216583 26.86299113 527.301285 1677.0147 1816.059616 Noralfentanil 183294.1106 379188.6728 55588.63055 106473.9257 56764.3787 46870.70914 176576.5173 312541.1889 156737.616 4.07813e-08 35.38167463 4.07813e-08 4.07813e-08 52.12694288 4.07813e-08 36.28187924 104.7839906 1150.257696 4565.459951 2206.643139 10666.75635 23622.68935 4.07813e-08 4.07813e-08 29458.06501 2281.901047 63.15576969 4.07813e-08 424.7684324 4.07813e-08 4.07813e-08 76.71863759 4.07813e-08 498.5637025 89.53677912 106.6740579 857876.2006 11197.19631 7765.679348 3433.269433 2640.087411 1748.288223 4.07813e-08 3759.525541 911.0500471 728.2080094 48255.80778 73397.86405 213744.0441 248750.7693 4.07813e-08 76941.95413 114.7670567 8920.138293 (1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol 4382.851325 2089.792189 4392.002375 2905.063344 5795.360908 3558.322095 2762.261615 5621.505641 3919.413858 996.2279192 836.5132489 541.0931992 686.204683 623.2501657 583.9191923 1449.86891 1100.96256 797.2782839 19998.50058 13321.31116 11279.99453 14315.25191 22284.60918 15593.2854 13619.50997 27834.55548 25574.69577 530.1774278 865.7962091 753.4270243 825.320184 506.5611982 962.2173997 617.7495182 1330.94154 1132.576792 6561.78761 8538.72886 9749.654023 12774.50851 16165.98478 18057.51627 13841.74903 26316.40878 16270.30647 5698.53598 3597.021028 6801.023935 7807.583658 5178.074606 796.11972 9933.60841 983.2268707 11350.75125 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one 32545.86026 26937.04483 45870.83021 62134.20552 69418.57972 41943.66927 37900.30951 30115.61007 24110.07506 11652.75994 11613.01185 20917.29708 9769.296306 17062.4313 10823.65268 13264.71184 5521.302754 5472.103958 52837.25658 73666.39045 32885.4636 58332.09944 78902.64338 69944.85503 56813.78012 55442.72276 63259.85245 9604.709808 12369.67261 17724.62325 9055.553041 12103.13241 15979.44932 13318.73557 9966.107165 13369.97478 45340.47355 56073.74209 32466.06823 51210.26948 67358.65477 73266.00482 67406.58617 53594.48722 67201.25857 83342.68893 67026.82834 46099.78948 34827.70127 28313.11722 13656.92394 43634.7958 11597.73971 58196.63562 Dioscorine 16008.89586 9474.737297 23406.14676 17747.21889 26205.27153 19271.93627 21930.05375 20880.85276 12894.87872 1.404359375 4.07813e-08 1.094591837 1.267649881 0.982566033 48.64107182 4.07813e-08 1.003967162 0.834678536 82310.33524 65527.86914 57678.40074 71605.32289 75159.91467 69402.24471 65309.00221 110626.6514 97730.08705 3.503066576 4.07813e-08 5.457405452 18.15977483 4.174543834 4.07813e-08 85.75827715 4.07813e-08 1.264678763 54711.93898 52795.49821 50241.7015 60004.81096 76473.89801 67163.97333 70038.11918 99170.2102 119796.8704 50613.15173 41494.09087 39583.16095 41947.20591 31557.89945 62.85284325 46014.65772 40.6032222 45354.26489 Ozagrel 29124.56977 25604.84715 28150.42569 26407.46729 29321.32069 23795.13292 23698.01777 25945.85248 25713.04783 9362.159058 7752.074239 9521.602802 10332.20105 10296.12298 8558.050817 7212.864228 10551.72328 8740.514657 18409.23049 19037.42113 19616.5697 23131.2562 26469.29091 21571.45193 24098.97333 19956.2917 24277.2358 5557.134234 6507.49385 9747.189288 6864.737459 9058.834222 12704.68984 11052.42932 9154.876554 7979.136925 18565.54052 18601.27593 18586.96231 22918.56227 22374.48885 23493.24619 20257.67616 18160.56387 26429.18444 17079.82225 12316.26132 17818.57088 16880.88807 16950.43101 9770.911562 15703.9697 7115.143096 17389.63742 3-hydroxy-cis-5-octenoylcarnitine 78271.38838 57361.80557 68185.73925 64874.03332 89400.8032 65818.82493 79297.29124 68735.95447 66510.94276 51.33727017 229.7988845 455.7809488 640.6215352 692.8261876 599.9046989 199.9433968 238.8942385 1050.383139 66092.87375 99679.13154 46636.1505 73570.58193 108336.5108 102484.6067 99116.83317 100881.2444 120407.7962 906.360863 617.5954919 725.6812238 608.6341956 1007.24966 316.9771651 1297.692529 189.4174767 755.7044187 48820.41677 66734.12273 33411.34532 70852.17871 89078.36331 94541.39435 90554.39689 100927.678 112324.7471 71836.42979 55761.69096 58900.60185 43342.29204 36781.10613 1409.675436 50004.74883 744.8989316 68776.71683 Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one 2288.675364 1058.722376 3008.65457 1943.231832 2618.848942 740.4712562 691.8557505 1833.734005 861.0526273 2691.57246 1599.943461 1927.716628 3369.593848 732.9021207 884.7134292 3376.331389 1554.828544 436.213774 912.2713003 1163.702651 1029.244067 1401.523307 552.5004693 4.07813e-08 4442.924243 19925.31544 31400.58594 4245.379113 1815.286551 2352.533363 3369.69183 2478.363126 16837.06128 1396.295036 2077.418558 2016.243596 869.293978 1010.34725 1898.32202 1115.830104 1651.181552 1797.124252 4.07813e-08 23223.06654 5541.04703 548.9322469 600.6951751 4686.035618 3283.420654 4147.219861 5388.337275 5831.163584 1295.830547 2964.635976 Germacrone-13-al 29110.16883 18524.5105 28070.91825 22322.95125 27180.84318 26627.44937 25339.56919 21261.25032 18067.05399 253.2967307 117.9440461 203.0445448 259.294421 208.1563345 103.3365373 190.2041672 4.07813e-08 153.0865988 36873.26843 36168.08067 22139.67974 33540.05553 40727.43988 37227.167 36866.94924 42423.62951 44805.83192 112.293529 468.0757008 126.9838598 303.1586054 258.2497499 267.1502758 309.0627141 206.4637575 62.88829939 21956.26787 29921.23621 19636.6873 31271.0652 37484.38755 35440.95106 37794.16171 38498.80701 49543.73023 28477.08435 21023.93982 24781.32718 17861.19551 12963.81379 691.1487429 22094.81776 410.9613214 25647.39159 COTARNINE 9830.514059 3532.063381 31851.7024 2808.504404 3036.197864 6002.697066 8869.713287 3041.566606 4842.368816 3572.400458 3418.895634 3351.465993 2954.08715 3652.38543 3717.459143 4811.356055 3573.080528 1816.825689 11979.36779 8310.048275 10188.36348 8965.048123 20722.88244 11412.17127 8259.626823 14330.91787 15145.39562 4535.183704 2544.816905 7957.827045 10233.71022 4658.099634 9142.56383 5839.99577 4443.156027 2089.353099 7051.082929 7946.522482 10632.79078 5171.618815 7872.317549 5697.334862 20357.07225 13222.05236 12930.90832 7431.576437 8058.677574 9496.750616 6981.078762 2849.562064 2434.381749 9948.157273 3697.947304 10623.79781 2-Methylacetophenone 175.26445 1233.698812 80.98057631 4.07813e-08 4.07813e-08 205.2673886 100.9226412 210.4727844 4.07813e-08 5771.607959 600.3725802 24116.64976 6946.195429 13917.43945 3100.986807 7045.597096 1922.427114 2908.149448 738.8429446 42.89613624 998.2553571 4.07813e-08 601.5594013 186.3227096 149.8513452 276.7453585 289.508521 36.18128165 11413.83476 3099.195545 946.578714 1892.46819 178.06878940000001 3428.35221 696.6187265 7783.13575 4.07813e-08 591.9433844 351.3596831 630.8320895 216.6240047 1070.510697 274.7928587 139.5602368 1037.851851 138.9596201 410.4403904 4.07813e-08 4.07813e-08 91.9896784 962.7051322 66.59601212 3005.968134 4.07813e-08 2Z-Dodecenedioic acid 38713.96885 29716.59939 26934.20686 26006.00661 32983.63593 25998.23123 29157.19834 21686.64762 25950.88351 6271.797493 6566.239512 5104.24827 5835.823855 4628.828234 5567.501835 7809.152271 3087.317066 6979.842003 20622.54922 19361.52129 28426.53222 24460.22731 31031.75034 22472.537 19029.8102 17340.5929 21726.75761 2876.140325 5430.362676 6200.086626 5893.341969 5331.050552 6356.173476 5270.957517 7020.666086 7027.505142 16651.51979 25935.49447 23438.90388 21560.58765 22756.60792 25039.27477 23944.83361 16594.47748 27807.42537 16227.44271 15498.44097 19788.1245 20209.72944 15451.50768 5116.494934 18200.29751 6845.756379 20277.02963 (R)-lipoic acid 1454.539473 2679.946046 2523.30651 1736.687485 2189.066237 2344.9285 4529.300486 2628.649565 2118.611836 26214.04716 28128.546 27997.13678 28665.6524 24136.39853 30610.7473 15167.06437 14296.1415 16363.38926 1339.510992 937.286573 866.7476554 1401.69801 849.744398 984.2480905 912.2326682 2015.227098 1885.613578 21422.42124 25164.89192 22538.76798 21174.3641 35441.68242 29407.49387 27464.42257 16791.7063 17519.99603 1473.093007 1492.015848 1227.579721 1414.673848 1001.385264 380.8755744 1001.601225 2832.627441 1185.14581 950.4764957 1238.180705 2118.623834 2358.01048 6252.870895 29572.90187 1498.557678 26057.02092 3732.04817 2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine 3300.783394 8016.516364 1694.207239 3818.626402 1428.890716 2217.742484 3245.224063 4972.898986 6198.538454 36763.16119 37343.58494 23499.09184 41624.95501 29589.15487 23249.94754 23862.33521 41406.6237 34241.32487 21.66285196 19.74943822 732.0661772 115.6193863 106.3708931 4.07813e-08 713.6371761 367.0115581 491.7096205 26064.45416 25269.70567 36599.05944 21767.14766 36920.47568 23404.43278 30506.29245 14749.1028 44170.28318 2159.597934 723.5906739 963.9871737 357.9763893 351.8371687 117.3645351 381.203566 704.5981075 45.07674038 848.6485118 2449.398573 1283.560594 4807.846269 10206.16554 36306.00818 2773.526164 35438.85741 2025.095607 Zolmitriptan 4715.283631 7888.543092 12331.38028 17288.28511 16703.7527 9454.11815 9320.970726 2518.492222 2002.781516 1777.6382 3818.654957 8600.239468 2464.522624 7882.225977 2964.37685 4912.887328 202.0079043 861.5570524 8131.260993 7384.036312 6607.872947 6969.588477 8633.2009 9662.319041 7585.846829 9738.084839 7836.555588 2061.301277 2163.502588 5305.870545 2591.115294 4856.274118 7730.189711 2932.559915 3410.135652 3722.159605 5590.667452 6981.663393 7572.040766 7347.999101 6575.50973 7589.670288 7619.446908 7753.904607 10140.61384 6782.380215 5005.404059 5429.968344 3907.821098 4035.606806 2607.249239 5943.028596 2893.089082 7138.573547 Nuttalline 12903.06128 11909.92018 18941.99975 14724.42645 17331.00077 16331.60093 18481.2072 6233.800757 12353.65842 696.6878619 729.449447 1719.209402 682.6539983 1073.795551 891.3882352 1283.27095 451.2350069 250.8059859 27223.68864 24259.65405 17184.62751 21039.74316 26518.43797 21379.10818 25561.38174 18061.29284 17824.63577 880.7040804 942.3998058 1667.739315 1231.726287 549.9765766 1671.492951 1321.901844 889.0654291 922.6736217 15851.55055 21804.28072 17569.21221 21313.65001 22056.72992 25315.19858 21654.32283 18675.27351 21981.69633 21953.44985 17139.15262 19775.09202 11418.96814 9367.450013 1124.032655 16877.14889 1266.329623 11744.46159 4-Methyl-5-thiazoleethanol 52404.84198 102797.5065 109197.7369 124184.5236 148274.9704 99266.14634 69356.61473 49244.66789 32720.90516 30902.07355 17151.16788 38896.59707 26930.88581 20066.73654 12198.92493 16840.13108 8377.191317 9691.195839 53121.27622 65696.69916 53220.70633 34500.54054 63492.01587 39074.94217 54426.90595 80477.2628 89113.23464 8922.567953 13094.82141 20464.36952 12543.65388 11787.67296 45807.65219 30407.90225 24701.02295 25559.84279 38064.93747 60863.62767 41573.80258 51172.51991 39046.91358 46561.53067 50251.47193 100797.6184 111431.1026 45219.77839 17905.49154 39503.74937 29910.9527 40078.85334 16225.75765 27649.26498 20550.86852 43122.72291 Arginyl-Leucine 72688.6218 102205.4196 29562.10795 87302.57435 18058.98225 48221.60833 98234.09718 133121.4974 180143.2396 30707.91859 34622.96019 29485.82822 44646.01372 30438.08354 26581.92045 23627.34044 23383.9018 27802.18674 5328.401344 2224.085763 24171.02703 955.0278127 6232.013488 3215.857223 9397.323928 1412.097241 3266.608392 30210.58846 34278.43543 28398.30543 38026.33679 33039.49106 27554.24202 27380.72485 25528.70309 29320.30155 10819.50238 14394.56116 24533.49543 19096.14013 1045.406213 2118.644726 4968.814581 4.07813e-08 1947.201028 2205.137592 39409.18972 16535.27276 63428.99226 104330.8204 28871.19959 23448.45104 81447.31825 23038.1954 4-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,2,3,5-tetrol 445159.2705 428733.5918 423201.4133 474331.7577 420563.4911 375909.9478 440672.4415 402179.5835 409350.1988 289505.5061 286181.3838 267821.88 301895.1848 286719.161 241324.8091 350998.5035 242277.0495 289477.1276 289193.0187 309205.3226 286414.7838 316639.4039 315639.619 301317.8541 302490.757 357129.8006 311898.7532 269998.1863 322369.2562 350130.2154 364813.5216 293640.5784 284591.7799 270086.6174 317815.8765 325361.4456 347968.3411 304522.2928 330231.1643 309809.9894 292713.7873 352276.1034 300398.6081 372042.0973 358068.9193 365852.0403 330937.6932 363804.9406 351458.9404 327946.1956 245660.0838 328980.04 342366.5845 405817.7907 Merodesmosine 1080.06066 3235.223374 317.4199498 1334.673129 231.4258782 997.6374916 1215.183974 3014.617771 4247.370627 6745.979663 12425.62461 12362.70346 5437.250993 10079.65497 31127.93897 25200.2447 12851.11787 24108.11451 275.7441089 4.07813e-08 1131.844869 241.2548541 146.6186219 169.7779346 183.8130935 563.0640252 187.5861827 6887.077548 8818.642433 11103.94839 12558.40138 9811.460446 7826.553359 27477.06336 8455.811477 22377.25537 481.6099379 120.8400561 1382.776333 38.69213913 4.07813e-08 561.1183871 4.07813e-08 309.2439409 169.1566122 4.07813e-08 441.5164557 503.8010044 1179.039265 3477.107406 9169.135225 180.4668395 2211.079272 4.07813e-08 Ceanothine C 261355.3383 1609485.671 394687.2787 262499.9706 163475.7697 337724.7357 899883.6649 782249.8015 376145.1036 4240249.656 4320290.968 3069854.763 3992538.64 3313873.633 3816766.942 2533580.761 2340154.01 3871734.933 83509.87921 56751.68986 120675.434 293434.9948 45276.23159 40364.15309 190006.1985 126727.5355 126997.1654 2915709.112 4228708.36 3901700.139 4364036.62 5096072.821 3682567.025 5528660.392 3164975.165 2500771.247 280893.8185 161628.3392 111447.9334 82783.22953 64271.7042 49822.68666 42313.52505 127442.1419 112398.4963 48396.24149 37461.93997 190961.9471 630549.3407 669456.207 4634022.291 629363.7087 4631893.057 681947.6301 LysoPA(a-25:0/0:0) 511.9827626 9943.946728 4.07813e-08 4.07813e-08 451.4413421 6.736807925 4.07813e-08 3491.304773 9225.249465 9511.174058 534.9934624 44416.16306 10277.09928 87740.01476 130106.6878 25830.83323 168083.2436 193859.543 147.6259511 4.07813e-08 221.7643675 4.07813e-08 4.07813e-08 4.07813e-08 437.8658313 4.07813e-08 4.07813e-08 65315.98217 25645.11671 3838.306857 68904.47529 10187.46972 4134.205055 30427.11519 51360.52173 15565.99102 890.2863788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14378.79059 1806.452624 23153.6409 7599.645022 27358.64328 5499.452005 15788.25156 3821.893576 Prostaglandin G2 2-glyceryl Ester 7513.036388 18262.90218 14292.49014 13869.38885 12423.56793 12102.63761 14913.11036 8091.00646 7355.398817 95446.69487 82801.62321 114797.1519 96404.41701 111429.4288 105870.8961 81946.70547 174391.9481 36494.29236 5390.733564 7011.955778 5476.703359 8424.573115 7818.832792 9778.973239 13885.96582 2468.67823 9178.216388 133393.7722 81367.56769 74978.993 77387.30667 78732.50488 119650.0978 103298.9791 155773.5981 122632.2662 31352.92567 6874.896545 3382.630434 13064.38138 8749.682831 5169.352644 8031.137566 3874.881448 11609.01225 20539.533 6746.720167 5813.799022 6123.268215 5898.811285 96765.56345 3871.934708 84086.78657 7227.488594 1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid 14854.22021 39148.61555 31065.59983 26616.52401 29305.28534 24190.74103 35777.11844 28153.362 34869.41784 4486.382953 3079.683185 10985.42759 4585.102265 9945.012162 13108.64903 5071.059448 12412.87341 30794.80381 32412.55235 38334.90727 39695.49822 43421.96757 36035.94373 32933.15102 37040.49176 23756.96379 23370.49048 4424.092564 11663.84332 4388.052454 4896.827218 8290.010599 3866.863681 6913.008276 3560.210704 5859.173452 31008.65258 31395.66223 38503.22461 48206.35954 46976.15749 37929.6064 28670.08465 19615.35536 31159.9957 75736.42465 48249.49255 34678.2048 37179.38537 31969.30346 12914.45512 31455.5401 4666.773197 29920.98551 (Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one 24481.35846 12974.68988 27632.47791 31870.70827 33714.69763 42289.14086 42166.77843 11521.73782 10947.25818 14425.8808 2847.410867 11013.53543 14396.68506 13934.03136 10289.57961 5888.807992 4.07813e-08 4844.656682 53609.09839 44833.76302 37152.69793 55734.14429 51940.97276 62957.61901 54304.25726 57239.18899 46223.82805 192.6192155 10920.46737 7372.156194 9720.986191 5944.181746 1941.464688 11570.15836 4.07813e-08 18300.29033 61231.26961 48444.90589 55953.60968 40387.63869 48654.18413 64501.0777 58894.12334 64801.95017 36108.25877 69982.22061 58070.77523 68532.63516 57732.46749 47542.794 35078.70941 59542.26047 15113.65783 69164.75516 (E)-8-Tetradecenyl formate 40440.17126 38446.02634 38982.06945 37256.41447 35922.11825 33597.66643 32644.7179 37223.86243 38958.59217 24579.3546 23222.53882 20447.41098 22827.65112 20737.85375 15282.97978 29775.27207 18172.96319 24132.14698 25571.17847 26830.25798 25957.20167 24072.05419 21805.10845 23321.32286 29569.49503 30519.23812 29215.46212 22050.55977 25139.70954 29110.78858 25281.78651 22987.18753 26452.30385 22032.51615 25797.19542 28450.90941 31791.69681 25215.17633 27637.77677 23438.64296 25067.13063 27079.07484 26406.23327 31968.04741 27155.44414 32019.40832 31582.73164 29342.3446 31494.63336 30248.97997 20794.55071 31629.79233 28924.47001 33381.98927 10-oxo-nonadecanoic acid 4.07813e-08 807.5887316 1481.076599 2970.322033 2697.626153 698.0575404 1064.650037 2793.536421 519.2240539 904.6803063 1879.835085 7475.03716 910.4318676 3792.396581 6543.917938 76735.0287 35164.99014 15638.24629 1497.327065 1.727596541 1639.613838 231.0978042 4.07813e-08 4.817755319 0.800050317 6325.097577 810.1554567 4902.096514 1118.968985 6473.660299 866.4496384 608.2234057 2366.049341 555.6517274 36525.54054 8140.640372 260.1225762 773.9186892 4.07813e-08 1568.289304 1339.534034 4.07813e-08 4.820802905 5604.663467 1264.176846 4.07813e-08 1046.443083 1048.995806 221.9836841 4.07813e-08 180.404603 835.983746 1139.287296 459.409547 N-Acetyl-L-methionine 20839.4101 19362.07732 22324.94235 28142.90252 27883.71376 22149.29287 18462.64598 17921.00287 15594.2645 3256.052661 3366.269357 4076.09524 3902.114162 3347.858936 2122.154873 3656.931267 2769.223085 4266.157409 25400.59387 24370.5885 20104.5106 19323.40635 23230.73822 24584.32915 22320.57383 24930.87664 24623.68951 2685.128968 2938.865348 3497.571081 2595.580124 2972.047391 4530.112738 3005.073987 2935.946026 5981.569214 18207.20794 21347.55538 18695.0452 20975.88055 20479.09313 23519.36689 24650.42533 27520.36551 27003.29369 23782.5974 16125.46798 20248.6118 18008.08924 17694.53524 3599.601759 19295.07853 3751.814683 19706.54739 Tryptophyl-Arginine 42602.72015 96135.02333 50501.82817 88225.61093 62891.73458 50984.82549 82730.49268 114263.067 63190.47841 4197.991731 4607.366781 5284.639447 6185.215644 6391.21985 8889.798372 4273.365856 12517.45594 7776.264274 10420.84151 4871.154817 15690.79569 6221.541949 7220.486557 6289.516591 7595.04738 5180.102064 24843.89998 10008.1066 7335.443429 7243.096889 5719.936899 7300.552312 11115.77918 5236.632425 4430.682314 7457.652896 23114.66401 32055.10964 45748.21564 34394.83487 32981.73173 22570.91822 17357.5411 10575.84733 13435.57372 18650.49536 22809.22448 35204.18149 99928.0527 106837.4684 6919.652672 49129.57243 4003.973903 45974.41127 Hexaethylene glycol 201890.4538 228539.2589 222779.4563 199898.8362 206879.5695 165568.4843 185339.9575 181257.3345 166467.8061 114029.0248 125392.5756 209923.1484 142449.9393 133534.3491 108709.9277 174496.0968 151671.7977 131043.098 179006.9732 170920.1353 296468.1798 185701.3129 144732.5704 133343.722 164498.2635 199654.2814 172541.2169 117564.9021 122512.705 140709.0046 137801.6124 133082.7707 109317.276 106649.3981 241452.1059 142328.6732 175350.71 141838.3493 152059.9272 150800.411 154179.2571 147301.0943 163266.2586 194454.467 180778.9074 198821.8159 177944.1776 165873.8492 166540.8982 188565.8362 107694.254 167954.4646 172356.6428 228364.7392 Petasinine 3842.474899 1870.770316 2631.678699 1083.674797 1616.761084 3180.700991 3484.059771 2584.760439 2485.354383 4.07813e-08 147.5290692 136.4914177 148.5395175 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 167.9825587 14054.7135 12025.44723 10223.63761 10307.34955 14659.65577 15632.73304 11433.13786 12850.88787 15022.27335 298.7332593 203.9349496 4.07813e-08 175.1611431 538.9108219 418.1800942 769.0063602 4.07813e-08 4.07813e-08 7657.085644 10440.06074 10155.93121 11168.72705 13079.60889 12883.98571 14477.68482 14867.57374 14379.55344 9794.980268 5978.331787 10239.9717 7675.278077 6687.169096 803.766725 9032.187161 614.1772815 9733.680273 PE(13:0/0:0) 1492.609523 593.5544005 1132.178521 2278.405955 1918.172839 1714.255277 1767.34318 914.8853984 1464.215311 11355.89115 14048.46193 17521.43004 11641.72091 7331.418639 9997.702554 22835.17414 19244.97426 1947.119652 9809.738455 8713.220081 7603.753527 7455.006967 9363.021885 7048.750752 5177.11214 5766.021835 6749.862841 50612.86808 15060.84469 22795.65152 30136.01419 24091.13866 16564.77851 15918.69017 49384.81439 19032.93502 3463.746642 5921.218534 5136.477626 7038.205544 9793.664718 7498.8194 5813.153915 6641.852292 13865.6348 4355.21902 1622.269232 3776.470838 2543.385579 3025.714366 26268.31575 5090.483505 13910.77427 2440.175273 3-(4-hydroxy-3-methoxyphenyl)-N-(4-oxobutyl)prop-2-enimidic acid 98632.22885 155536.3254 62365.0528 104960.9788 67530.63939 63675.6175 120233.0269 139014.4758 129116.0493 24617.67512 22684.07614 26205.37695 25148.41183 18787.91855 18612.42574 16834.33934 19799.5173 20091.6563 37942.64881 62418.4712 57862.72418 33152.56406 63102.46633 54646.64298 60192.03886 46998.46072 53087.237 16604.62421 17157.28219 21534.68296 20351.07156 17106.84565 16566.85395 18369.63033 19354.36393 21669.57924 56740.77393 54758.3343 45570.07634 73450.12166 37425.1611 62046.10115 53473.58785 45504.19791 47814.88324 42154.20484 57294.38863 37401.42473 83939.36518 128823.3434 16945.44365 36687.21986 15651.11487 53828.58417 3-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]propanimidic acid 11865.10031 27141.48569 10246.69677 14715.19846 10287.15889 10906.89505 18694.47704 27869.77099 43258.32407 48718.62161 37463.45828 26417.57321 54576.41077 27758.99317 36809.41706 27885.5415 41826.97376 39389.43354 2568.615737 4765.34825 7412.166529 4428.473452 4226.776265 4822.658839 5245.422239 7689.378837 6564.500975 37541.83231 32397.66512 30404.25623 28549.38738 32542.26608 25320.78092 30360.41263 26921.2756 33796.47645 4747.441035 4861.013481 7392.576776 6001.400656 3216.816091 4554.565517 1859.676718 4103.598364 3332.605153 4495.658755 15490.22877 9657.20294 19312.24145 27271.06992 27659.75113 14759.4961 26758.68253 8322.001158 LysoPE(0:0/18:3(9Z,12Z,15Z)) 2244.441158 17971.56551 1308.731878 3718.801046 2773.578565 1912.326518 6528.55102 14534.7033 7311.855017 1305.212455 2843.612239 2026.555855 1990.513923 281.7712357 3950.785142 2736.828052 408.5314255 1323.128519 815.2229438 1704.302832 1990.128052 4709.122489 781.6699043 229.6829413 1943.077123 724.5975663 442.257158 1956.442517 3213.183953 1583.848635 1885.724348 320.058219 1484.767042 4198.66939 4730.550581 1171.822227 49995.83886 1281.717208 1313.95892 356.2450087 773.9237739 573.8023804 4.07813e-08 200.4413764 953.611452 420.4849438 204.2406747 1901.249209 11854.66907 15971.3836 593.558801 2705.879223 3377.699997 575.3848909 {[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}sulfonic acid 916.4064609 427.2463273 13.12749823 211.5028427 172.1157938 2046.20001 3505.098817 205.1770888 845.8821817 3549.403388 3917.955219 876.2458301 4529.251141 14318.68577 27925.52529 5241.948969 2783.560282 3458.345513 1292.07008 2333.433257 1673.132024 1183.851506 1996.166303 2763.739639 2583.698936 1929.840393 2680.257316 1324.875478 1202.025612 1039.947085 1023.842009 3220.905128 8082.215344 3570.780254 494.4361965 1985.251507 1081.637313 1373.560259 1579.740735 1582.688609 1368.411935 1752.667039 2696.449888 1532.176027 1710.722078 1390.697531 381.2402145 772.1851648 841.7033408 545.7895044 12330.72293 1110.864296 723.837808 810.1916877 (9R,12R,15R)-d10-13-PhytoF[13R,16S] 8263.335912 56965.05128 8718.265606 10993.25257 9728.172771 7045.784235 8906.185029 6651.317992 5187.101462 3118.684669 2903.081936 2343.021392 2892.142306 2655.517081 4853.706851 3458.509232 1879.559235 2912.161696 7170.419008 7714.99163 8681.919227 8496.266259 8381.477145 8858.935813 8655.782293 9960.082331 8585.966658 1876.916766 2185.789987 6537.105074 2734.629989 3177.090071 3006.813013 1993.169347 3218.99229 2549.567841 7540.792708 8541.6666 8351.846828 8065.713527 7519.150546 9231.493946 8550.926414 8268.214141 9548.017918 8717.566189 6647.01136 7055.773049 6001.52474 5497.648069 1784.187973 7484.910556 1979.256528 7120.115631 L-Citronellol glucoside 39488.28312 28481.59836 28315.50633 33159.12472 44171.90995 14095.63494 12163.49288 23309.93536 13348.95784 7819.202324 9545.897896 12174.89883 8212.45715 14897.75032 1309.765527 6778.644195 4.07813e-08 5831.236545 40136.87903 34670.45337 26150.45435 38811.13121 79627.26066 25815.3272 19112.55773 28400.63302 25558.70875 4.07813e-08 8034.201816 19256.33871 3455.71655 15259.12186 3947.673585 3139.361827 4.07813e-08 10121.71405 21478.54634 45854.48561 26163.11675 37021.94982 47760.04104 62326.94057 24466.96938 27233.93391 91786.05939 16339.08787 25579.00447 19637.13804 18761.12921 15058.6738 2764.867908 28399.42764 7535.701027 42838.62568 (12S,15S)-15-O-Demethyl-10,29-dideoxy-11,12-dihydro-striatin C 57335.9158 26066.20457 44325.48272 39480.31095 99316.82358 49878.27487 30261.27992 87939.99814 52870.65781 12741.22934 21847.19048 12334.33077 12943.20245 20722.76779 26865.42123 6337.11201 6913.614712 133841.5193 15807.10403 18142.79894 17696.85926 13301.18905 29158.09693 22165.75118 14908.27911 12244.68336 16877.46129 5123.754525 10897.43958 14445.09427 11902.12528 14721.31358 13084.5414 15050.64807 4072.149751 21110.60186 9846.830845 13481.87784 12723.86548 20743.48469 13677.18731 19240.36512 20829.32921 11220.55373 15838.10986 18806.79323 10598.05434 11900.00624 9102.267963 6784.450494 15449.53551 10091.81099 14542.52194 20022.36206 7-Methylguanine 19712.81123 20620.61638 19503.22364 19533.61054 24927.71062 18915.77197 20440.23093 22827.46941 19802.9664 34433.62101 38139.97959 22631.55665 36141.1238 38513.92686 21436.645 41671.13407 47300.54009 53199.4903 23867.14838 16537.34071 11914.14856 10381.11813 13386.08869 17465.89049 18798.71216 8737.45078 24573.71479 34301.48209 36778.15573 58112.64779 34280.46452 62513.09788 34437.2906 50597.49153 42718.71964 56383.80978 20987.62003 14199.29237 17656.96291 12200.24011 18213.04839 12977.34082 21975.94448 12097.26553 9146.041775 32970.8217 18914.17977 20085.56457 22868.55732 17762.45562 38330.20982 27831.51158 35684.72403 30754.70856 Dihomomethionine 11625.8529 8853.056924 6529.549317 1638.734622 2250.891469 4609.697993 6294.679751 9865.980007 40606.00127 168.027073 260.4094362 112.9881904 139.4657813 222.2187997 50.53259058 75.87343906 59.88619782 195.1660441 8356.760935 6919.98451 20973.59914 8626.719883 4849.570704 3438.605794 9234.985268 16227.71215 5320.488509 44.60650584 35.89238385 68.04526675 86.32525928 4.07813e-08 153.4518392 195.1227756 42.55866596 4.07813e-08 21805.05824 6252.03582 13928.86217 5549.87546 9260.374759 15063.63495 2585.920989 13078.97884 25924.34899 2357.118637 2292.211902 5663.359036 23786.58949 9672.640661 52.43749723 4885.688103 4.07813e-08 4237.325782 Hexadecanedioic acid mono-L-carnitine ester 7488.319542 9156.305065 11549.29831 12789.12066 9848.858686 12199.20374 16298.71105 9122.859013 11580.4955 22919.57163 34262.28373 26943.68616 18870.27702 62701.20133 66002.40249 30174.92742 73726.27519 56573.32543 10603.64081 10923.19702 7253.019305 12861.21366 10135.91835 14863.5892 12806.75734 5971.129612 9083.93375 18347.10468 22786.85951 30717.0486 28443.56279 60286.95228 19104.45726 25374.30569 32264.55729 25374.41066 7574.524005 9944.061037 8636.792903 12135.98225 16203.97467 8633.280579 11972.81755 4955.153702 8171.507895 19984.77059 12593.43645 13020.56085 4738.849755 7572.505197 29320.39987 12888.92609 23175.24399 9625.234789 Phytuberin 19005.85618 22905.66976 37943.58642 30012.34071 22555.82989 29880.73824 16099.15184 22629.85435 31246.40643 18762.9214 13175.86501 9830.616684 23369.26669 8405.632857 6479.946993 12242.48708 6823.881831 11235.67023 52313.77814 60346.99421 23248.32074 26207.35451 24149.01825 60764.98989 37111.02933 49484.46911 24090.49575 5168.292309 7562.952978 9881.92222 8948.191227 12019.57868 15186.34522 6370.741491 7566.622343 6667.611962 21110.60098 26558.43179 18703.65677 27829.96055 21720.96439 21526.07369 52291.23513 24762.27719 50501.02747 43482.30882 19409.88404 23961.3032 14050.70565 12692.68854 8087.318409 30626.35677 9507.620158 15727.60376 6-Maleimidocaproic acid 401037.4996 409547.1512 457121.6533 605836.5305 573442.5355 412348.344 303273.6888 391133.3326 351670.4057 173844.8506 176116.9872 217547.3905 193484.6547 204330.3319 99627.1027 135657.6819 118511.1836 158457.2387 465738.184 331770.0756 309962.224 374605.9814 330463.3945 347612.1712 348513.0013 530494.0748 369100.429 132349.851 149957.8077 259122.374 127891.1583 218517.4304 202722.1957 169675.2065 126666.0365 180982.4921 412600.0403 433569.0127 399504.3371 427613.931 355947.6499 366544.2727 334460.8577 515234.7798 609345.3528 310058.4059 269927.4769 271905.5463 343595.3085 319021.3891 206927.2539 284922.0452 175814.1117 208134.2819 Dihydrodeoxy-8-epiaustdiol 20854.89021 20296.43133 27051.32519 34165.79695 37800.78708 23381.45485 24348.86316 16595.94008 11356.96213 9237.351008 11223.48129 20554.08479 9932.924198 16789.01715 9857.436064 12531.31936 4784.166173 7653.247476 40768.53284 36710.18051 30747.66237 35926.02031 42405.6871 36763.36836 36225.59176 47330.5329 38983.53808 13614.6147 14095.82015 21473.39462 11222.51146 22137.92873 19190.12526 14052.35798 12323.08724 14920.06146 31727.06437 34455.48539 27106.56266 34096.29359 36674.25455 41196.93411 34439.57713 46792.81058 45544.15954 29982.73609 23672.39323 28363.11803 25892.65377 23579.63521 17450.80118 24275.23192 14337.94652 35559.74655 N-Lauroylglycine 208896.7206 157239.5966 242904.1239 250976.0153 290523.828 224764.8961 207099.4677 326734.3933 271263.079 4019.022385 4795.931248 8004.839325 4417.207344 8882.205141 6863.877963 5690.673748 7106.621738 15471.54924 331704.5807 308150.6507 270097.0205 246754.7407 336301.8015 294361.4712 236210.8159 320743.1196 318914.5829 5690.074287 5695.284496 11404.06816 6236.157174 9833.883859 9784.006678 7945.26076 6710.546463 6805.100818 190555.3694 275363.4129 241764.5389 275872.2841 263183.0179 297737.0264 278630.1896 319848.0543 412225.52 188768.4875 149106.1205 206768.5571 180848.9191 164626.6649 10630.77189 208185.5448 7663.735322 218141.8561 Butalbital 12751.5516 7399.878536 13056.52385 11738.78392 15660.65225 13402.80114 13409.72213 12409.29795 8300.237456 132.4730174 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 270.2481204 4.07813e-08 4.07813e-08 65.99802618 16311.4973 25775.84054 4327.48515 10878.31308 24764.65751 28887.13475 21585.74706 11407.57223 22820.32372 4.07813e-08 73.56521202 68.07344191 4.07813e-08 4.07813e-08 26.76988741 79.76149789 4.07813e-08 179.1821422 11598.27963 16885.47032 7386.441551 14660.13181 16783.16858 20701.03671 28624.73064 11507.98036 16357.04187 24759.89 17201.16503 13498.7283 8443.361495 4387.662792 137.1843164 13105.4048 105.7213768 21121.27875 N-(6-aminohexanoyl)-6-aminohexanoic acid 20349.83362 26075.51641 6536.262616 16101.934 8738.962905 12516.22821 18116.84011 18216.86523 26611.86078 8493.443007 14449.10848 7250.236098 12482.88612 5180.779849 9559.273692 7370.829632 8635.139958 5075.650547 1781.37792 3715.931214 9843.645731 4187.61884 8719.595688 4633.867781 7246.300658 5015.861586 8516.919285 5329.469664 4222.979967 4441.138214 8785.126329 5113.690638 9422.553843 6595.763227 7369.325975 5182.828678 10962.45021 7455.669022 11306.33304 12496.30905 6712.251648 3948.64305 4844.291147 4099.265504 3770.054176 6725.631975 13043.39619 8878.196867 17056.96403 35376.25218 4191.467854 6926.754088 39500.97744 18761.51005 (3Z)-3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one 8494.519716 5729.493644 11128.70141 12430.95096 13386.03451 6631.122625 11072.48502 8104.237626 4175.166113 275.6595829 148.4157642 219.1837863 274.8294537 126.3559787 4.07813e-08 215.5133901 254.8743703 147.0437804 19653.11345 24952.85464 5896.938988 17713.56768 25378.25411 28973.31452 22686.48238 15697.97624 33285.62193 60.24464776 237.5556223 302.4408172 143.5883559 71.07526878 77.24382257 208.5992905 192.7181292 115.3731879 17966.51817 21292.75923 10620.67212 16430.30052 20695.67399 22395.95557 28202.02176 17903.97266 18285.20972 22365.35897 13248.13048 15917.13508 11064.09283 4993.062675 342.0045768 16275.17995 63.77083063 21454.76118 3alpha,12alpha,16alpha-Trihydroxy-5beta-cholan-24-oic Acid 223478.723 375750.2258 494275.1598 168044.5285 134564.9739 447721.5652 154266.197 817773.3885 814587.2194 23247.2237 22946.61367 23975.0957 21910.20345 26240.20233 19015.18376 9709.908802 26812.57724 19378.79511 1255120.995 693153.1331 905722.5924 406133.594 335902.0024 77500.61546 150425.8317 59854.38806 52757.91189 10713.96719 17178.59069 23911.82351 13871.61208 19834.02662 15831.06884 12611.49396 16527.08644 14748.9513 570607.4719 436085.6912 1017232.529 782209.3377 257185.7682 359509.2186 74024.39803 52291.84947 57865.82999 2098000.664 1434146.43 736202.0644 771408.1515 334345.6253 92239.76423 916057.9615 29480.86487 329905.813 N-docosahexaenoyl GABA 359.9561564 313.248896 20.00436105 4.07813e-08 248.7828998 178.8917839 15.16156616 1765.458968 3460.883395 13384.81722 19137.88919 35053.5946 11398.17412 64733.30357 79337.53806 69424.20019 58856.02992 18019.35211 19.81467369 168.3058633 85.89806137 253.196752 12.73478944 16.20878983 5.443391977 4.07813e-08 18.2607049 39035.83526 15187.77192 14243.22139 22136.70374 17343.73156 23617.42697 27551.27702 48461.70428 26865.33816 25.42897405 12.37075015 3.809159209 4.07813e-08 25.5483711 8.239037059 11.7704701 4.797195317 10.72797566 429.6253959 1536.558588 289.7301592 2884.955099 403.9507195 12373.21126 314.0565322 6703.110021 947.6025808 3-Hydroxymandelic acid 26954.14745 21406.08934 23924.19391 20641.28699 24574.01496 21326.05964 22617.95599 23688.53233 24886.70762 12063.50524 10684.30031 11101.31303 12318.6311 9153.050101 9784.28617 8128.652397 8366.657355 11568.11273 38501.0334 30895.59047 32984.22948 33229.47578 34654.01071 35595.47893 32081.16599 48811.54582 40357.59209 13675.65958 12985.30261 12724.66938 11692.09851 14890.2531 13385.18269 14571.84476 9784.043931 10876.52069 27593.07615 25296.91594 28834.90602 31557.47285 35490.29431 34000.53592 31213.15903 46359.0418 43486.59665 27796.77151 19904.08148 28703.22679 29284.41915 27288.21458 15792.37866 28403.05231 13404.31918 30452.02778 Pyridoxamine 6941.485902 7502.987078 9037.601701 6218.643533 7976.90953 4492.984588 4325.406233 3956.646655 5992.38903 3410.281282 1318.553352 1108.410299 3192.848599 1010.71313 989.7161915 663.0793279 850.7727422 873.4371756 16466.81108 30518.78206 11617.83239 14753.90769 24064.21419 15954.90217 19919.49443 17226.07838 22244.4847 3881.542554 1083.015122 1930.787553 1464.687137 1020.758901 1716.210433 6557.821333 2303.509005 2029.579692 18446.62785 15777.44848 6073.770698 25676.38957 11441.38431 22411.94399 15948.03682 19630.61851 15532.32062 15542.88884 11235.07888 6073.346019 5765.926631 8339.697259 1356.209806 7230.761049 4670.982035 9318.869819 1-(2-methoxy-nonadecanyl)-sn-glycero-3-phosphoserine 4.07813e-08 654.4326749 4.07813e-08 19.84908028 4.07813e-08 127.7057099 4.07813e-08 1016.203549 5061.606908 17334.71714 6245.083825 192102.1022 18749.75384 134947.8118 385053.8293 92679.02336 873990.6939 451957.5239 948.1727631 167.0864715 1697.082086 8.391684207 7.944754585 47.67699288 217.8429017 4.07813e-08 4.07813e-08 192543.2578 56886.00714 8131.132972 167054.0406 11633.50422 27177.70047 74966.86569 175412.9772 17269.4416 662.4193713 4.07813e-08 49.58357156 22.39278551 42.64517342 4.07813e-08 58.68137962 4.07813e-08 4.07813e-08 4.07813e-08 9493.178464 1009.030841 13255.59273 8483.232233 42171.38302 3480.928633 41267.13645 274.2570705 2-Butyl-1H-benzimidazole 1088384.165 1050536.786 1017191.988 1043135.493 1012171.809 879974.5957 933878.6068 988214.3094 1003018.691 693640.7645 650332.3861 634949.8964 666075.7555 698389.298 585602.726 860028.2897 643589.7615 736390.6733 694777.2466 724487.8563 679170.6413 713610.1684 672083.2463 689826.3154 810526.5356 884085.1061 820725.7609 617190.1891 719081.4464 795458.9799 786426.8274 695054.7074 728394.0415 632087.1477 754212.4554 800620.1683 848902.8724 732305.5149 751487.8745 674548.995 680821.7166 723469.6393 738858.5936 889196.1495 789648.5792 847749.4596 797945.7472 767436.7625 845666.5309 820796.35 617066.9116 805338.3623 795115.3231 943599.0643 Propyl cinnamate 46365.05639 25006.41219 43694.64398 44422.16081 66036.61771 21923.35151 40654.85838 51149.96879 32902.75131 75.87084147 93.08267462 68.04327587 78.37035119 4.07813e-08 112.1386 4.07813e-08 4.07813e-08 50.4144028 158726.3934 118823.334 97305.87443 129204.8739 144333.904 123861.4195 111234.4931 199710.3363 184866.8198 191.0374981 81.51259668 35.97460985 420.3372687 391.2701045 73.58245331 603.8734371 39.48597435 74.17130213 95708.63787 99042.10259 90030.31521 114878.2188 147172.9512 138991.9961 117591.0838 189511.1252 222125.0724 53820.67466 60155.83382 67301.44142 76974.30604 58110.71091 570.369648 78100.23623 474.8389987 84367.72893 Gerrardine 4088.818817 5314.384001 2491.181493 3279.864464 6762.291783 1832.162365 2478.443812 5526.169049 9253.587429 4346.476346 10111.83197 7589.021304 3867.745661 13495.21011 6032.853201 13411.65896 22831.7413 15065.16355 7831.088383 1342.188723 3030.051611 4999.150098 502.6109279 4.07813e-08 1466.384995 193.2972407 117.583128 5772.211591 10917.24095 18042.44581 9608.598565 22906.80519 5492.116648 9379.196508 12813.98978 19230.89533 10092.26216 1068.119645 923.6334895 1222.794296 2919.380667 2320.153688 4.07813e-08 4.07813e-08 487.1546565 4.07813e-08 2461.953466 3519.738887 9215.77667 7060.866983 10603.81134 2768.946077 6419.534687 1987.788156 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)pentan-3-yl]oxy}oxane-2-carboxylic acid 10538.78234 16673.88616 4199.801915 19326.70375 5336.840619 2154.100819 4347.618263 9645.972558 5577.328852 12627.46465 16300.87393 22117.6032 14359.9947 21625.59083 12930.46583 20628.1242 28105.09951 27476.70101 861.2803329 847.9351508 5170.802183 4208.342858 893.74718 165.6988941 4006.770169 926.245596 735.4427658 18356.53029 18333.76527 38899.03552 17329.38046 35571.67284 20760.18831 19436.22855 24478.08847 28756.90869 15198.0942 1926.051394 3467.838429 183.4698717 1688.958063 1882.359945 504.6798854 926.3859474 2486.490854 1218.000584 3809.579362 4760.075709 5910.199225 11642.68934 21662.25715 3419.466364 13562.56484 3037.023336 Phenethyl rutinoside 4139.381383 2559.454936 4030.958375 2134.022037 2725.330981 2757.018827 5582.826549 2962.001771 4303.254669 1728.123162 1880.286719 613.0912045 1392.683562 1731.29604 1800.254598 758.4462368 1841.127959 953.4145044 30030.21725 25606.52015 22369.92039 22209.09022 31111.05168 27216.61374 27486.85302 28436.39112 25294.24916 3963.476671 5021.549717 1399.608404 3076.407701 7257.25471 3096.207181 4499.959425 1373.274049 1094.139558 15431.55886 18881.82533 17509.0793 20841.49946 23147.66843 29301.48459 22618.6226 29942.69439 29376.65122 20274.32913 15161.00998 19808.54476 15504.95005 12981.87883 6116.055996 21624.13602 6239.139334 20087.84554 N-docosahexaenoyl histidine 10834.41343 5220.883224 13249.64316 11200.09979 15843.53902 17857.10368 18357.14828 13118.45799 6466.851375 1416.343319 1308.599173 595.7483235 1936.319207 465.1314804 682.4736247 910.6619962 621.3193496 537.1671061 9360.364964 17115.9595 2923.767324 9973.627653 29605.24589 45874.30084 20180.01408 14718.75228 22616.66224 450.6443165 754.7737903 530.2434342 719.2942121 794.5113659 685.7611302 770.5507239 370.002098 403.8512558 8093.697734 12768.29414 4341.974737 13820.61602 19441.79968 21629.8824 43244.53808 14341.57736 10247.04517 30673.04762 8288.641148 11286.95429 5211.571653 2885.228287 280.8826795 8486.632289 1359.368392 38491.94688 Indole-3-ethanol 2325.217393 2039.093231 2007.647248 3781.214776 4077.197647 2560.534327 2179.973691 2378.776349 1538.335955 138.1911325 62.13945443 23.21704326 196.5259223 24.9722364 24.10340584 4.07813e-08 0.052166518 176.9757727 4329.180016 9176.131003 6728.746952 2628.429683 3799.576366 2347.275621 20897.36308 11598.67033 4038.737139 0.519168948 0.394385487 142.7410312 131.8976058 61.07697346 62.29948594 0.416341355 0.259517302 45.07462025 20857.12761 2881.227027 2841.773269 6557.966818 2403.716255 17922.96438 2701.278628 14429.41457 4073.150177 17124.2002 1312.17173 1835.33205 1698.304718 2041.379166 64.04980327 2420.043609 128.3138848 2861.490751 S-(2-Hydroxyethyl)-N-acetyl-L-cysteine 21187.02879 11692.7074 20447.67184 14688.43543 15973.7354 10850.10313 10162.21151 9762.126983 7168.906535 47443.59144 43732.88397 59376.7679 51305.1673 29536.5216 56642.73849 70991.22176 71266.45583 57534.70212 21871.09888 17510.26959 19474.64725 17235.86639 18247.06375 16983.95712 14583.15656 17782.80375 19312.66941 107872.2082 62229.82298 66723.30774 85243.32639 89656.30433 66672.12829 68155.90455 89038.75521 42062.60434 12654.81162 11807.6244 12793.62673 13068.16722 12275.69013 20078.94286 9866.548763 16033.90812 13262.90136 12498.37466 15378.95574 14380.74569 24739.45788 20209.75322 110938.8449 17198.85695 72818.93892 14389.41747 Lysyl-Hydroxyproline 44424.98468 51317.04476 42197.8837 57160.22999 52687.70447 48127.36179 42508.69104 69976.31339 51823.2817 15963.62478 15688.41585 15773.95915 18236.87098 14574.33915 11867.48992 10311.60656 11870.5098 12423.68016 39675.32597 34051.6368 39513.08705 33673.7702 43052.89057 33644.22427 37231.88963 46813.06744 36208.09804 12992.44121 15665.5988 17282.85587 15131.19234 21465.43869 17617.18881 17060.56093 10592.40061 13227.28314 39557.07338 41419.23398 48041.48231 47432.14681 40759.89498 40185.11245 27425.89242 42924.11283 43144.80577 33050.29072 31513.4098 38493.3464 47675.36416 55158.16581 18915.50071 37217.37108 17460.91558 26422.82111 3,4,5-trihydroxy-6-{[(2E)-2-methyl-3-phenylprop-2-enoyl]oxy}oxane-2-carboxylic acid 4.719374511 4.07813e-08 2.225716433 0.00898744 4.07813e-08 4.07813e-08 2.144647277 0.213338156 4.07813e-08 517.41434 63909.61438 10.20964745 264.3941233 79.78295748 495.8714145 29354.9772 185710.0351 57.12014387 1.661257619 2.81351603 9.874342543 4.07813e-08 9.544387025 0.540409389 3.564690238 0.376198003 16.93956139 139307.3265 77.52640199 55262.58533 4.07813e-08 135555.5834 49028.64739 670.3183193 73600.32264 77.70209675 4.07813e-08 12.39171904 1.782122598 1.682985242 1.553138773 13.05274184 4.139231123 3.802549084 4.07813e-08 0.384392223 4.07813e-08 0.893112527 2.522873129 4.811465998 177.159203 0.296710344 12986.07143 4.07813e-08 6-Methylquinoline 170858.5305 133503.6307 213445.2217 240747.1125 607519.1788 307925.7409 385328.6659 591302.3785 131232.0153 615.6318222 334.2378816 565.3853044 441.5043513 245.0941298 497.5069595 273.690504 503.4108596 558.021181 331437.2535 345462.1713 356193.4736 242100.523 256402.6024 177521.9448 340805.3264 674460.6926 330966.5778 701.8446368 414.1009012 627.0461415 1249.317178 551.0645458 4576.559213 1129.188916 866.0292409 541.2787127 403550.601 319738.8935 469497.1496 388613.2105 204263.1742 327838.6648 264905.3797 761884.9231 107964.0318 606271.6253 172843.0829 341264.8166 300150.9284 360825.7347 699.397459 453213.9255 541.9940326 719342.3725 Butoctamide hydrogen succinate 26259.8461 23008.65498 28388.26131 23461.85063 39395.80888 25218.38115 33109.55563 20101.70784 17523.4339 139.4088056 4.353539224 65.60493729 51.12874151 587.3795697 13.95862895 145.2331707 4.996217041 449.6422518 31078.62269 49005.53406 16250.57482 30627.40777 50785.75948 44606.26788 43038.12148 45329.77089 48943.75361 34.56411623 0.078529097 13.35286416 63.95464139 116.3096254 64.37970787 4.752943642 27.77606876 610.1788207 22118.35237 28285.70527 11573.97683 28908.89234 39629.56261 44460.09971 42058.32651 47003.69664 48518.18291 40712.21303 29913.7633 26057.80981 16498.88868 9356.618615 263.1835069 19597.03182 36.94373989 42511.97485 16-epi-16-J1-PhytoP 69709.29259 51244.35184 58803.31018 54991.21808 55413.10682 48712.37889 46027.68151 47280.43236 47902.09809 27912.79031 22535.15859 19315.9638 28919.9801 21197.26358 21324.41173 14951.51404 16989.3312 20053.70318 88741.36036 60743.02209 73280.31271 63746.79731 77296.79104 66763.79955 63586.95834 81578.96187 67429.39697 15327.30275 17715.39789 22388.21257 14058.237 25170.66498 20335.44541 18695.57304 14058.31906 15288.9209 51801.63159 61208.47371 59379.98366 63998.1146 67928.36566 79337.74424 63236.92235 83426.05456 101259.9754 35066.16096 38827.5002 48238.78644 45791.87547 41611.39223 26062.93365 51156.84167 17817.09955 59190.37921 Hydroxyprolyl-Gamma-glutamate 37395.16132 30265.39469 47477.52599 42389.47288 54100.05891 46789.15846 60521.98773 43872.40673 39620.84106 29340.59115 32236.07935 37842.60268 28753.2737 30724.64409 19695.20934 23504.32053 19389.44149 26036.99927 55655.8229 78906.24699 42516.26674 49023.47222 82920.93186 96748.25994 77646.65365 90329.21339 100243.3319 23008.7991 31121.5447 40290.16003 25379.56412 36859.41524 32307.58854 26644.7681 26732.28451 28953.64653 38086.42884 49909.64704 31515.80176 55858.42481 60625.3744 69770.41369 103336.72 97749.38548 84820.1625 130629.8336 76499.45137 46838.53195 37179.304 35857.46151 29642.23492 47941.99167 31547.32728 88988.23892 Phenylpropionylglycine 20238.48158 13476.97855 24712.36156 21644.04616 20898.10379 18083.15343 20223.876 19039.05212 16534.27891 3881.851233 3546.855422 2810.247217 4952.091191 2396.292144 3112.253643 2540.633212 2417.206342 1417.956456 35300.02706 48432.8262 23618.47166 33398.9271 47403.20997 47133.90383 40260.56305 42801.15104 47298.27214 4812.454414 2701.436349 2998.642431 2020.671496 2494.65246 3297.918491 6146.771435 3105.100708 3927.331671 30508.45952 35911.7888 20110.22416 45314.65115 35256.51569 41318.41932 43131.0007 46578.77209 45452.9641 34400.19968 29990.88396 21448.42885 15974.54169 13705.32095 3007.611569 22604.29535 4355.596231 30048.46237 3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic Acid 422.7057642 601.6032583 7387.658826 201.0021618 3405.004503 29762.64573 1904.728763 1905.999831 2778.899013 11.51226639 7.842620059 10.03701326 4.07813e-08 4.07813e-08 6.985740678 4.07813e-08 13.79437017 4.07813e-08 22629.69355 29051.88853 47447.95437 20925.9364 51694.81965 69086.32957 15446.16935 1719.571778 6297.998535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.43338741 4.07813e-08 4.07813e-08 8.553157088 55.02484723 2060.048783 4028.533313 15527.29772 40731.05749 17234.67588 35793.98318 47484.41534 1349.825977 5731.586304 154660.4121 36655.97938 33033.53539 3080.622075 1355.00005 4.07813e-08 18256.20451 2.871537369 5614.320461 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone 3254.178035 4134.551535 4341.074595 4586.285574 7346.627996 5450.499274 4757.202929 5578.59475 4348.616753 3231.169906 553.1067892 878.1579592 2309.944313 1256.836882 42321.26373 1580.625786 3020.128167 1105.400009 8572.786726 7760.625621 7731.347117 7537.079372 10716.43748 10171.68296 7335.335944 9417.407182 9899.255156 6807.197499 1286.917224 2744.190507 3505.938937 4305.124022 7500.307667 5014.998624 3263.367103 3653.482067 3275.541541 5350.750111 4382.571609 9547.829245 7163.553005 8280.331501 9423.499354 9614.078631 8106.979976 8008.221905 4959.940154 4978.711514 5123.292898 2593.111958 4120.795636 5510.623233 2005.201624 6803.484215 4-hydroxy Nonenal Mercapturic Acid 43.46830146 873.9207214 26.50302583 254.5971594 199.5797151 1043.097699 1712.338966 92.79331127 136.1733539 34834.53432 19543.54741 8855.535013 36181.27116 7842.800605 25899.86577 5499.328868 8011.434872 3869.355637 352.5350417 241.7019798 296.4694306 141.0810453 48.35626791 779.2678988 90.36497366 243.074534 219.3624647 7494.025054 8354.014896 6288.054913 9207.243497 8800.363246 10414.13378 11211.38005 5022.238633 5747.738578 427.3490768 171.6566181 164.6835741 50.9293622 80.43781353 42.23728889 513.9662432 162.9643847 348.9520126 122.8083115 169.3922557 374.0119412 153.2793766 23.90747317 9652.977698 50.51890366 9832.97998 121.8978826 N-Nonanoylglycine 40932.7705 30506.81863 37352.21645 30183.79382 35114.87758 42829.53911 64458.62374 30421.37901 48257.67838 18593.89874 16876.51192 15808.17149 17692.03461 18250.1328 19227.4406 22055.22631 15623.10913 18002.86628 23322.45112 21736.9892 22329.55468 24897.2678 22008.05228 20717.32082 27901.33723 22559.53215 20423.86957 15264.30866 17360.53347 21411.25791 23211.49351 17886.20571 18139.50276 17566.65986 27461.10408 20782.03636 32362.13274 26652.57671 29972.62313 20409.96179 21368.17949 23505.49354 22266.80816 21695.35761 18699.22266 23960.19809 24311.46109 33355.40279 34895.27042 27265.66267 17542.4468 28909.27163 21933.20569 41791.76999 2-methyl-dodecanedioic acid 8268.270843 8854.838608 3628.376372 3293.143952 22199.8182 10538.46712 12113.28869 5605.845676 2889.253958 4.07813e-08 4.07813e-08 4.07813e-08 104.8403913 4.07813e-08 105.1487874 4.07813e-08 4.07813e-08 68.91300734 2387.782429 3932.505433 9120.214778 6723.21026 23384.73791 4234.585748 7121.493349 4776.698468 19123.17335 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.25021315 4.07813e-08 44.81388728 4.07813e-08 4.07813e-08 4832.484946 4247.908571 3663.057305 27115.12391 8827.701253 9602.538165 8349.846024 3692.188775 3422.230887 2925.572262 1054.132936 3509.782206 4300.799708 4243.615063 4.07813e-08 2049.330593 4.07813e-08 1167.427502 3-Hydroxyindolin-2-one 7238.276637 6866.542014 6762.249843 4985.05214 8426.2851 7106.926062 9409.221507 5439.169414 12562.82092 1425.306416 1253.219691 1295.585299 1449.360173 1560.361012 1093.616391 1444.574534 1163.579038 1511.668855 4121.12406 3950.589816 7490.212768 8787.02822 5530.539611 5286.223125 6197.2603 3356.824519 5563.251937 1054.428362 1484.746181 1319.150694 1612.332117 1518.441495 1189.3531 1485.007736 1828.038959 1636.185329 10842.41367 5693.973719 9580.349992 5486.922473 6002.614692 6372.155811 6227.39482 4111.02163 2598.005924 8296.42072 16073.4093 18425.65908 10766.85308 25370.74397 1514.520941 10422.30334 1577.444456 6368.084017 3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-oic acid 15889.96631 18623.35258 19462.22541 25591.64027 35875.5089 15615.17855 17661.47871 9244.754938 9406.477433 12723.6573 20129.9719 18265.98043 12265.7346 20572.75155 38995.05891 11125.11213 8692.8286 5779.093501 16919.93452 24325.29226 19071.10901 20217.23352 27606.24647 17645.88247 19358.28612 20110.69925 19445.09337 3809.39175 7283.042352 21801.98036 6319.007902 18418.47611 43853.61509 9404.621013 11974.11837 17199.822 12684.62334 13224.65973 12480.8859 18775.16811 19192.83238 24544.67637 13107.08763 19520.55288 19876.59735 25255.78648 22352.44116 15953.16073 11949.42092 14944.47552 35572.90342 19428.67646 12107.3081 17463.79576 (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol 9050.717857 4839.41976 7336.465564 8406.907103 25423.58996 2976.580396 4382.947586 13301.15993 15275.44127 3603.052062 2324.070338 13315.98082 4127.370319 31972.85683 21724.5722 13152.63526 10024.09083 63280.58729 3732.761877 15253.95556 6626.938675 7239.392463 3790.899943 1891.312073 3398.107259 14871.52394 2216.326787 3991.36294 3140.281077 1762.342142 1621.838008 3817.941029 3640.543145 1547.196805 1884.308737 5819.873864 7976.732585 4142.001283 3249.257438 11812.34073 7469.909923 3286.866979 1736.421094 13207.76435 868.3910679 9469.311164 13857.78132 4651.689598 9765.204697 5062.786247 9540.371431 8667.316822 549.7123146 2735.162521 9-hexadecen-1-ol 37960.79992 36807.66033 38152.0978 34351.67289 36414.75003 29115.24192 29803.79346 37191.98763 35930.47527 26129.71395 23832.88001 24078.56949 24269.44314 25618.65529 19195.33886 34880.02393 26995.50655 29061.61845 25314.74974 26577.12126 23836.67953 24455.7825 21179.05419 23621.87867 30185.83095 33179.12629 30341.64199 22804.33274 25981.47057 25242.13661 25495.00432 21608.29019 25808.97914 23238.56626 32750.31107 30095.02319 27476.54388 23946.83471 24744.67669 22915.983 24009.97258 28633.57536 27426.11504 35381.7625 27421.18296 31439.83698 26653.37053 25472.41841 30413.92932 30318.46797 23791.22208 28939.21457 30361.5309 34853.08498 Glutaminyllysine 35971.11022 33662.17527 51822.58823 58848.37714 63575.44332 46000.98497 38175.24602 39652.40545 34233.40521 11007.52996 14149.00267 14468.34333 11304.39953 14423.4769 5698.383697 12792.47757 6884.902432 11597.09123 65734.30772 54042.44226 63000.4476 56957.14654 65867.14493 66523.32789 63785.06413 84729.25115 75267.80379 14632.44881 12263.44569 22037.50185 14388.2775 19653.20316 14283.73437 15823.89609 9705.384947 12365.68422 45493.31311 60355.01245 59527.32619 66182.43605 59035.35147 61414.04419 63369.36226 85361.49046 81183.37518 45459.77656 36700.26986 50952.48387 51238.33465 39529.89267 13559.28846 44832.2694 15501.28655 46240.56193 PIP(16:1(9Z)/18:1(11Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19062.74015 25325.41743 23825.99144 53741.57533 30166.95311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21953.47662 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6884.204266 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3196.490176 21459.07562 4674.799745 4.07813e-08 165824.4892 2926.443795 Salicin 11253.87902 2116.920719 4435.130032 11519.89124 8344.62796 5811.426809 3183.704053 5219.535838 1621.656985 110.4690413 4.07813e-08 4.07813e-08 4.07813e-08 3.879601071 379.8375484 4.07813e-08 97.53809937 4.07813e-08 33791.85536 16255.77161 6801.310139 18688.19562 3027.574304 1065.907472 2394.617607 4897.411463 5245.950977 4.07813e-08 94.5944365 4.07813e-08 4.07813e-08 4.07813e-08 79.0490575 81.04614367 4.07813e-08 4.07813e-08 30737.42651 3094.79669 4618.580682 1417.267815 13973.31767 9916.102331 2805.124784 3081.117912 24816.34773 6460.230369 2682.079797 2983.083232 934.5902692 3077.410774 660.682187 18732.77407 304.4082935 1366.473158 N-oleoyl tyrosine 245008.3409 268461.8209 317996.2071 377177.6552 425412.1326 284960.7853 256619.9224 142434.995 139459.9083 212704.6027 252884.2662 285918.6224 218951.3067 348336.0146 187229.9232 175622.6257 159029.9757 127505.9325 419983.8833 404600.8255 326037.6866 365554.7869 454040.0683 374762.3317 365108.2584 397199.2142 432428.3902 175199.4903 240008.7695 443070.7935 201339.0382 424636.8559 361209.2062 209471.75 202797.5382 320566.7635 355019.9651 289317.1416 286906.4985 338532.7663 373867.157 448171.751 339959.0251 409793.184 393045.802 355531.4217 299816.1575 292066.4285 260857.4905 250235.9888 349078.4833 333838.0797 324025.4603 338310.2873 Diplosporin 14869.01897 11094.95974 17682.74486 18533.8763 17445.43472 20840.64283 19983.83216 16048.6611 13382.17696 4678.086434 3505.430834 5676.862416 4837.859594 6493.93073 4945.195612 4244.58262 2400.863329 8827.401948 18190.42008 20361.28855 18440.2601 20090.44109 20804.66685 24711.35523 21766.55797 17116.65248 21508.1447 1671.832406 5647.083624 7044.247013 4987.031843 3532.81314 3583.838966 5183.209207 2260.334798 16021.31062 17620.01013 18394.3368 18179.36683 17508.95162 19112.31047 19845.52772 23519.00773 16202.90895 16109.5377 22661.24982 13391.11601 21391.23281 17254.74846 14173.21167 8642.84676 16528.09167 4312.884781 17752.93212 Juniperic acid 20866.91849 20396.20058 19017.92475 18136.55432 19382.63124 17415.74869 17324.63179 16491.2784 17952.0584 11640.42375 11941.54296 9800.891199 12260.00228 13192.56812 11814.64938 14619.33882 12576.30233 13417.56019 13068.69104 13463.32461 12367.57101 11919.9043 11763.32657 11881.23751 14301.70339 14495.37688 14491.94528 12071.97009 13764.20469 14063.25818 17410.98119 12114.60572 12967.14697 11620.63741 12089.91735 15577.17266 14843.14429 14006.37616 13136.27944 12637.91644 16555.34848 12522.99016 12587.70438 15477.47453 13805.78957 16104.25926 14438.11952 12621.43441 13643.94079 14029.15315 11858.97785 14399.74613 14499.34545 19155.76433 Sorbitan oleate 5237.649203 39237.82156 16421.44076 4185.713193 2454.539401 11141.81379 9806.32976 103854.9455 77270.8828 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.0287613 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39508.45517 3766.401556 67912.05262 9927.97472 22841.06558 1296.795057 1445.977292 56.14546704 651.3868122 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56.40850789 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32941.70239 5760.460941 63905.59382 56825.55487 4926.462191 7491.855431 1328.164798 4.07813e-08 26.89602317 36597.28247 17631.48871 59274.44883 50619.08757 50963.54888 1033.141468 56349.47857 33.7191035 7281.579304 DL-Acetylcarnitine 22276.94189 24244.34937 18592.33766 42302.4596 22330.77012 21771.39737 33624.45756 34027.34196 31000.41518 30930.84346 25424.17866 52919.68343 31211.61382 23289.03961 22379.39305 46067.63749 27993.56617 25657.19679 15866.33181 32941.80972 15346.22483 15172.51022 40284.28726 49934.27223 34338.00232 23489.59622 35260.03577 69881.40542 27889.49045 33898.02203 66058.95122 46063.21054 24545.51589 49326.91426 26176.06709 31105.52886 32671.59019 21169.56664 13073.33219 20225.99775 18768.63971 29443.48345 54165.67584 24336.8764 24501.98515 54666.67536 34499.35738 22172.78462 22236.98608 35388.58467 44588.69683 23256.42331 83776.26908 38127.53294 Harzianopyridone 172.3589868 150.4985988 216.7423637 78.39769847 186.1088302 111.1925743 1152.87003 77.93222903 4.07813e-08 2409.884855 5968.447511 6945.595613 2869.986573 8839.229066 4045.678627 4238.316652 3813.270763 5715.064656 4.07813e-08 671.4565797 4.07813e-08 154.0553429 861.9928499 419.1527709 394.6344911 98.11662301 544.607399 7458.699844 9343.719727 8170.069499 5928.563413 12997.71664 7652.698927 3248.492846 5233.526979 7630.065401 147.4738093 351.4717716 4.07813e-08 353.9791314 310.1219208 401.6759609 572.5998239 4.07813e-08 4.07813e-08 704.8875787 1180.169873 173.7997326 937.0089943 1107.245672 33813.1856 274.3600766 14897.47462 1540.260933 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid 38739.61357 46752.61577 40475.92518 31878.63015 32137.34254 32624.60694 31584.21943 41738.80233 33030.06829 46043.85941 7787.951855 69266.14246 54116.57332 101787.8846 111029.132 20876.93195 25907.81122 262068.7774 19659.4193 15521.55174 21246.84174 21619.02577 18996.70663 13703.38091 16044.38724 15410.11344 20222.65318 13000.91154 32736.44008 7506.27381 15846.23775 12363.10161 11921.90422 25926.04531 10515.09318 21771.18413 25387.37124 19016.19095 30851.60801 28929.53351 17300.13185 18415.75675 11541.87825 13009.59975 19283.03208 50089.52703 31507.52074 27374.14895 40338.01651 22640.78747 29574.37074 28064.2539 12421.52542 35182.96718 7-Aminomethyl-7-carbaguanine 2633.387592 4442.933592 3509.796139 2726.024882 1978.295611 2117.132655 10606.8601 10438.50469 4126.825047 142957.5412 130973.7636 93424.98493 133761.4488 130012.0264 107184.8815 130202.9288 134121.8411 191490.0217 1173.662458 1285.751155 733.7095303 998.0252738 881.3316646 1131.111242 1849.949507 1747.327517 1640.948492 158951.0488 128615.2012 138954.498 133255.3377 178226.5276 45852.99919 76068.65753 130912.3593 163651.4615 1371.560079 970.1244778 945.1964928 820.9342733 1112.269395 1706.53499 1066.770271 2058.119679 1491.204899 6296.425827 4702.847283 2197.002021 7448.997607 13446.70865 183164.2347 6746.745698 141308.4979 22045.80668 Homoarecoline 22590.43008 29745.44858 11577.61856 26204.09511 7873.717756 20573.4392 25301.30167 48788.04859 67042.30415 73904.53682 94961.36689 104456.5391 69867.14722 81453.47438 112680.4708 133484.4425 71511.95732 139659.3647 3759.941854 2571.187055 8350.42691 2683.609837 3243.884561 5232.45112 3829.896193 2675.480426 4818.097002 43425.05342 84378.46138 83908.21957 82517.60727 109626.0824 62328.84167 153711.499 44267.15211 110156.7178 3734.605869 6208.769951 11213.47184 7013.151922 3277.279833 2306.161545 4458.472062 2451.972469 3029.733722 2332.151942 13925.45066 12370.41414 19767.67929 27376.42923 96987.106 13643.05922 18079.26046 6131.477587 Alvimopan 74105.98332 394948.7749 46765.90806 77947.06933 56631.01145 48812.47171 129556.9813 239544.4213 135894.4177 14232.70085 11197.3828 52616.2213 11439.2551 6631.634693 15249.42388 5995.240304 12692.10242 10547.45793 25759.55034 17613.30726 54091.01944 69206.93402 9794.855668 13392.82707 49839.11738 25323.59635 16128.05066 19027.9695 16671.38099 5799.233643 15766.77385 6831.053968 9237.367189 10653.22484 26647.60727 5984.780246 635814.2766 29030.02042 32474.95423 25103.80596 16334.95531 13640.62222 5989.51689 21216.97427 17057.48316 9465.549332 67520.77609 37735.88254 257657.8732 282547.0872 7539.780842 73856.75304 14813.11132 25305.82542 Acetyl-D-carnitine 1819.092433 1419.018072 2377.749367 2121.265888 2364.046481 2465.366144 2944.105215 2011.429262 1708.214245 3187.506143 7914.007247 3987.013379 2444.239072 1950.563654 8640.974704 18889.30848 14693.9517 2449.862113 2472.610055 2171.273872 2387.500489 2821.715571 2390.194139 2411.76256 2471.919661 2608.507058 1789.714477 24962.18371 8112.084084 8845.786692 8223.053144 8066.980745 14372.48158 11645.19983 14895.52304 7940.95337 3218.714489 2490.85226 1669.731548 1862.548478 2773.359925 2924.182222 1854.790584 2892.32287 2949.30079 2717.967946 1919.577278 2765.541854 2176.259322 1834.662774 6984.082537 2423.813535 11246.43004 2528.752341 Indole-3-acetaldoxime N-oxide 9846.498604 5125.561333 12109.11438 15762.45939 18313.95175 15410.2276 10862.65576 12292.92367 6288.67907 622.9563053 344.3525503 264.4469061 489.7269064 392.5039768 131.1055805 370.8596206 486.5479537 658.7999511 5262.274989 12786.57763 9206.945848 11487.23308 17607.4877 13988.43211 14848.69403 12388.07418 19885.53319 271.2326157 369.2749287 310.8692307 346.5437268 244.172976 318.3982038 440.0708166 445.5130725 493.4278687 6105.176172 8685.608281 5191.5362 13163.12414 14058.15145 10872.38647 16936.8414 12019.45302 16561.62684 11333.34015 7464.790446 10794.07114 7699.534946 6973.307086 504.6725598 7591.627919 299.2290088 14083.12519 8-undecynoic acid 124562.433 120178.5345 121119.1221 113882.4101 117517.4661 102504.6652 105901.2085 109762.0995 112067.3341 76109.01893 70253.81406 68639.18785 69220.48663 79230.92332 64574.13635 94130.28291 70862.30455 84817.8914 72832.31322 76801.22956 72685.86738 77199.24981 70506.68598 72546.71601 83073.43291 91317.78255 86939.18344 68891.13552 78674.51187 83151.388 85856.8156 73494.83543 77627.96886 68770.44274 87026.62748 83515.19107 92802.98821 81308.14638 84508.57916 71881.03715 69959.74684 75754.89495 80334.18767 93689.73953 81927.26743 90056.96802 85428.65544 84119.85599 93507.64237 86091.63608 66466.47428 86785.51112 89026.53614 108124.1278 gamma-Eudesmol rhamnoside 880.8759238 958.8153552 2803.371693 2733.688749 6612.681806 3080.050756 4261.742989 1773.180938 1708.080249 15667.97921 29348.57228 22012.00704 16781.85292 66886.47862 21781.47834 31852.74176 11435.41801 15855.07984 2391.704254 6347.87613 911.6983096 4146.205151 11964.66736 12990.40246 7455.390319 6027.974598 10954.52327 16336.64112 16044.6502 18123.66345 10987.98448 20083.74156 20295.65008 13423.76014 28090.79278 17129.51471 3013.069059 3704.775924 661.3111251 3203.16501 5144.30292 6366.309548 9291.624309 6462.557126 3962.048504 5525.781109 3063.452127 2679.470685 1012.103562 859.256013 17249.98038 2325.112672 11290.48911 6960.93001 Venoterpine 36984.09309 24450.0818 45409.04318 39640.41941 22616.06542 14712.81552 26487.8121 20219.44359 16150.28093 6620.415039 4375.227597 2186.819817 6584.938756 707.1498519 500.7043804 326.207342 653.4870155 962.7957815 54262.16748 83192.23343 59821.73643 52465.7338 51549.55104 54094.38804 63150.60314 62165.08972 57693.20252 5540.153983 2003.965983 5340.439761 1765.147701 708.024602 2140.440078 19398.12797 5027.222871 8102.75178 66448.41447 45865.06306 31354.77695 112007.8331 37151.64492 50111.97595 54819.37501 85151.68427 73778.71145 26167.39224 27106.30004 14582.46539 10058.33288 15351.3559 2248.056595 14928.77198 12904.68686 29934.9803 Isobutyl N-methylanthranilate 31395.01138 20694.99797 32495.69833 30141.25827 42298.63573 26456.78168 31656.57346 32679.85309 26235.55059 351.2926777 131.7806718 473.1361957 245.5696941 357.4324992 815.9855673 102.9777993 100.0375335 525.8054286 90764.92835 80979.79481 48584.9232 71151.02028 91310.28254 79090.32711 78664.43409 102076.7154 94498.97881 622.0604851 613.7725329 429.8554641 1464.745303 876.7783304 589.4564673 1241.766616 4.07813e-08 158.4158173 47572.17694 67051.51984 43109.91851 69360.94695 85007.04204 75458.8839 73758.12793 96650.86317 120057.3935 50875.2 44171.62124 49345.48955 42496.52392 32422.49377 1076.174107 52076.39961 473.325655 55308.11203 4-Methyl-1-phenyl-2-pentanol 4082.602522 2406.369038 4872.447626 2747.594479 631.879788 5280.19466 4730.381802 3314.871086 769.8737562 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16568.26205 6899.817561 14361.88965 7907.466494 12129.40366 18436.97817 7613.971436 15279.35045 16703.34502 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8524.86244 7569.232318 16487.61005 7518.274013 8934.012645 9699.53744 17523.1445 21074.89797 17346.40652 4638.915728 4124.889684 6058.846132 11222.36815 7638.48712 4.07813e-08 7226.025774 4.07813e-08 5188.409239 (R)-Bitalin A 3801.843777 7491.440627 2463.115636 3357.988891 2174.331446 3518.070297 5062.952902 12690.03101 12811.67833 53.84871318 37.35360213 119.9234128 91.4388345 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51.42162583 1331.348432 985.7694396 38632.97419 3640.530079 33150.98425 3469.437772 6514.292648 1546.663357 1987.370435 4.07813e-08 181.4332753 94.21345318 218.8209573 92.77433809 4.07813e-08 82.28091179 4.07813e-08 264.2268888 8648.00007 2819.152675 3398.674752 4419.370317 2889.463032 3530.303632 9966.813945 1745.619405 1110.477099 8077.06323 3567.083752 11410.00841 9588.092004 28693.78715 4.07813e-08 15282.88002 4.07813e-08 7105.639157 LysoPC(20:2(11Z,14Z)) 4.07813e-08 4.07813e-08 83.3466007 182.8398287 1.952196643 0.087071429 1.958416687 4.07813e-08 924.5709459 11990.46416 5925.787538 119904.7433 9572.035628 69986.34861 258764.7389 48584.75382 519038.4127 17731.58529 221.0236507 4.07813e-08 527.125236 606.5864889 96.25357228 16.92423767 198.6188665 4.07813e-08 18.03832414 69934.49678 27077.89574 959.6250363 37589.50179 429.5251817 2495.017883 84793.06892 126552.2796 7361.510668 1228.910672 41.6021835 115.3062606 368.3824311 872.740678 130.8036738 204.7759744 0.470925346 3.087049689 4.07813e-08 2129.961454 305.5845614 1717.773647 526.7323259 9977.896475 977.0514493 27177.33783 492.8715635 (4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one 37479.2583 31328.83888 55018.71393 62100.84463 63541.3546 59229.93544 56745.37542 22896.19911 21858.90444 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40438.21299 54030.01581 13062.4654 84156.95744 115321.5884 107200.7853 80468.39607 80468.1343 114352.7461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36489.37505 68468.21022 13724.66301 45747.2906 132083.7625 82308.30654 124277.4313 98744.61446 84165.64644 85968.56939 23994.99425 41682.89811 33620.59341 15982.04618 4.07813e-08 32615.76131 4.07813e-08 96914.25716 1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1,4-pentanedione 89061.30077 64064.31433 99135.89042 76279.35732 91969.25639 82455.31588 91955.98344 67521.12793 58730.62181 1596.783001 1303.77102 1202.729358 1631.236466 608.2471509 1716.298585 535.5149997 573.1263315 986.5010362 147591.5742 135125.9928 99564.25111 122455.4061 141948.1156 143588.0946 129566.7274 190168.6882 168060.3526 2043.907548 1685.371339 2308.133497 2137.59827 3427.142681 2101.905381 2703.979332 377.9451402 1611.596144 96382.48998 110758.5248 89661.80563 112220.3704 127927.5457 134268.2513 139011.5317 185115.7996 216730.0449 162015.2034 125186.7885 100751.6442 89085.49876 68231.13807 3728.350937 86038.9077 1746.40042 118200.9262 Secobarbital 14390.63077 11401.48479 16869.97284 18165.82867 17404.61539 16725.1324 14832.37816 9410.244268 10901.77123 4145.080989 7905.465763 7568.28843 5037.207916 7226.107824 6495.136454 9603.331722 6236.921336 6402.557261 23554.55075 17761.2502 31960.33964 24899.48231 18615.69172 19528.031 20174.99991 35417.92165 23449.27007 13454.85976 8840.19829 15077.45672 9207.400278 11274.07091 10440.95969 10094.81311 9664.046564 8516.21088 26448.22286 21571.12897 27939.73323 22843.52814 21910.77209 21971.35499 18263.38951 36515.5066 32849.87567 24633.14506 19613.36051 25335.86022 23866.53203 33033.90383 11450.2667 23009.81231 13605.39316 21821.36751 Isoquinoline 17048.04275 16001.95196 9432.41291 9992.34676 13597.6329 10328.20344 6668.137014 22508.12402 16926.66404 1453.143078 1745.295591 1284.859558 1420.232689 1396.108061 809.2635976 1285.67012 1381.746624 2585.299486 8163.164701 6246.244979 6013.119883 7827.730605 1694.901238 6988.051705 8543.80302 7166.561624 6660.724819 1024.013706 1251.097915 1770.674611 1340.91995 1750.809408 1403.712925 1639.650741 1300.907789 1078.279841 10962.94412 7532.841725 7845.949798 5692.553441 5129.146855 4198.333043 6283.493 8761.366642 3302.145094 5682.446252 6672.964677 9926.841619 8635.381292 14164.76358 1334.191355 11916.01527 1324.922409 5023.017526 Sativic acid 21959.94392 19759.13077 32039.76544 57626.65731 39070.02445 15074.85954 9489.322236 17503.14475 16036.04043 12693.73402 22993.63519 21399.76997 14041.92554 29056.16688 4973.2352 30330.41423 23400.90024 10313.10845 28883.66013 6237.364222 22438.94628 14678.86884 27618.6683 34246.86653 13705.82398 8072.669299 5434.861155 11945.50526 11617.71844 33364.36157 5048.203769 16337.04283 9983.04728 7846.457229 18217.90993 18339.15627 15185.58742 13924.63901 18078.57874 17669.29363 14285.05184 24408.85249 29181.87515 9041.607368 39482.34447 3276.916618 4760.438183 9265.597556 11406.62478 10720.01966 3527.191162 17278.30549 9255.475599 25964.33919 O-(17-carboxyheptadecanoyl)carnitine 4.07813e-08 4925.210298 4.07813e-08 4.07813e-08 655.9045337 1921.401715 8333.256035 2707.063282 427.1836637 33426.73503 22074.63573 22095.49196 25284.21762 24337.2603 192979.245 39441.73055 73774.65981 11213.0432 290.3439044 4.07813e-08 4.07813e-08 793.7809732 205.0607186 226.0880722 1177.635528 4.07813e-08 159.3961592 32736.27995 17314.4651 20895.03666 29292.91589 2663.613297 178611.4578 12234.89773 102753.7436 12784.17618 1528.560443 347.368835 4.07813e-08 255.395247 149.8442541 168.9340243 178.3684961 4.07813e-08 270.8060284 802.2694332 4.07813e-08 4.07813e-08 921.9329418 2924.715407 61750.35744 4.07813e-08 23447.66881 456.061296 Sphingofungin F 5125.619405 4352.17167 4983.113464 5707.519419 6953.929635 7012.732676 7266.325268 6218.119044 6736.863603 17704.28683 25916.86311 10344.41832 16764.12616 100122.8245 41812.29467 115181.7762 109366.7258 36264.21481 2118.091476 2925.603 2670.338244 4245.370938 3357.703884 4009.710228 2830.177741 926.694927 1586.751951 12595.43872 19507.53985 36234.04177 20393.96562 160498.5286 11732.14157 16381.27972 41631.18231 17231.57957 1812.794199 3352.465103 966.2627991 3326.437282 3956.103972 2856.900176 3330.830794 1015.473702 1073.86163 1792.75416 2130.172044 3366.308764 816.5994617 1107.135002 30328.32654 1415.588476 19375.84034 1717.0014 L-Asparagine 51944.03627 177972.5824 120136.5898 161545.8022 225746.1131 118928.8366 62094.15905 62937.09905 89710.33167 110745.5521 122957.7323 198333.5808 131225.7739 96747.72981 183868.7427 224844.0433 186339.135 202699.4251 131321.2062 131160.0837 80300.30556 51514.70096 81249.19039 64674.85998 97228.41826 190302.0653 171981.479 388299.6598 158021.894 41424.47772 59937.45963 153788.4632 203206.7695 176334.7095 260052.5271 32115.13576 55289.32386 97861.97412 41258.78221 81910.87339 50171.23273 71484.4772 65140.60903 248567.282 341403.4183 60144.54195 23410.50534 33665.32933 26020.76384 40043.90206 66396.7108 27299.49429 265389.81 41721.25081 BOX A 8685.847125 9219.176044 11763.18777 8369.702003 7882.768301 10529.36757 12603.67133 11987.98003 12990.25293 10608.36137 6386.619252 7226.203162 7430.83779 6097.563774 7069.791336 2718.436154 2138.830104 7556.271588 42975.021 35437.97174 37069.76007 34951.06642 42322.9829 40251.1983 36234.13881 48187.10081 41678.71055 12306.89901 9421.802768 6356.845617 7845.292848 15899.97752 9268.83335 17774.87978 3654.534196 5964.635708 34678.20494 28364.89598 26339.15684 32113.70158 36002.80823 35177.59129 37211.93041 49036.94384 63923.20713 19841.17095 18085.48908 21114.35286 18047.27502 15721.20155 18984.43496 17792.8314 7638.552921 25372.11207 Prolyl-Valine 577785.2253 624566.7642 389589.175 405452.8555 282746.4563 346034.2722 594356.9043 772962.0558 913305.332 23708.66224 13225.42892 37969.02158 27400.1855 8399.859262 19131.61182 14656.99112 7646.707584 38849.12052 148190.5487 152992.3888 175128.4894 133038.6504 193837.1649 201611.8992 183753.5037 178628.463 278671.8538 27895.94256 20838.01952 10334.55903 21849.87784 9021.327774 13271.08345 45923.59942 21853.00667 15227.10291 150087.2366 210645.4723 239869.3896 275102.8302 208398.2991 179009.5119 199091.3741 201948.324 157999.4611 168715.801 194753.9371 195103.3124 312924.5021 343712.18 22865.66967 215153.3399 22500.62143 180903.8913 4-Ethyl-2-methyl-5-propyloxazole 4976148.928 4914951.155 4764443.306 4863270.929 4784053.137 4186842.579 4362271.573 4589439.101 4627698.587 3176006.568 3001517.181 2955390.886 3111733.632 3296810.649 2760548.793 3875977.216 2966690.76 3458962.05 3219930.244 3352540.111 3200829.121 3358287.218 3197484.121 3287741.449 3727859.2 4122800.58 3768723.063 2873205.281 3333450.399 3727626.884 3695337.997 3284561.481 3352594.309 2946208.317 3508975.366 3698133.675 3921960.874 3466908.153 3548394.275 3188192.882 3122236.104 3373960.06 3415673.157 4096214.78 3673577.95 3960930.968 3739650.486 3599419.372 3856624.829 3775125.429 2857021.229 3715807.179 3712620.243 4383805.106 Ascorbalamic acid 1348.435211 1716.645548 1486.041452 966.5687401 2622.917407 1306.822372 1371.988749 2215.363156 2277.825811 23440.71619 34533.30518 45249.85207 19488.59313 50857.69237 31772.74382 35451.44852 53185.51681 59346.34438 2102.69387 2354.241069 1093.326638 743.0822607 1309.47578 1759.598932 814.7423509 1288.532411 5472.52255 53180.38121 38259.8718 76434.10445 25995.62927 61802.5232 20931.36688 10253.64868 41646.64332 57334.39666 4.07813e-08 1110.188589 1366.142017 223.4992949 2507.603414 1403.311955 3211.229176 2311.464263 3070.17428 6383.2426 3295.337079 1901.305232 4296.258922 2812.624927 78632.08162 2991.398433 32525.07023 7475.942971 Citrusin E 16097.23256 21468.96271 14024.43509 14536.81496 11305.91912 7212.414623 6016.818574 10389.80876 18920.98156 12451.81904 14245.15745 12125.8475 13827.02464 8668.533794 8760.910704 5160.644429 4822.020756 12302.38115 27008.92441 23712.42156 22964.30024 19533.25906 12104.11447 9294.117576 9579.362773 29393.07682 20193.71923 10549.91296 13957.8438 11296.18393 8974.317035 16945.88524 11969.37447 15894.76886 8973.294741 7582.535653 18947.61868 22312.47532 22875.87235 12713.96994 19394.01715 18308.93805 8435.717581 28815.1705 31125.38978 13040.48803 13937.16432 10536.80704 18010.15816 22535.26171 16677.16774 11599.69925 11905.39662 8286.362131 Cerulenin 3392.708274 2229.758181 4004.864124 2768.457931 2476.549849 3192.876852 4259.902944 3738.006299 2901.931526 1859.585444 933.6318482 553.8662978 980.7186933 950.870675 1342.816691 400.728315 867.1008025 656.2099301 14029.12593 13440.35398 11403.94842 10926.21272 15625.77916 14781.89745 12340.65818 15383.59011 15805.79746 2595.192591 1913.884102 1146.278467 1569.168539 2371.361856 1590.158678 2570.143392 824.0981983 999.150337 7752.011793 10445.86634 9133.518939 11693.92397 12372.47216 13626.83135 14328.74188 15803.68641 19350.83695 10331.57552 6889.645882 8831.215978 8214.245835 7064.684597 2164.562264 8133.136657 1354.107023 9063.30828 3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanimidic acid 12309.26571 8533.495615 5869.726964 6129.671056 4497.0373 4375.360966 6731.422884 14315.50717 9553.134351 8600.864024 3153.441826 3379.236402 8916.178702 5283.036632 5212.406315 1673.464203 14648.61656 27009.52385 4386.781902 3539.834064 5909.168959 4153.69555 7612.468639 4688.000604 5946.965039 4031.924206 3216.311232 3629.686799 4959.907763 4134.447114 6068.05219 5001.472452 2897.602055 4458.972188 3988.937115 5001.325941 10516.59096 3725.408983 3449.239291 3551.06782 3767.914163 4161.556344 6790.412368 3776.734877 3624.858467 6648.65104 3435.623338 5936.680037 5702.326651 6049.959635 5665.786308 6662.324675 1819.813073 5353.265644 Indole-3-carboxylic acid 935447.1948 853560.91 733347.7058 730148.9967 1424610.564 602339.7486 531061.646 670444.5853 839668.9244 4200.005328 11653.89443 4961.16949 4312.169637 7504.711211 2933.04445 4851.971763 3792.615371 4876.025813 1066582.482 723999.3958 736695.6229 809428.1363 1295161.78 448646.2361 463415.6739 250824.8281 870943.4937 3895.847004 4125.510601 6140.656035 4283.841866 5490.959794 4077.501448 3053.896249 3472.870307 3533.42396 399951.4244 1016244.107 643801.2553 883624.7208 831414.4981 757804.9731 526423.4798 209410.737 401734.1456 189999.4804 355289.9413 505826.3309 593167.4599 575227.2121 4683.559199 822026.8767 12613.70876 436081.5343 7,8-Dehydro-3,4-dihydro-beta-ionol 19125.32474 5308.2069 14074.2705 10361.66389 6489.681771 22014.50448 35679.52141 20351.8124 28119.58239 123.9978162 122.7725406 174.8753512 138.6401232 283.2641117 70.41741149 236.5621632 55.26161287 265.9303176 1427.569259 1504.744873 3324.467037 8430.411665 2912.054462 3229.801639 5136.511033 3002.359497 2515.181876 150.0950406 171.8923933 223.5382244 100.8355587 89.58379155 112.1916517 4.07813e-08 144.2976735 143.3013969 18084.37189 9035.099391 12900.68753 5287.809671 5390.081586 4189.15955 4213.530636 4531.369949 1289.502265 2722.217658 5256.580388 20044.40657 13726.76252 10195.44188 5708.220774 7734.016471 10118.55162 23966.57575 2-Dimethylamino-5,6-dimethylpyrimidin-4-ol 95803.91529 61914.31423 60280.87622 25615.98182 29452.14647 69456.77975 59070.42651 177500.3341 141617.9473 2276.73782 2984.009815 199.8432582 2916.210148 785.5027356 1749.381652 4.07813e-08 1442.750093 7784.614258 70099.10189 67746.19031 158864.1616 89196.56076 54319.97197 52651.13605 60609.8561 66097.01127 118166.1153 1087.982112 1518.056258 1988.954181 2565.831445 6113.096217 2147.527884 5658.961008 1520.338938 2461.16175 80065.60228 97784.15978 135877.0233 68768.98683 77282.57356 69512.30454 57489.38331 97030.23788 195853.7051 79681.58935 55425.24438 56905.94361 68923.91386 101046.1745 1641.150498 77307.77779 2347.705364 47254.2746 11-nitro-1-undecene 1228.042502 1239.899662 1889.845398 595.5597591 1014.031236 1818.737117 1505.979962 1886.260871 4388.250146 1305.238513 1005.538904 1338.905751 1558.564923 799.5340552 3689.815252 2276.630219 3068.490518 5790.850542 2962.029025 1123.13776 26180.78372 1181.368882 1205.72047 572.5483516 900.3624833 2043.439489 2457.47963 12827.86478 6228.791915 5822.89029 10563.36774 8586.641587 4575.372297 14075.04642 3923.352254 5885.102102 6752.593882 3099.012245 18739.1244 6694.106637 1076.776714 1183.880141 577.2368793 2306.294597 1486.313096 1988.811724 940.3524377 6164.886842 8473.981041 12323.42613 6586.792985 5964.492354 6335.800814 1486.960106 Humulol 792826.3064 778107.399 777483.9162 767389.9828 739563.4568 622899.836 664509.5221 690502.9671 699308.3331 503249.9154 482296.56 469622.4799 490309.3235 496273.679 417121.0466 589716.2663 443451.3689 535431.8857 518651.6305 527762.5216 498297.8797 509152.0654 477692.0719 493657.2864 551138.6184 621436.6157 585139.2668 457216.4359 522002.393 588609.5149 555886.2323 497653.4832 494854.9222 451778.3819 548462.4125 575057.53 618464.8344 530178.1011 531452.4767 475495.1694 475975.2059 512415.381 533197.4251 650014.5668 584734.4602 601836.3304 566454.8022 550060.4918 572522.5217 570221.6953 447253.4938 587177.572 592122.2251 709821.7729 3-amino-2-naphthoic acid 1227302.559 1204386.843 576578.8185 734931.2301 185933.0668 376984.0857 706912.0816 1245857.772 2221947.751 1595590.727 1287344.93 2109270.174 1879021.275 1370249.884 2434952.643 2280108.815 2690382.863 5936214.807 320812.4493 190924.4137 198137.923 185450.513 74031.25711 218359.5022 278212.2819 343026.9252 173603.7476 6075268.785 2462685.951 2840387.238 4232915.133 2565023.466 3592101.178 2929619.065 2788317.136 1926413.53 1620495.424 261727.1654 186102.5419 196968.8434 191730.6325 111384.5077 230745.6119 435914.3286 171127.8861 134516.529 736081.194 613506.316 764310.3962 913566.9962 1526334.181 717780.1274 3428227.685 305231.939 Heptanoylcarnitine 20021.3577 17060.04 19745.27812 19516.24694 23547.64421 18112.16582 17906.63109 24854.37385 21254.00335 5462.707233 5366.29912 4290.489546 6235.519726 5421.058691 5578.429521 3999.398668 5903.393274 5727.063713 35109.82537 30130.12346 26750.05131 22567.9162 29384.31195 27839.81422 24865.83015 39241.34215 34939.64463 4851.068839 5902.63651 6040.683837 5626.961878 7016.101853 6599.706501 7984.313907 3386.601715 5497.183133 24153.78724 25194.58742 25459.95637 24761.43175 24663.54488 27858.61076 26846.30106 37964.80833 38582.91733 18983.95411 17158.21129 19374.07085 20511.62195 21789.47073 8457.534437 21667.48325 7122.055989 21347.53739 Dobutamine 23169.40463 41955.99522 11841.19246 31270.84831 26288.28545 30515.57982 17631.40083 22365.77342 28385.24797 7673.838803 10405.65517 5575.895385 15734.29748 10819.78956 1893.643534 566.7915808 1689.082245 3444.621946 11871.7798 10953.08161 18974.91636 13516.32824 11645.50262 10663.03837 16234.20578 9278.623865 16682.77078 11072.06476 2236.666666 1861.076808 3651.502983 3756.836503 10067.1204 2717.155963 1004.874906 1976.414647 17766.52761 16173.88797 18766.34583 13603.39085 10916.92549 11857.57823 7837.411077 8912.080921 11816.92882 8421.269042 42451.551 20717.32288 43090.07604 168816.7504 3923.846161 17244.59208 24848.88084 22999.38291 Leu-Leu-Leu 6236645.06 6253052.613 6037261.927 6663541.324 6004773.017 5518993.141 5866205.721 6199892.843 5376136.619 4174766.936 3747149.22 3567416.074 4497358.519 4137275.602 3611646.795 5028427.598 3957293.713 4210548.9 4577538.294 4497391.694 3666540.318 4369272.02 3297883.767 3802110.719 4300086.33 5258977.373 4250994.446 3370939.8 4648826.506 4423961.521 4252766.665 4543550.963 3887615.114 3404484.734 4447737.618 4585767.567 4593975.478 4292485.396 4340655.146 3913210.36 3914516.521 3939560.672 4141191.875 5088831.76 3891045.706 5538144.212 4722048.75 4726404.488 4509658.769 4513045.8 3792783.305 4731893.066 4820427.013 6147788.719 Pokeberrygenin 4.07813e-08 3266.095803 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 190.565143 1426.413028 4.07813e-08 10459.12776 9101.745775 52407.90207 9206.392632 58387.37307 42234.32093 26406.36047 122496.7271 97432.64514 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.395562297 31234.72431 13335.2451 72824.61519 63669.92511 43598.19803 12326.13246 26153.58576 41692.46593 63949.76601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.1937964 196.9455074 4.07813e-08 5937.47911 522.6646305 23353.8759 276.496188 6950.333792 281.9114306 6-(3-ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 4.443365738 4.07813e-08 1977.224232 4923.606098 12871.54617 4683.096485 41.40101733 2410.834119 7.652513633 54034.88537 126046.0999 11958.54938 44322.19997 19351.68078 59682.59561 29066.47398 186618.2201 7419.549209 412.4277569 1636.756582 3536.174582 3422.460763 4862.158457 2259.154706 7156.797451 652.6193662 192.2570299 182701.8967 23794.25001 213917.4251 95015.82124 281122.1147 136871.9777 53575.96083 151791.3097 43952.85751 2027.825249 3151.124196 1504.373121 4921.993484 5517.711236 3186.926479 5501.825184 1200.259645 2610.596863 944.262068 82.32336635 354.7989353 368.3672484 2030.788783 121718.1248 3302.774764 157082.1229 2994.984448 Pilocarpine 36411.95816 20350.71956 42401.63327 34978.79377 41210.26826 28414.55049 32377.14853 36019.03939 24861.98073 387.1713773 321.5711585 318.7876684 545.8103368 320.252476 300.4126578 77.30180394 357.8326754 377.3607383 85804.93015 75506.97671 46019.63256 54571.72808 60761.84597 62311.81815 54153.58809 92452.29147 70432.22377 510.8051373 456.2639443 489.7484321 4.07813e-08 498.8045086 128.4218875 906.8595333 159.5118324 64.99559596 46618.4825 51594.05662 34903.26143 86305.50192 58527.7819 69276.80842 62735.68741 92443.8732 89930.42963 65153.76691 61142.56967 45459.06368 32281.35665 24081.56177 170.164723 43483.19637 169.4620539 56564.5208 Aloesol 14614.49677 12034.65688 20131.80826 25632.31919 32138.6766 21905.61801 27858.58603 12883.02016 10864.38097 403.4183061 446.7684951 345.1979937 696.088761 264.5015051 250.8415743 543.5475315 116.3262698 188.7586858 15404.41729 31634.49375 8282.288177 15967.61424 36889.72442 40019.3759 29604.43269 23528.69263 32555.71342 6338.883077 768.14303 695.2268922 4857.750402 935.6470944 1533.533308 2209.666095 687.2527838 1055.256955 15219.26365 23606.29108 7112.428407 18470.80339 23050.64575 28548.98093 33443.40515 26219.96032 29030.61096 27595.20965 22958.39305 15419.41468 10511.66116 9953.248829 1537.139346 15239.32147 1197.896429 31845.22847 PGF2alpha alcohol 20819.32358 22330.61549 39308.94607 27636.66972 82383.24352 24895.18344 13111.45715 15016.93898 14731.73997 34585.65698 24200.98088 15795.6427 30149.48087 19609.87158 34879.5961 23925.10044 21111.90057 17029.77588 11575.59526 12760.70583 12016.53847 18440.6486 19144.53546 15981.59977 14495.90244 21173.84747 17441.51953 13255.14257 18254.28731 21303.18123 17928.97213 15727.51413 25917.08704 27670.76733 25669.15953 15786.74372 16713.55574 16349.06961 14735.33529 11479.64162 11566.64062 20352.31508 11718.50567 20377.21175 23484.37796 8124.576667 8854.464452 9697.355918 9612.842012 19678.32473 14354.05034 10585.99416 30923.68707 14046.16818 2,2,6,6-Tetramethyl-4-piperidinone 3217.968285 2119.98689 1491.262697 1379.825286 1993.300605 889.3911842 1055.202077 2762.171107 2707.114862 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.27167057 4.07813e-08 4.07813e-08 4.07813e-08 846.5231284 1451.045451 3458.984359 1669.072944 1319.908801 2245.191103 18451.19259 2431.902356 1304.148756 24.91179992 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3082.24364 1981.070043 2233.42184 4183.332592 929.646023 3498.71541 2054.3247 3095.0703 796.6187304 1624.476168 754.1990391 1769.604471 3227.60012 2131.636079 4.07813e-08 2100.84377 4.07813e-08 849.9536715 3-[(3-Methylbutyl)nitrosoamino]-2-butanone 7194.235378 9105.337984 5136.322305 3793.810382 3713.093825 4227.084804 6049.681114 16910.98785 14773.24584 1161.272054 4432.942292 856.2999412 878.9126575 306.6474017 537.914027 405.7112114 1534.513635 2076.822625 5331.054533 8184.234313 5591.850555 5287.519052 2447.888417 2411.890725 4466.574187 142776.2442 10812.2171 4539.101878 3017.682834 4150.836916 3164.434908 3634.222924 3458.230216 1341.058972 345.1875267 1548.828985 6119.194035 10863.14173 6285.557246 2573.508082 4207.865433 3656.638919 2526.470862 151902.9295 21584.83553 3038.003906 5946.241572 3010.069493 8117.7209 6986.003503 2469.495026 4310.068986 8078.133307 7208.720082 Leucyl-Glutamine 41113.21192 47406.24311 30032.51673 39977.87102 34846.54273 39456.52242 41962.27594 50375.69212 57751.78599 8278.712544 7684.258395 8630.694255 9064.843189 9749.822422 16396.29356 10439.33885 14288.41758 11758.83869 32108.31235 40572.3088 22274.55854 27874.20448 41880.15743 41515.86475 37294.14781 38930.0037 44071.07441 9069.925277 10157.93366 9208.505681 12620.3907 14307.35962 11093.89778 13417.64419 6499.010706 12284.61795 26595.73986 30624.83393 23527.34072 31420.00502 33300.16052 37432.55771 35768.40099 37000.26988 43541.90513 34881.00639 51199.30087 31106.87598 40821.11239 66727.37566 13506.93248 31880.86317 8161.807616 39331.33345 Loxoprofen 17915.44842 10239.7408 20196.97443 16327.69463 19774.21936 15673.10451 18425.0999 16132.83293 13414.82983 135.1649495 191.9527948 71.76803759 126.2822456 1.716532548 138.4267816 3.957415971 125.9893426 2.73267157 48588.86952 44421.73561 29631.70144 42976.21124 41873.75751 43106.23884 40960.37393 56243.49274 50908.01395 321.564607 444.5146913 12.2649579 154.9062305 407.9751073 41.55536935 257.8631833 2.606492803 3.095344826 31021.20012 35475.568 25369.26689 37857.00042 47363.57367 40442.55618 39435.82794 53193.16326 71355.36063 30606.19468 26527.66833 27819.49281 25744.83342 15512.23381 428.7582108 28384.00146 15.41795857 29976.61509 15-octadecene-9,11,13-triynoic acid 21617.68198 11225.75882 19893.43872 14567.72334 19326.5923 18723.11423 16566.83604 11222.43714 8997.031737 337.6098318 327.4013495 180.1460944 490.7025863 382.7427784 481.8131387 257.9165521 35.30533222 585.0429758 26856.36258 25245.50103 19451.5788 24111.35203 24866.93798 24663.22706 22264.30556 30369.43666 32681.86517 207.6973461 633.3949045 4.07813e-08 234.7355999 200.7258947 402.3011891 500.265363 4.07813e-08 218.0839044 16725.34902 21698.99536 15075.66682 21096.71731 25640.71163 24221.38835 24301.34483 29525.34962 40489.17499 19226.81261 15458.14623 16729.31113 13774.3993 9953.000897 318.5002931 13872.92873 103.8658741 18489.2272 CL(8:0/8:0/8:0/13:0) 26.2086982 6627.636814 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 827.6295863 2882.241431 5971.82625 63937.18669 80017.42994 49117.74902 193157.8292 107831.1088 1118.481859 1383.448026 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79790.97972 4.07813e-08 4.07813e-08 747.1344942 4.07813e-08 40489.28608 1554.618407 1718.4817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 75.97313027 4.07813e-08 4.07813e-08 2.057855159 4.07813e-08 4.07813e-08 4.07813e-08 33997.19634 3709.51061 9461.031738 90011.56341 22062.02611 1606.664744 665370.4661 29965.62269 Felbamate monocarboxylate 167.393934 72.50284043 152.3789589 284.4155319 63.22981264 154.718508 4.07813e-08 85.09452843 100.9023788 4062.489111 12812.27269 5984.98596 2341.961281 8892.639076 2746.142431 9967.874799 1217.249688 2752.054396 246.6673041 71.6370022 150.8424791 145.6242602 372.607592 4.07813e-08 112.6143895 4.07813e-08 72.25959966 56.5860421 2486.873517 5890.819019 645.0503249 2893.301327 831.4035549 557.908835 738.9846331 2820.498159 231.2610651 135.3540586 50.27760678 59.05841434 331.4337932 77.05620229 4.07813e-08 168.4736601 330.9268162 234.4970395 146.0086434 71.82497078 4.07813e-08 4.07813e-08 1016.566825 141.11231 3299.097652 224.4564124 4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan 1087.457675 1273.484654 4.07813e-08 4.07813e-08 426.6332918 624.6945718 1201.912295 210.8810407 1703.175897 571.4157768 544.3911746 4.07813e-08 721.7318031 312.5855816 22992.05613 283.5917849 4.07813e-08 605.5175003 2319.969745 3750.009539 3157.493935 2531.022797 2195.280322 2158.065127 1686.694358 2368.262441 2708.000463 354.2907077 624.6174447 109.7435231 360.8333633 464.298401 1717.434872 313.9153897 124.8222009 4.07813e-08 2054.862443 1539.384134 1654.129068 2638.485599 2564.818838 2706.685038 1495.397552 2101.225713 4059.54877 1692.954715 1588.734341 1091.421536 898.6850816 828.1662838 4789.918793 2650.352725 493.1963103 866.3139291 N-heptanoyl-homoserine lactone 26132.0273 18498.52285 17144.42441 28329.63823 26167.51471 15656.75035 7918.173134 18733.73089 15430.63693 23419.02387 20311.676 19213.59484 25375.71311 13551.78848 5391.28354 11698.02142 10043.00641 11341.73051 11775.79787 2750.251694 3405.868486 6976.537364 2430.00824 6686.309899 6420.601591 15899.50949 6530.282018 13974.29066 18185.53324 23080.58477 11812.56037 21029.4291 18799.79701 17899.26868 11636.30584 15256.00859 34974.00416 6341.417048 5949.485947 6671.739694 5226.599206 5491.552068 8430.270381 12960.02248 19303.25403 3058.331318 2652.297977 4210.369288 8069.111555 14401.06226 18530.94405 2898.879532 19057.32483 5147.367909 C19 Sphingosine-1-phosphate 5726.628772 3574.590817 7609.131667 3949.18943 7241.576726 8060.884254 7363.750341 5098.557747 3539.788899 2742.209909 1866.199469 1789.632549 2384.275402 912.7980745 3215.899161 257.3286092 167.3662928 4222.443263 11935.32889 15424.87134 15801.05761 7666.388944 26402.31924 28872.72969 19617.2513 15071.22155 23755.53285 1405.447822 1502.209721 2493.588121 1452.662387 2141.497878 1436.522088 1918.0655 804.5568609 1569.658505 5726.231745 9972.001987 8126.664097 16546.52266 10676.58731 19882.43447 23901.30828 14281.29561 13971.50929 22870.94059 11059.83454 14738.96683 7706.33754 5301.250693 3190.248374 8928.824639 1711.008384 11021.08568 Sodium taurocholate 8624.477543 14609.78287 11204.94357 5950.108462 2780.240737 18842.89119 15696.00352 8338.220738 7215.796392 58736.59485 202077.2861 174851.6009 46433.12595 290559.1827 222831.3151 529273.6391 1161588.741 101286.1168 1865.002411 937.5299765 4295.533817 4966.144828 1579.178125 4777.936669 2597.11435 9659.189656 3839.260025 923003.4066 56117.23207 80579.78949 70479.88078 102771.0111 164144.8364 68876.46471 817873.0742 71509.19515 5775.991337 2290.873955 3856.523306 2552.737691 775.3890264 4421.799573 2085.763476 9329.393972 3358.149048 2336.589168 24927.29174 6774.092198 17457.78079 4221.274329 118826.1952 9307.111253 67491.15863 17322.44804 Methylimidazole acetaldehyde 57232.23441 47085.63958 54249.78424 40815.56931 53165.36204 63019.52298 63025.90715 62049.75459 46549.24757 9850.617635 9849.572388 7939.45954 10098.09817 5606.188753 9316.818303 6597.953661 4674.864836 8703.437182 115254.8469 103949.5212 139840.0236 102431.5498 156628.0545 152155.7401 106017.9133 128609.8088 141303.9044 8646.461825 9440.247534 8237.162521 8118.948069 7703.249092 8277.663616 12851.16464 6261.322556 6902.430976 68171.78454 95203.4395 95440.80833 129876.8707 116819.8348 111902.3741 149996.5662 120059.3364 143073.2893 97937.53009 64741.75812 71042.62183 79154.68408 68091.94087 8991.58907 82389.54255 8872.632052 67739.62912 Lentialexin 17166.18853 9187.360948 15653.26196 7578.226552 6110.581293 9826.266021 19274.9598 14991.23238 10673.77723 1087.929877 398.6737265 724.5892264 1109.029518 929.8260852 850.0543422 636.9884394 710.6433756 1084.318875 13610.40386 10833.6566 13056.76844 15902.85326 15021.47967 8486.225978 8281.34413 17844.56705 18428.46852 895.0376715 770.95143 1417.423854 3226.972649 815.1647398 4310.174264 2577.992095 1177.563532 1589.213394 10275.12589 14695.09107 20838.99012 10238.93907 15778.61619 12421.21169 9785.557113 28479.38855 12120.18874 7704.307805 8539.224308 12396.515 13146.81496 15893.9783 1093.437168 11784.26773 580.2707679 11289.06542 Glycerophospho-N-Palmitoyl Ethanolamine 9260.774946 19605.02496 114442.3786 15010.97551 29402.39358 147462.5409 33687.03575 28151.99183 26304.4895 46.85739687 27.58443187 169.5019425 24.68268883 219.3700319 42.31332317 4.07813e-08 670.537204 89.11638289 95245.38851 66609.11757 180558.8767 109575.9982 177721.5472 170982.0068 83096.72206 21264.36984 50236.85922 18.03817641 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.5795313 4.07813e-08 26.88646718 134.2044072 18935.41609 22372.15681 120062.8134 163027.8449 53657.79215 160119.5631 132316.6016 12801.45085 80169.9518 290553.5492 161403.6441 124438.2168 40704.95891 33479.04092 106.285654 130723.504 145.1434057 64135.96447 2-Hepteneoylglycine 62815.54474 25098.67255 15894.51351 19019.82636 19523.26055 12140.26685 10996.77459 17887.35454 14186.39782 1445.824273 1133.203928 618.8753484 1427.751635 372.9969348 1153.14148 1027.72208 1925.118065 2219.154456 17304.35264 25708.16384 16821.19458 9805.960791 13612.91678 14608.15272 10002.25921 5696.545862 9346.28829 1504.789429 1377.055122 1381.354543 2225.381936 1568.542865 1515.447025 1870.423427 1272.246178 453.5991171 12801.9855 18040.64736 14440.739 11537.27992 22111.00594 13405.88982 14178.80898 8235.59814 6545.226074 16188.16203 18583.56896 11883.89883 9357.03632 9729.968328 1536.401586 18701.36224 1600.007174 14296.43565 PC(O-14:0/0:0) 58102.12582 70410.2519 72753.58614 64886.72288 54344.1428 46413.66377 67979.2921 71254.93592 43339.716 48987.12504 31136.86397 50422.00903 51621.89931 39195.7773 40836.99051 69396.04956 48362.94701 57619.94108 52034.88391 35059.95283 31317.76689 51506.75567 38879.47069 35409.43994 33631.79259 42738.22253 53523.29025 27281.57403 33541.3892 42229.4171 38915.6828 55782.36626 32474.30312 26608.2036 56187.05787 49488.17776 41387.28624 46276.14204 49775.34927 33120.4264 41163.40896 44727.0959 34753.54553 41353.31818 49043.09106 42680.0794 36540.37895 48270.62479 31778.31379 46554.98728 30687.61773 56456.11787 52511.20602 72318.01144 5-Phenyl-1-pentanol 8597.253834 4826.938505 4782.228445 6477.115779 6895.819865 5926.269308 6646.03783 5169.992417 5170.903297 380.9284507 489.4890944 464.3265538 615.6384024 705.2973425 694.0829244 930.5053366 798.2757571 869.6790232 6397.756541 10144.19908 9941.232234 11207.10429 11508.70501 10292.7551 9683.232273 13420.40637 9478.949818 739.8416136 617.0194914 692.6528969 225.8975273 615.3428921 601.5773142 642.9469728 782.88826 381.610188 4460.983417 8312.901253 8062.93979 9673.225399 13242.13124 9852.95175 10222.44483 12446.00595 10199.10304 8931.34419 5916.093839 6447.753855 4901.327662 5054.157615 1117.122005 5139.23861 1512.194623 9788.975425 Sorbitan laurate 60313.95436 37291.41976 49115.91622 44236.15805 61559.97758 58352.85495 49600.59311 30661.77571 31904.16988 10427.2067 9747.363005 7355.161515 10713.05294 7164.596646 4010.853296 5312.435318 1913.824169 3009.36522 116599.937 81146.56622 62712.65635 90468.61857 156884.5338 107282.3013 74056.84932 48426.54557 78880.7423 2798.736711 4321.787143 5956.065144 1838.933406 5071.699947 4246.795868 3557.338318 4709.577562 3719.057377 41162.90738 64603.05974 43310.13709 58422.31701 102881.7093 134787.2178 94363.59057 52090.43873 179105.8143 30230.89586 35027.45616 35412.50848 34124.18289 24566.1213 3364.619248 50204.74052 4268.383022 77602.64976 4-methyl-tridecanedioic acid 28650.58897 22412.49133 24800.10845 22602.20642 21859.39844 23762.05318 24075.548 31631.78947 26390.87993 6233.013483 5837.304036 5315.940068 6304.924877 5352.533206 4193.107582 7900.963985 5459.635318 7567.057942 29021.07353 26431.3215 20256.81617 19374.43306 19023.36038 31915.69797 22026.46411 18622.9402 24282.90998 5145.019432 5468.842218 7176.004615 6025.802932 5189.233622 7166.225262 6580.039527 6199.951795 7095.815108 21123.54072 27455.98208 18924.15918 22717.28008 20504.43194 22911.07008 28185.86794 19763.65059 22043.54195 21324.56279 20413.59985 23648.08284 21887.50882 17901.8009 6300.237282 26238.25276 7935.386333 29597.30327 5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid 2852.767733 27430.58241 1444.985786 6578.578076 5218.549127 6451.133951 11191.52072 27045.28981 13136.37364 18267.43734 12998.73242 15497.79174 17262.93902 20765.70915 26901.05618 14610.5655 25690.09392 29826.34736 419.1363757 528.2583124 2395.532857 553.4597721 300.622565 4.07813e-08 1172.612111 4.07813e-08 751.7075425 14012.80617 17262.62622 27214.82954 25102.52585 63678.34875 18665.192 16473.28996 14421.37164 26276.39516 14245.75542 1506.818682 2208.123998 1832.219176 0.407750036 455.9762981 906.9005964 4.07813e-08 332.5268062 195.5137733 14610.20741 4598.776896 26193.82273 63497.18653 502120.951 15812.27802 264837.1163 36240.2668 PC(0:0/14:0) 77584.58301 64048.04948 99324.44762 108654.4779 125078.7302 86056.35133 76070.791 42386.4632 44686.62203 27537.69341 38106.70608 45508.07642 31353.5191 48917.33653 29466.58573 26255.21315 19620.90638 15066.44065 136643.5582 129613.0818 100217.3266 98058.41199 135314.9666 120501.7723 114938.8861 126966.9119 133956.1778 23620.03228 36379.79138 64231.09149 24641.56335 57246.64837 52525.98421 25393.37554 28739.02012 46608.17399 75974.11402 92567.54171 83142.15999 106287.4363 111351.3909 134715.0533 109096.0256 125163.8534 133562.5849 129278.2766 97573.31721 95103.55558 75057.39534 65181.02408 41841.9684 95166.15155 37001.1725 101573.7862 9-hydroxy pelargonic acid 214483.5347 145047.4424 147098.6358 110434.9569 126845.3629 139283.9943 168120.2221 131131.3651 123838.6155 66413.74097 58267.3323 50877.5611 85381.44385 48511.23507 46610.99633 23774.37138 25214.80778 47141.14605 187991.8906 192915.2221 144077.8604 142319.8653 176967.9122 198908.2136 165528.7724 187238.2139 182170.4074 37103.88036 56792.1062 44158.97541 38231.68651 69926.36199 73060.35825 57786.72491 35995.07068 37153.68434 134899.9076 171006.82 157580.2147 171250.3558 170911.6776 178426.138 169813.8304 182983.1324 243280.3781 156545.4884 139980.4704 132644.9973 120148.0431 106512.1553 68153.3559 127331.057 53831.58002 137914.6259 methyl (2E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoate 70284.6667 42450.02606 75804.2213 115377.8887 119756.7543 52954.7195 59989.7095 44641.15734 34759.7087 5851.575253 9074.22969 6282.871249 10997.54308 8418.47104 3491.669743 3344.747293 2940.192221 1830.820903 81109.97889 135287.2635 41114.12364 84105.2845 145433.6996 136001.8941 95867.22954 143651.5801 168814.6029 5592.049514 3887.297079 4955.935045 5236.896293 4383.078136 4093.772372 8349.45625 6846.712746 4707.411698 61404.83057 80583.659 39236.05038 80190.90031 121738.7197 104252.7606 124993.9385 151919.7606 171745.7701 94535.70607 80628.78072 48355.53246 41808.75276 60981.41099 4466.622441 50213.90305 33303.10996 67446.43578 Histidinyl-Isoleucine 47567.12292 33363.07415 26387.54139 8605.768282 10245.73895 26509.01357 24254.89451 70333.75125 55249.0845 17534.68506 4636.101348 4472.735963 18883.88088 2842.029096 12647.73246 613.5687219 9738.605617 27051.10331 44902.84512 37536.96827 41945.21973 37899.74123 33409.43984 39028.56301 40843.95856 29477.14282 35811.06449 10699.38399 12195.98801 2644.450163 11125.09698 8828.198206 4167.621503 15790.00023 2662.083073 3051.280709 33667.74904 31095.75659 35403.05513 41897.1546 35922.02862 33879.44433 34146.15798 31779.94632 31665.05853 29326.23545 19317.38896 33866.14806 32031.63785 29293.92097 16065.49269 32473.27339 1442.566376 29226.81274 Furanogermenone 16858.25846 10251.58454 15141.93678 12244.4955 15166.321 13331.46847 14161.75878 11926.37212 11888.26863 2315.678246 2309.946976 2003.65102 2776.198394 2145.953503 1923.782322 2988.808929 2465.334201 2354.243788 21727.97912 18114.57606 16427.51692 17506.35964 19637.21012 18021.97844 18351.04619 24325.26633 24882.39484 2299.548727 3345.604656 3491.96922 2590.249118 2778.42138 2827.013867 2999.252362 4525.694088 3290.117848 14474.50259 16517.53131 14380.94015 15901.93955 18998.37353 18071.65186 18025.94048 24907.86751 28610.04682 17208.01568 12704.2641 13401.97053 13398.52922 8405.2926 3438.099384 12024.79591 4058.583651 16522.76828 alpha-Hydrojuglone 4-O-b-D-glucoside 60.63131244 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67.25110487 4.07813e-08 4.07813e-08 4.07813e-08 3209.98146 4.07813e-08 1036.968264 4098.790193 84.67665668 1675.297341 4.07813e-08 3712.949834 1686.39678 4.07813e-08 4.07813e-08 4.07813e-08 168.8456671 129.7463156 4.07813e-08 69.18378707 4.07813e-08 4.07813e-08 5684.790298 2073.899359 448.3803365 7050.509257 1883.15659 5232.686905 12606.02533 21995.10575 3127.404901 4.07813e-08 4.07813e-08 4.07813e-08 38.80913524 101.5668007 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2474.327835 4.07813e-08 1751.967618 4.07813e-08 Medicagenic acid 3-O-b-D-glucuronide 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester 244.3308628 24224.00951 4.07813e-08 4.07813e-08 1364.40894 4.07813e-08 5612.701121 21516.55232 4.07813e-08 206710.6941 116727.3284 223.3080475 210237.2613 463.7963548 93569.45673 4.07813e-08 104973.0553 204431.9462 198.6010864 254.8754839 3219.179857 53.27624362 4.07813e-08 4.07813e-08 10403.1186 173.9813931 2475.836897 227911.3738 205022.9892 2589.078147 191995.5252 217480.755 103066.4566 232588.1101 43032.42578 8639.140079 33509.13447 978.9957952 1488.347238 4.07813e-08 111.816614 2167.29382 682.7885024 543.8708427 4.07813e-08 1126.127999 127.1809165 1900.430175 15178.33347 9869.154449 259503.966 3205.793005 211232.3922 6019.14861 Niacin (Nicotinic acid) 595984.6958 534298.8435 621037.1793 530714.3184 616973.5339 678760.1402 520156.3611 731177.1198 673197.916 82952.44865 89154.46692 117439.9517 78800.30519 116447.4873 61838.11756 96176.61091 120418.6779 114932.2265 543090.883 589283.4041 528639.0574 399768.6358 737930.8195 541557.8828 555035.4301 534816.385 878740.2329 79075.02606 85842.39905 150851.6179 106887.0404 155997.1267 97749.92709 47808.35532 111274.5778 100878.1814 347445.7 624969.2669 560645.513 758610.541 550322.8949 548146.6545 614099.1281 671567.0311 283750.5656 715988.1583 452415.6103 609689.3104 497225.6261 511786.2469 124230.8331 625000.9203 113977.9128 577580.8629 6-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 315.6847343 435.2883181 177.5438944 602.8629573 328.6160355 348.1121738 107.6261022 95.25691732 460.0571924 33965.25535 16222.59354 56515.0443 34480.30429 31213.93771 29551.35166 17903.36231 16257.77841 11244.48849 241.7477298 253.654978 158.7912976 72.27645819 97.97968015 220.0331695 122.9594216 261.261016 183.2511566 43113.8182 27691.88986 49952.96011 26064.29349 34227.7964 67446.77629 46790.48967 49127.71507 55151.28844 134.5510271 588.853005 217.4028053 249.2671215 245.1241573 171.5896704 249.5698684 195.6314908 270.2088094 184.0192968 460.7489368 156.1939499 4.07813e-08 103.3860669 45342.2579 491.3706419 35935.41225 420.0712424 PGF1a alcohol 19127.69005 44023.57445 34391.38737 27614.36001 42409.78783 43425.19074 26776.29619 49670.17155 45021.36369 94678.02119 119343.2609 142147.7901 93549.26532 150802.911 197330.2951 405969.6042 318959.2668 195706.7292 39754.88053 33872.08671 32319.67278 24087.47713 36099.03711 39608.6573 23853.16222 337854.2345 44933.47615 196999.9492 56649.52044 153110.3394 118792.897 93023.91463 131883.2512 105871.6232 371891.2251 134085.4868 23224.0054 27362.94793 26174.52684 35437.29803 25836.47564 37924.46797 37066.09737 285943.533 78071.25318 24676.16608 35992.74664 31643.16263 41665.55599 31673.5545 87693.12048 30786.44329 153169.5728 34110.70959 N-oleoyl glutamine 8469.391479 13479.18419 1604.657187 2957.507236 1739.533268 1366.802517 5575.06666 10151.74708 18799.21706 60760.12039 102846.8769 34513.00353 50403.6918 22622.80334 72870.18168 95309.10524 41408.19288 46624.40582 704.7292042 2065.2094740000002 3785.210055 964.221406 1211.111052 980.5727836 2641.782205 988.162971 1561.160917 23258.13218 52438.4869 29906.31485 72782.50577 31968.98357 65855.41602 98168.52282 44113.50874 33338.84352 3297.610422 1248.007486 1931.259558 1631.085651 294.1515342 572.2765762 747.7570084 988.136234 2463.108765 42.26864645 1737.079958 1138.888972 2456.274769 7603.962657 24227.9808 1178.06862 19830.49584 988.7464544 (10R,13R,16R)-d14-9-PhytoF[9S,12R] 70424.21581 48316.88654 51460.39049 48024.47081 73480.15911 50974.2271 55679.36172 42715.92101 42073.34803 13040.23218 14007.81546 9234.069258 13343.78974 11181.62266 11691.59481 3202.307411 5451.417407 10988.89758 121830.5031 88893.69361 72745.11203 82983.36578 133129.5951 131097.5549 95866.53519 89999.14783 73037.97218 4430.651742 7604.952968 13212.79619 3929.800268 14625.30929 8367.815468 8855.132436 7929.691964 7219.477707 63919.31335 80678.06654 64755.20375 67918.09628 99418.51103 113945.7122 119861.574 84075.81643 125706.3603 67158.76502 49708.53028 57231.88556 54573.9519 42192.49764 13243.05527 73200.50521 20925.63284 62629.27408 Isoleucyl-Glycine 97854.44422 88603.92309 56334.61157 85310.66 53071.13117 54934.96675 104369.6946 118568.3945 144393.8677 8438.946721 6646.935804 6136.994311 7552.166524 2430.350345 8117.34379 8902.231263 5720.720635 5043.94542 19364.193 17148.50459 24899.32305 13575.6913 21312.92504 20157.98577 21360.50672 12628.62883 11767.24642 7733.276953 4968.095356 3538.737237 6802.605283 3412.273192 5498.873305 11889.85584 11664.31577 5681.178814 32121.58114 27284.17176 34309.21527 45895.7259 20129.45486 17302.95021 23928.49826 10052.19894 8659.857705 18585.66196 45463.05788 34162.25587 52110.01149 64448.64976 4363.976413 34092.22247 6582.336728 25196.6312 3-Pentylpyridine 1329751.568 1307799.657 1265698.694 1300999.041 1268241.676 1121385.975 1175982.027 1225456.635 1248733.873 845309.8766 803336.8357 791621.9538 829895.6488 877152.7143 741167.1928 1046581.186 792209.6697 921209.4564 854650.3659 898565.4693 849593.4806 898277.148 861046.4267 891438.4319 1002735.59 1109426.677 1015186.692 762469.9941 891743.9267 1001281.777 1001782.418 887332.9004 893901.9753 787958.7985 934326.5379 989865.6097 1047560.374 928696.6931 951981.5622 862113.1837 836631.6726 906124.4586 921635.2856 1112482.231 976773.3623 1057916.538 1011445.303 971833.0665 1038097.881 1014119.461 765078.3852 993559.677 990073.4746 1173780.904 Pteroyl-D-glutamic acid 4.07813e-08 8517.86411 4.07813e-08 1713.518968 4.07813e-08 356.9838993 3006.7629 2748.31307 4.07813e-08 113147.5548 115406.4999 194895.3921 120957.6093 176578.3155 75796.62863 116027.6687 51637.6505 111188.1169 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 94625.28954 107367.3914 186892.6228 64512.58551 123882.8202 183327.0391 114193.4566 87950.56644 156054.737 4792.77859 4.07813e-08 4.07813e-08 158.852699 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 329.9346258 4.07813e-08 2038.592297 6458.998198 135056.8526 1696.192436 112826.988 3903.950984 2-(hydroxymethyl)-2-methyl-2H-chromen-5-ol 43484.72708 27555.66776 48845.65684 52396.04426 68545.01477 38983.20132 44506.30521 37208.85299 28961.61125 4497.57743 3027.535135 3991.858489 4153.226193 3343.923471 3575.81959 3685.996623 1996.80023 8045.282596 89552.65215 80724.61642 37328.22096 68239.23503 101237.2465 95267.81014 71411.47285 99208.49236 102041.6871 2890.084434 3682.685244 4535.553781 5727.995661 4270.450406 4526.546483 4738.906582 2622.822477 3838.988424 45409.30458 60712.20186 36891.89004 74112.26951 79525.36943 80921.6216 83325.18305 94745.11819 109183.2287 53207.84451 50039.16324 45852.46786 38364.54381 27107.78966 3967.103822 47742.53979 4172.905921 64268.67335 Behenic acid 76874.39438 78248.20757 74844.97324 75721.55395 70967.55846 58997.76167 65008.21826 68977.39447 74247.99733 82380.8145 65481.01808 51600.15225 53051.15301 63463.42919 48187.26337 69373.21033 53480.30826 59819.88117 51607.60623 51040.98982 48877.16001 49026.40374 47250.35427 48634.59199 56316.14444 62644.35924 61840.20629 44192.60619 54207.45407 59113.91629 86621.81003 51370.74651 54054.85563 48043.50788 58724.52387 77811.33165 60755.89044 48474.83604 53335.79133 46062.37267 47603.6622 49204.9655 51539.28231 62920.58022 57048.06104 58470.78125 57568.81826 51111.49091 55080.64637 57467.79033 43588.01423 58658.91695 64878.21895 70439.00012 N-(3-Aminopropyl)morpholine 20636.95838 22157.35785 19540.65979 18715.69362 19493.84749 15773.63385 15778.56595 18716.22489 18573.56439 12375.53322 12029.63212 12558.13641 12079.19597 11988.81364 12757.26848 16007.57611 12183.61033 14372.77028 13879.16429 14183.16047 14026.43539 13209.06173 11506.23605 11346.65171 14076.61076 26194.09487 16545.61901 10772.55073 14273.9028 14303.68259 13893.98273 12691.5387 12516.99332 11932.13587 14879.70213 16571.62835 15757.75077 12001.53952 14123.79223 11009.39544 11353.76577 11773.56504 13274.55901 26479.01874 13819.99522 15844.93259 13566.09073 13729.97396 15087.88058 14408.59897 11816.37924 16467.69364 16356.41539 16757.26437 Tetraethylene glycol 60545.5496 49484.20452 57647.78527 51187.66086 46686.29297 50332.15464 44148.37492 45201.91814 50689.8011 34811.79254 27755.12802 27589.22837 39425.06968 34640.7729 28885.49734 50035.17295 33241.48637 35037.61901 42559.67549 41146.90572 51819.74013 40060.22101 40895.79302 29753.76308 50381.17369 42694.77875 37485.57271 25334.66736 35881.25153 39079.32518 47067.35529 33638.44277 35467.394 27973.05617 45630.42573 41600.89623 51669.52605 42984.03275 44708.20676 40945.83462 28675.22883 45245.41189 38415.72014 51048.85945 41778.73643 44268.67605 49827.16764 43995.57471 44794.92998 45717.03223 36923.0694 38997.42484 37987.21514 56859.97028 Hydroxypropionylcarnitine 12350.80698 9153.703907 9074.111669 12247.30198 10941.17221 9215.110265 7733.979754 12473.22655 9154.641348 9976.219644 33422.104 23176.14004 6916.613788 51308.51529 7073.027502 31366.64382 12123.96651 25444.44337 12236.74694 14836.83987 21905.44353 9457.197262 37902.65861 13024.46984 13409.83189 6858.496295 20956.37266 2031.582616 8946.624058 28931.54198 3431.535674 11746.34325 7828.526471 2535.528508 6149.242987 13805.53981 7029.205546 11768.37599 19418.8485 30758.59811 13018.05995 15445.53397 18933.74483 9173.981829 7362.561392 13439.03978 5316.807843 11482.29202 10875.30792 8935.815703 4791.281824 10189.88907 11922.55795 11096.02888 Taraxacolide 1-O-b-D-glucopyranoside 2540.215967 10287.61881 2163.857452 2888.61018 1151.345002 3824.887169 7629.444717 9011.01407 9964.855431 7568.303759 12966.96422 11435.88663 8100.967676 19606.92546 11406.79303 9385.271089 18332.51026 19451.21569 60.67349682 0.619921432 1309.043064 150.8521702 4.062984493 30.74366583 432.6882341 515.2919935 1802.604497 5212.749624 8044.341542 18161.44485 5305.543333 37181.44618 15400.67346 10694.18783 4719.409925 13105.56128 26.33401278 837.3942823 2025.786036 830.4083561 386.0132683 219.5485855 443.3367087 659.4272599 4.07813e-08 534.0095161 3693.95342 1574.304122 3259.091315 8120.111398 16844.98678 2136.203825 1557.939734 1431.371015 Carisoprodol 3302.931458 1529.345485 2746.768736 801.5162718 1567.726385 2786.981109 3043.540913 2641.121682 1893.006299 78.91666062 390.3167515 204.6024502 101.3788904 4.07813e-08 247.5575727 82.46011497 73.81010633 100.0124051 14504.39513 14363.24574 9696.065011 11636.81525 16836.60354 18051.16486 12228.72116 13208.56757 13501.94817 461.6286354 345.7158033 250.4197833 352.4468243 742.6549328 386.9853469 804.1067177 182.6917121 215.7780641 6008.341941 10443.19023 9713.013292 13075.82509 13324.14633 15315.99443 16721.64979 14548.50852 19723.56781 10893.31096 7693.682166 9941.404224 6983.953545 6521.589513 892.4681435 9252.42843 310.2600896 12373.61044 omega-hydroxy myristic acid 14325.12596 14988.63707 15903.76871 15174.21646 14690.21661 13409.86898 15681.12798 12143.79851 13334.20554 10416.56681 8651.889301 9337.691556 9769.852641 10792.57241 8990.843184 11933.24358 7411.210848 10075.82695 9246.219001 9342.515358 9526.517998 10167.12008 9548.27988 10629.78604 9504.442222 10249.35839 10765.12494 8261.274644 10147.68098 11743.28653 15829.39094 11283.85161 9731.135657 7817.631349 11113.5622 10752.72922 12984.58711 11731.81257 11150.52436 9650.538407 11904.09711 8108.838922 9010.691518 11839.2609 9482.721153 12938.55663 12219.7503 12308.37132 9558.449638 11400.90038 7467.795738 9434.120616 10889.47199 16758.82756 Glutamylaspartic acid 50182.00727 23130.51239 96922.0979 62427.09623 61606.92107 65220.26718 42060.96916 35877.85623 45490.94009 49547.44223 55034.63682 24142.12068 42561.04213 39939.1509 39827.39298 37776.51652 45086.47484 26402.03722 82206.10891 61273.50795 90481.70077 48310.93754 134536.8003 90100.39144 67117.82777 14725.35312 68723.62144 47362.8165 53742.99389 52658.06319 58907.39936 30022.92371 32617.62867 71965.74106 47247.98648 55034.2068 29199.5648 62967.105 76366.81119 226591.1842 73878.56496 77980.52772 132718.4167 17476.28103 24279.74476 119063.4473 44320.00892 59336.20794 36695.22571 50189.4732 29431.58685 81363.46042 61935.68211 52809.14092 Dihydroferuperine 7792.527538 3658.936956 3173.187536 4.07813e-08 374.2919789 1257.319565 5584.364384 5822.154755 4309.160945 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2322.40583 22783.87615 779.9451098 6184.653455 20727.35245 29849.89532 16917.43338 9605.794683 19941.45452 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5533.277804 12492.53344 1451.909974 6594.482402 9396.57311 10552.21428 24395.90377 9873.613081 16706.89314 15548.61762 12877.04157 5712.750956 1972.685634 1844.177473 4.07813e-08 2250.367927 4.07813e-08 19639.58808 Isoleucyl-Methionine 32144.35856 48292.67776 19593.54816 44509.85783 17554.75025 23951.77705 37700.9677 41010.88567 38713.21238 3132.283537 2799.154222 4026.420153 2357.570866 1462.821828 3273.518876 2449.357367 1319.97264 2034.316848 6851.440815 8725.334494 16395.72701 5871.680636 7592.606628 8020.498704 7469.308635 7951.217071 7690.301927 2463.501966 2317.098854 1453.66355 2962.343805 1691.051958 2185.56509 1862.780113 3196.883133 1580.110117 13763.14838 12281.8685 15345.22435 15059.40447 6278.560548 5567.564108 7927.752962 7691.731231 6423.669134 7385.561587 19805.51623 9347.854022 26329.55168 77835.76664 1196.061149 9425.518952 5656.636472 7843.897676 Indoleacrylic acid 4.07813e-08 3181.487106 4.07813e-08 59.92279606 247.8275366 635.169611 827.9454565 2081.77754 1357.584387 2420.232974 5283.754501 3800.250362 2282.330651 5342.078043 1692.202754 3399.830447 3932.68982 3566.658583 4.07813e-08 4.07813e-08 4.07813e-08 89.51501537 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2350.883318 7902.674417 7318.227878 2642.485316 6603.503369 2795.328445 1632.66419 4625.021548 5022.893079 387.2578661 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5137.529092 1183.162881 2847.833606 3877.932827 56642.16606 2210.082356 54502.14287 4775.238567 10-Deoxymethynolide 3740.656714 2837.697101 2177.956371 2959.35786 3217.832272 5043.960444 4644.225882 3372.091808 4891.000617 6442.247954 17058.21945 33425.45846 7071.180062 60937.30803 32478.08439 41541.8701 11561.03066 28589.38336 1206.107931 921.7511641 1157.508382 2329.474124 1768.037793 2446.766783 1507.459214 1112.927638 3049.098297 2833.788045 9663.727008 48078.60488 13445.83079 27607.39284 13240.83291 15150.56262 21556.15674 29114.99305 3746.534724 2322.966588 1514.433553 1516.002993 1423.255575 1128.01095 2334.111564 2131.017843 1332.817087 3262.892221 4058.723896 2322.587155 2543.721772 3082.725225 14853.02228 2425.554464 14147.91068 6166.798842 Prostaglandin PGE2 1-glyceryl ester 28613.99514 20329.90035 27029.11893 32126.36976 25426.34389 33681.93853 33946.8539 21103.50218 16757.15464 42530.18159 56728.35384 85396.25024 42336.55953 85232.52035 66631.71295 61120.44312 51276.31685 52033.86189 21280.37256 20778.80519 17157.5494 24398.12749 22037.79782 28651.92744 25324.82103 13062.09895 18885.28112 46219.38084 43498.40094 53843.22208 40193.01508 56416.66685 65980.75067 40182.93376 58853.40217 60904.56107 31716.33664 17960.0858 12375.06468 26499.03938 24356.97986 19581.84213 22169.22034 8022.577467 19794.94435 37893.51857 14012.61658 13465.7722 9715.590879 6430.824347 45360.51038 11660.66892 41405.42771 20976.05352 2,4-Nonadien-1-ol 159175.6792 159287.5264 159887.2338 156246.8922 154260.6306 133560.3846 137926.0914 143393.6157 148874.5573 101103.1432 99270.66499 92949.47415 101394.4329 105946.0342 85814.37946 122998.0167 92069.69064 108281.2678 101318.24 102762.4559 101763.5638 101097.5877 97505.9249 101887.4192 111977.4929 124689.9334 117102.6127 95870.32681 105677.0198 123604.1105 127145.5549 110185.4285 106810.246 96542.96378 113873.3682 118846.9977 124580.4512 107372.894 113522.7759 100810.4766 95110.77382 102918.9522 104403.2112 132836.0952 114828.1908 125985.3406 120073.197 115844.8778 118225.8988 120022.3376 91224.51481 119038.3277 124163.0872 138990.1447 Phenylalanyl-Glycine 17719.74452 137990.9524 27778.97304 14411.17177 9907.891137 8079.450459 15881.38825 11075.62859 20405.23534 2188.39056 2020.943297 648.3487052 3210.308224 978.4547024 2151.395755 84.68443341 709.1927808 1895.446348 19022.17697 15465.35772 30720.63985 11592.86298 14568.95345 13740.42852 11946.35146 14942.62292 14588.88225 1115.757049 2127.0107 865.7253477 1163.666065 3055.595717 1065.030947 4123.333654 511.5800138 930.240178 20215.36641 28576.5481 20749.47385 16138.12964 10464.69016 12256.87168 14635.12506 13801.63459 17166.46115 12246.11183 9888.58928 13623.38828 18379.72388 124022.3513 2442.715525 13011.37647 1745.510126 10129.70605 Allopurinol 388951.2967 669082.1613 560329.365 314146.7536 531855.6819 354845.4929 249556.8322 1162205.044 922230.6127 36196.07773 27449.25019 285824.4194 37475.46712 45726.72116 57323.46441 20184.59204 54375.32354 51975.26435 324964.4834 339915.0543 194185.0915 195543.9994 188547.988 319070.3579 270224.3651 86263.0715 261472.3295 45838.11796 47303.15974 33055.91682 59175.82445 40493.11831 23882.10871 11809.23964 69382.07271 38387.98003 270066.902 278586.5488 309741.0264 379972.2378 431186.3713 335859.7808 514455.7811 245282.9265 86895.99845 1035337.844 426176.6452 1011266.732 670610.4623 908302.5768 39871.48402 922844.6684 67062.45978 469366.8266 9,12-dihydroxy stearic acid 2776.520167 2563.81494 4894.745402 3799.195442 6313.436178 5075.848203 2361.018603 2271.372767 2690.388103 186.686783 444.4940375 263.804717 685.7611783 224.0051301 250.0914575 230.8237237 436.7040721 320.7948751 7353.993422 10232.08081 6063.733059 4609.997815 6034.647014 6888.843044 4103.805019 57437.65462 8167.19463 67.74259542 300.1185309 355.1236126 104.5921611 660.260913 341.7408289 94.79919209 554.0958383 4.07813e-08 1348.939825 5466.635164 2301.379995 3635.594257 5908.784357 3768.1573 7716.488942 48857.91028 9145.153739 5801.562818 5837.676526 3721.722561 2394.387115 1598.450357 182.0076956 5531.952954 343.4618518 4038.466581 Mefloquine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1797.572999 1508.774499 1018.681493 2388.965051 1379.65199 722.8147625 645.1320465 62130.13485 2494.348252 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1611.982369 1559.8407 2162.493043 723.9596249 2040.007105 954.380498 1126.680401 17559.08416 24579.13615 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1256.577575 4.07813e-08 11582.44388 688.8237129 PC(O-5:0/0:0)[R] 64918.81925 107788.129 44433.69488 66509.8289 37552.02067 58016.39318 86239.05745 122319.3521 145623.9851 7314.65999 10237.81043 10868.50859 5375.966864 4960.248141 15379.27404 15840.13423 11070.47876 11088.3161 15885.61087 16321.94136 35115.7258 13304.0622 16182.72374 16336.60623 13771.0981 20180.37074 20842.50875 3672.646701 7548.483802 6029.527697 13128.95563 9369.350446 7579.660856 12504.0372 11100.06447 8863.721992 19178.38779 23944.59989 35145.59265 26901.67783 13651.65547 15163.60298 11205.46074 18609.77936 12522.9179 17882.03909 63882.50455 31052.40712 44710.49188 82576.14661 5162.531791 28102.2573 6660.740558 23523.31536 6-Hydroxyetodolac 19959.08074 11843.16783 21727.8402 18147.01006 25206.00528 18124.5315 20776.2789 14114.11185 11964.76229 376.3895827 230.9467695 363.343578 608.2895628 254.0355223 251.1397872 119.8554622 447.6856884 329.7849745 42621.79946 42733.86131 31662.01463 39918.85482 46916.8243 48093.71746 41474.55731 48357.50617 44675.13333 201.0663937 127.6838745 441.3162328 577.5907443 964.5714657 538.6251619 412.4295958 79.72296414 484.2606705 28086.17503 37130.26416 25258.51945 37714.41468 45886.0364 42997.53362 45323.59364 42595.66609 60324.75029 39190.71109 27338.66899 30955.34075 23218.49154 15954.3887 590.113 27051.67932 736.363458 32005.87465 Benzoic acid 4.07813e-08 1676.364796 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32.75056608 4.07813e-08 4.07813e-08 1137.123003 1610.441358 228.2283914 1767.31033 163.7165096 99.05538307 94.52775832 226.5352643 204.7385393 4.07813e-08 4.07813e-08 907.2876763 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 600.3077363 531.1559474 674.6839327 715.1315938 731.7249388 632.8372735 228.5165766 362.6466285 1206.382298 35.1355007 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23.07541142 353.9624382 8811.200544 4.07813e-08 8081.188608 129.684688 Taurochenodeoxycholate-7-sulfate 4.07813e-08 2929.409593 4.07813e-08 342.2670811 4.07813e-08 4.07813e-08 839.6228375 444.3977255 1180.486265 57877.60013 65693.25383 47623.60163 55145.90169 26047.2783 93586.75457 42294.52828 50902.55191 38677.5621 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 211.6697548 4.07813e-08 4.07813e-08 4.07813e-08 39100.34029 61182.83767 22223.34925 51088.46346 29460.19161 48078.12695 71106.40026 60467.55998 19038.81546 1067.104846 4.07813e-08 339.1529833 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 350.6142835 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 250.6935382 949.5134473 35689.20403 4.07813e-08 6242.700907 4.07813e-08 Reserpic acid 3144.146226 3468.620826 1633.991888 6994.965289 2138.772724 1994.180457 4428.834462 1697.872231 465.1058675 50.08336648 175.5099351 51.35505912 91.49196948 138.3118755 56.6472133 4.07813e-08 104.9499564 141.4440086 1129.273923 1276.028212 1527.318471 18053.19514 1605.062694 1726.537503 3593.282302 938.7645283 1649.022874 59.80358034 185.1411286 96.99477022 385.70351 52.09606127 125.8154005 49.04571887 4.07813e-08 4.07813e-08 46014.63067 1506.735036 485.3692703 1869.897161 1511.174095 1676.751298 928.6989715 754.8681939 2303.795829 700.2355464 435.5804925 1156.00385 3177.041437 5767.30449 125.7115399 1931.132922 8782.950819 713.1804904 (-)-Carvomenthone 49053.23267 44722.90209 44967.61916 47737.85741 44530.88008 38590.44115 39370.81995 40939.00102 42235.24905 29656.37845 28048.42019 27419.78103 28930.6925 30387.52673 23821.58491 34338.02014 25806.61107 30675.75057 31875.75386 32430.74674 29604.41231 31595.20097 31131.00093 30268.66814 34995.44397 36376.31682 37067.76637 27174.39499 32140.05757 35843.51022 35403.57316 30391.7668 30886.38997 26765.54782 36879.55415 35429.36782 37824.33487 32862.78032 33269.5787 31783.29 29447.60684 29552.96074 30329.96776 40956.4021 33836.91315 38682.43819 36280.22019 35190.614 36263.6159 33550.12966 26748.25847 35891.81132 34426.84505 41585.18987 11'-Carboxy-alpha-tocotrienol 38608.56728 26287.99798 76850.09116 32120.87786 60390.85481 179421.7113 58827.18927 56857.6767 98679.34879 0.932224803 4.07813e-08 5.171917844 1.894548421 4.344397654 319.8259768 498.6934595 581.134727 359.8024284 220314.6401 309509.6656 224121.7371 217953.3545 410926.6366 704281.3787 238026.9113 58360.58069 82704.52362 95.85496709 248.9483827 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 107.2431156 365.6256588 13.56344896 49711.0346 171393.2376 137813.6917 266638.5494 266430.3864 310572.5109 527026.4709 71348.84136 83020.01787 517083.275 169483.0406 236257.1227 87777.49707 44375.15461 1406.744813 138889.3092 113.197638 102323.1617 Phthalic acid 80697.95884 80057.33224 79083.39267 88240.51468 76717.47852 70033.31976 80802.02045 71957.32435 74451.85627 54085.12152 54270.19395 48430.47799 58007.25393 53280.0392 44818.60085 63319.03227 42151.97389 52325.29859 53911.03431 57185.41576 52127.44499 57835.30247 58955.58941 55503.59354 53641.45861 62718.65449 57568.78699 49448.49873 58004.8243 64598.72393 66362.43154 56620.94988 49795.7801 47666.97787 58354.50489 58050.36062 65126.36134 55545.1134 62209.32295 57020.33009 49853.50954 65781.15276 54839.96295 65106.22776 66564.61162 66067.19723 62511.73921 67368.38013 61760.13308 58795.01889 43884.73759 59559.96902 61206.13406 75305.62073 Acetylisoniazid 1827.522468 2395.955425 3493.151798 2521.200645 2904.361453 1157.413597 1198.779033 989.2362001 1325.340961 993.4438482 355.5896887 4.07813e-08 857.023854 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6222.977668 12261.84349 6413.830487 6784.02719 9097.723774 8493.969641 9973.667908 4980.301024 6364.584652 904.4622049 4.07813e-08 258.580176 90.88406066 4.07813e-08 4.07813e-08 1934.876355 239.1762048 126.933517 7746.467092 5948.456543 2347.524447 13425.58127 4834.463437 9188.648877 7486.329482 5951.428663 4111.813508 6176.71618 5853.668419 1883.545459 1949.989016 2811.33533 88.83185619 2373.560598 1614.510124 3912.047487 OR-1896 11896.15137 9930.222407 7330.347844 4252.372253 2853.871609 6540.71575 6137.942463 8046.773426 8639.008715 7207.010428 5794.657256 3803.22382 8147.738534 978.6242202 2035.268588 2533.048207 1902.997124 3127.343231 22422.5846 21123.06197 19281.5196 17445.32908 21021.44102 19975.78464 17612.73815 31206.90808 24805.71442 8856.15498 7548.7861 2114.859959 6547.107599 8448.310382 7388.516852 8186.516724 1639.853848 2564.637069 16403.08127 18108.47945 18081.56195 20467.87596 19465.64182 19703.64048 20001.43589 29691.79644 30970.58748 15639.30311 12357.78692 15309.88757 13875.48268 18981.06063 11542.15983 15352.03397 8949.646217 15838.21131 1'-Acetoxyeugenol acetate 9978.072802 4759.342359 9074.019429 12862.31217 11400.72106 9766.665445 13734.03494 8586.674723 8324.097942 156.9936762 327.0054476 623.595438 325.291043 432.2563149 422.2921179 408.1794737 87.80946531 291.1662075 14100.85142 18163.16082 8945.511943 12556.99702 19787.24326 39992.12121 17285.31904 15557.67487 16986.99275 99.17077812 100.0287118 466.0672408 19.68214678 3.388409531 634.4797473 8.187017911 1.289944933 0.068998757 10027.2616 12827.2437 7532.260447 12895.6511 14857.97318 13178.74478 36455.05425 15705.15858 19163.68689 25055.78458 16007.6077 10375.14078 6730.089113 4568.882628 128.7484364 10221.12748 131.996694 24997.17896 Artesunate 111.6344495 4.07813e-08 4.07813e-08 50.91526275 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43.65021863 21562.70521 4.07813e-08 4.07813e-08 168.1399185 2876.157984 39524.35324 42050.23904 179.1818767 218.3954947 158.4230038 687.5548915 92.95258709 4.07813e-08 4.07813e-08 258.6873935 618.3093166 151.9795356 24477.03053 4.07813e-08 10658.99668 4.07813e-08 19125.6458 11864.19579 4.07813e-08 10475.71334 4.07813e-08 63.94573993 167.8343479 83.26957749 264.3770353 161.8080415 174.1313896 4.07813e-08 459.0539856 276.5903317 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 528.0545964 1743.805555 4.07813e-08 17945.47162 361.7176309 N-Decanoylglycine 23714.45911 20907.11461 23476.95382 20841.98827 21715.54283 17939.92656 22698.51953 18708.73182 18475.98697 13588.83688 12811.03544 14480.0846 12923.65706 17204.31758 13398.60986 18828.03372 13522.00246 14534.13987 14020.63579 15144.98054 14056.94384 15338.53245 14440.96731 17296.49301 15732.18394 17942.32757 16760.54822 14711.55717 13510.37599 15766.6924 15514.30921 13638.82817 14013.42746 12100.44838 37012.71672 16199.93947 17306.96079 16255.39215 15747.68872 13254.28384 13909.88285 13767.51076 14714.92283 16831.77143 14566.92227 19374.54913 16392.22703 16231.85167 15710.46746 14110.17978 11870.64932 17287.86794 15714.36819 17864.53134 Taurine 189996.0545 106309.6011 76601.62459 71252.62884 20557.17826 77099.86735 42886.42527 65380.52534 31238.03476 57968.24132 30657.33059 212795.3501 59504.42042 193784.1821 407222.4314 190477.9933 748194.965 249251.4307 11972.15175 13293.67958 16170.81966 19224.87757 7962.516994 6616.792764 23215.23849 9726.776502 9863.232369 135643.2355 273844.0865 89103.72403 284834.4482 124761.5996 71833.67639 274802.276 383902.6378 288585.1492 298151.4596 10607.99365 11593.62991 11352.23169 11072.83139 33406.40636 7564.636913 10107.22673 9802.031088 47276.1231 97711.17126 97514.43996 199467.505 212023.1961 235067.0791 72695.58408 85316.12671 105419.4986 N1,N5,N10-Tris-trans-p-coumaroylspermine 4.07813e-08 980.6221601 93.09794223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1510.521108 2127.608322 42502.47228 53089.51923 35441.31654 45674.81462 20142.06352 58763.8043 61358.17371 26196.71425 32645.13408 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36361.18797 51728.96742 22156.59094 60184.63855 19654.86358 40862.96096 69055.62766 41311.00017 48876.80055 335.3252957 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 502.311887 4.07813e-08 451.8251648 4361.890555 22748.11001 4.07813e-08 13380.1673 3810.19221 Idazoxan 10601.72108 6790.006086 8014.142932 5182.514286 9057.897065 13039.36365 12391.33049 8197.821151 13531.3817 178.4855495 112.7606654 311.4427659 87.75478629 203.6972533 103.0097751 119.9347691 144.2608515 227.6898485 7168.521096 9905.723582 8809.584334 4661.412992 16959.77661 13921.52424 5586.264133 4254.463049 16643.67833 62.44679478 124.1552301 368.2317799 94.40200542 104.181224 236.7475543 248.7052583 121.6396999 144.6041065 2351.787514 8738.90377 5607.264915 13810.60806 7095.204131 6869.795417 19093.70809 5253.883713 2660.152881 6251.51772 6395.056017 5477.595721 5969.008568 4603.664218 230.0151986 7917.021 587.1655369 11000.61397 Nalidixic acid 761.211681 2442.019855 894.5341715 1019.652747 1222.471819 808.4703063 1115.244422 598.813787 468.9828998 32265.76993 46545.32504 10785.50971 45060.14174 12363.30078 6156.730918 5938.957889 15013.9669 14904.00402 1374.132866 1264.606889 1952.80347 1738.395114 1572.801535 1379.033967 1232.216559 1623.157217 1559.923674 11477.82583 24983.68984 27800.34339 21557.01042 24291.66457 12209.3489 13042.20907 17314.48762 38710.49154 1877.068011 1343.776051 1046.24343 903.4560656 1256.103417 1376.80221 1280.744657 1554.781849 1729.5239 944.7002038 2054.767222 1252.851077 1921.264245 4369.164211 25788.96351 887.3506633 26147.59129 3046.148321 OKHdiA-PE 1737.210798 54161.10401 2391.279506 3701.269842 1659.090302 958.4589447 24297.9904 4541.342963 4333.305411 233151.4667 206657.3977 120614.1589 244994.9696 136883.092 181308.1648 82505.46071 174844.5393 122644.932 4.07813e-08 4.07813e-08 419.1853314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 142947.3182 169844.2708 164213.2427 130195.8004 243885.3031 140613.6563 140743.0519 102341.6501 113963.3736 28232.21503 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.77214024 20.04920791 1231.705497 8432.559631 37852.62258 205547.7807 10107.00607 153409.905 9874.215988 DIPROTIN B 198963.9441 156290.978 137982.2416 217009.554 226928.9628 218081.1766 195883.0875 201883.9582 195396.2952 18368.49451 17366.38281 28302.25921 19549.5906 16579.10695 18024.98295 18067.96661 14442.99123 14836.64573 79447.66148 69358.58117 116694.0674 82667.75849 100159.54 91895.15936 99083.79532 62608.2009 118519.9789 14689.41664 16829.3508 16886.6821 17799.39585 15981.51981 16954.90881 16564.63341 25652.20191 16691.4218 74740.26938 110795.9364 148422.9624 147360.6845 131376.7066 97179.63648 96985.6853 52868.51518 124288.9022 74966.93333 102060.082 106620.9801 138134.1701 138469.7824 13156.92231 104033.5727 18426.09483 63602.17509 5-(4-hydroxy-3-methoxyphenyl)pentanoic acid 8551.521404 9070.572467 8880.890125 10010.38605 10429.39203 7861.135471 9018.629867 7809.616849 8658.41376 2479.262168 2576.983262 1665.491882 2917.316002 2589.840277 2047.28787 3171.769593 2747.272849 2464.798955 12777.09466 17017.54581 12149.71713 11082.84085 12179.48574 13268.08812 13828.72534 14872.22634 12645.55032 1842.179504 1821.960481 3639.173228 2306.377228 2467.018427 3004.432593 1833.68036 1907.401823 3243.668035 10222.59867 12580.07616 9321.646261 11339.46816 12696.87149 13107.92203 12602.62449 13604.42481 17984.3235 16169.41576 13243.1358 13575.07422 9667.658769 9912.745808 3319.046856 12602.06456 3038.040939 14458.79476 1-(O-alpha-D-glucopyranosyl)-29-keto-(1,3R,31R)-dotriacontanetriol 167824.1136 197917.374 198016.0199 182775.3839 161404.3398 137391.8258 184598.5549 193432.0151 129781.0206 117771.0679 105005.429 116089.8504 127863.3041 107146.6055 120851.7554 192141.7656 111717.1322 128814.3314 142202.4563 109381.754 82944.30706 128201.8796 103906.5901 99319.56743 112528.3672 136171.6074 146056.7567 68120.50708 116766.8932 117171.1221 112540.7287 135333.7663 93304.81011 82276.0285 149942.7403 112664.4342 117816.7666 135427.0786 132067.2416 101890.0923 129640.2351 123563.0152 117062.1903 134360.374 133071.3177 142635.5008 115375.2668 146898.8317 101755.9279 124199.7468 90749.14485 160124.3009 131222.5701 171860.3096 Rhubafuran 3113.742734 2569.93282 4780.912356 4016.793217 5864.122232 1569.504053 1005.56797 10559.64041 7316.764671 57.71689902 102.9973428 51.74763148 10.2031927 38.9924013 49.8122772 83.52817265 117.7414172 75.65235857 7111.808946 4132.225494 6178.25137 5554.871693 1345.346285 1160.599204 1261.537483 6757.641936 11471.2703 98.89467971 70.96830738 49.45795662 98.31805304 7.877062371 49.80818655 108.4769188 26.2940064 69.03559668 2365.681525 3038.345023 4371.382655 3870.887613 4994.614699 1707.451473 1032.28269 6204.493668 12595.15389 929.9440871 662.7037055 1515.568101 4369.127545 2644.494562 159.0698646 3490.040661 330.5698221 1559.652399 TBS-Corey Lactone Aldehyde 6390.825221 6516.581731 7234.681397 3578.17614 2060.267961 19181.62486 13966.6079 13879.89518 9757.863553 1843.835505 1156.226448 1865.521098 2005.138469 3156.896914 2783.531278 1396.408533 1899.759117 13189.87444 31789.9366 35733.32859 44493.54869 57488.6476 65228.97052 44638.64232 39282.95587 56361.4335 50041.06913 306.0799296 1248.098333 946.7007933 6893.384935 2474.814024 795.3857155 3471.377851 1832.043903 2572.345325 59236.75282 50751.14204 54897.18634 59665.42879 63976.79498 54160.99987 39694.87165 65231.96837 56315.31202 28626.26326 30583.15248 35942.11295 47616.1283 32583.60386 50783.69541 34714.03055 30782.83505 25882.99747 Tetranor-PGF1alpha 729.2730758 501.4161676 236.5552244 595.2686098 376.0345165 321.3267609 385.0930084 545.9274746 3344.774511 3481.962389 5399.79587 4641.050562 4832.108644 5726.719437 4423.733099 1708.557893 9916.529672 9586.492367 1297.129181 1680.950859 766.6095585 688.5722977 1278.396557 1119.700594 1022.39727 1406.01 1188.843111 14740.48136 11093.26305 12766.93701 18875.67789 9400.561211 7439.713549 6276.591945 6258.382024 8448.590872 849.4523758 245.5571317 175.1595367 1122.177603 587.5752875 807.4792895 1430.017704 564.0567569 1473.162913 529.1064915 907.2129699 457.8180525 389.1223193 1078.465503 3101.042845 304.8127802 8659.456048 1043.710542 17-phenyl-trinor-PGF2alpha 3393.401956 13087.64087 2095.499041 2765.714488 1793.119216 3203.852292 2593.728835 4499.673916 11563.42831 51304.75927 71530.82274 59104.70398 55361.84975 150763.3595 46390.51931 60370.3516 95582.11844 114668.392 5133.776426 2776.55536 5050.248319 2750.836252 1875.621903 3261.909996 4304.4247 5277.512134 3610.390602 32345.14218 66462.26455 97147.79247 33266.08587 165583.1544 68631.15083 39207.12696 25676.32275 83822.5739 2708.862008 4722.078044 2879.750477 2261.53765 3877.472994 3340.012085 2035.121264 5038.91764 3286.712281 1868.181707 5422.762719 4380.099853 7324.522077 9793.062118 85217.15587 3176.101629 39616.83408 3233.453175 3-Methoxy-4-hydroxyphenylglycol glucuronide 279.6955642 147.8461475 4.07813e-08 342.0916498 4.07813e-08 230.4971677 787.0095531 4.07813e-08 493.9756212 11632.41127 8355.693941 13088.90572 7252.585541 8206.965918 9377.398933 4836.140225 7852.817799 13475.17897 509.2712551 1475.330825 237.8273219 154.2854174 274.4693633 527.1806675 923.3252729 688.2896194 950.7902931 1426.691145 12043.6311 12635.25816 5717.949811 21821.0381 8238.307947 1478.378524 3933.221329 10847.74073 236.961632 1527.719144 213.5421079 489.5419413 701.1885922 974.4908355 680.8364129 166.6246064 922.9702522 4.07813e-08 489.1842988 4.07813e-08 4.07813e-08 4.07813e-08 8634.011973 141.2163624 18878.42779 411.7078643 PGF2alpha-11-acetate 176303.8462 169903.2551 161790.8522 165759.7091 182694.2606 182785.2683 186322.2051 138961.8837 157359.6651 80645.93775 83108.06116 62768.46832 92745.2751 75223.14783 66615.48806 31453.20896 43476.08769 66921.15022 325646.2559 334901.3834 280290.5411 289356.3007 325043.1759 306748.1496 275924.8671 313827.577 309979.4732 62030.85669 97696.35715 64096.45852 58377.80378 120929.771 66696.57441 83129.33572 64029.33224 47609.04804 229111.1643 311893.3816 268776.6084 276210.8168 262193.9127 290612.6665 267891.0641 300163.2996 402994.206 287149.1972 249569.2351 268101.0613 199339.2224 168396.1436 110873.0275 255965.642 82523.82635 223125.726 6-Hydroxynicotinic acid 7843.431046 7825.230842 10549.21797 15875.97275 10286.08705 14774.51705 10017.03161 9723.447721 21268.7981 3789.177498 3250.508761 4126.12099 3579.340116 3874.342948 3013.618116 4288.147306 4210.721521 4218.690546 8236.124514 5674.652472 7579.351751 4676.401825 13212.82783 10710.89972 6852.727561 5493.203753 13976.07129 2758.943769 3693.948184 5101.220797 3389.59224 4471.479191 4387.226155 3666.107144 4559.539116 4396.600929 5566.855425 5877.276027 6013.289652 16158.02402 10138.34685 7927.261406 17770.20439 7065.43938 8240.945251 23725.60064 6796.090254 10044.52377 8759.867459 11782.65467 4377.673045 12430.19203 3692.076689 12820.74872 Glycochenodeoxycholic acid 5716.044482 3047.719451 21826.21737 2056.867252 10216.2446 31187.71205 10114.13923 7673.875668 10596.13947 78.4684208 44.29471315 571.7824984 60.69310826 1312.691264 1629.59559 208.0306634 7598.047375 4443.786489 21044.3114 54406.03856 46013.29637 62758.4072 55270.61602 135464.9932 52832.4424 8299.052614 10637.38196 616.5912757 120.1134297 305.8921876 588.9760561 290.6495908 12.62048787 507.2463862 2607.847491 13.2567608 6403.154684 15962.55824 19541.28799 58736.87495 45460.89577 57809.16012 102252.1291 16774.74252 9181.688894 91838.34082 48760.61862 41747.5964 14050.71006 17203.93497 247.8802924 24290.58566 273.7068227 17280.96665 4-Hydroxy-3-nitrosobenzamide 6850.174582 8860.374901 7271.688667 10004.22179 20581.62858 3991.275987 2193.932586 5388.452258 26058.67933 8333.94954 977.6205865 12831.57692 7151.65579 25968.81115 1000.536836 1612.460163 1180.605058 9996.106612 149033.9447 69169.37065 5210.796239 2350.132669 1709.441863 2710.655354 15054.09641 2631.100072 2968.153901 1277.355972 7047.908936 1388.624472 2677.405832 2243.17297 1364.512169 11555.66287 1439.301931 10676.24058 2347.843434 4293.737419 1781.136239 7010.936886 2143.329471 3082.873165 1771.158944 3196.485336 1780.066747 8934.280973 16966.74243 4361.954595 7201.423908 6980.595833 2671.181104 10437.52269 7206.224974 7547.407761 Fasoracetam 9610.191672 8064.330967 11839.65996 7355.054689 10853.3837 10413.78304 9527.578651 11594.55514 8679.324342 785.176795 854.9650047 899.4800421 866.3019267 818.6837027 952.3356186 253.2631748 280.5145648 973.9137058 34860.87794 26903.94367 24838.52516 21403.34224 28441.58518 30012.99015 28908.83233 42721.37819 43046.32403 855.7196335 1038.10811 526.2201668 762.7243575 1494.849658 975.2882937 1247.08844 541.3837475 401.5490699 19162.74322 18833.99155 21082.27919 27812.77368 23407.47505 27728.86194 29066.28496 45590.56999 26225.28246 32926.26891 19757.73304 21905.4624 21953.83717 21697.18593 1372.797595 25447.12907 963.4416754 19870.05878 Enokipodin D 31702.48472 20556.68864 29974.29893 28737.10367 37485.70437 28493.59186 43570.64315 36768.61895 29918.4031 4031.35993 18080.01562 3395.753762 17085.18687 9755.538521 3102.675829 4550.072557 5330.398114 31730.35871 38566.56525 79303.54372 16338.18481 40467.00494 82345.42414 89562.33269 68522.59071 56913.74971 80403.63848 4060.281277 9266.200815 15257.23554 7511.541698 17737.86556 14048.35782 7313.861453 2923.275292 8983.267634 33514.35456 49007.80586 15723.07944 39846.09016 51294.27493 61324.26049 82645.46245 61937.03048 70548.48284 61334.2589 48568.88709 33454.07524 18903.75486 13411.80152 7760.621049 26327.82516 1605.707828 61505.90787 N-Benzoyl-D-arginine 84843.16549 71613.07387 52045.88554 30903.07256 40523.32851 54808.69805 45199.26022 88185.32488 78272.68118 60565.43544 49595.81014 23471.41528 62041.12047 19730.41776 32204.09844 12101.65057 30509.10835 46865.42599 114704.8522 85990.47359 92848.88169 82226.76419 90481.60369 44325.5572 96589.2171 114243.2197 109896.3564 35448.02359 37701.76416 22336.59729 30451.39697 43104.02054 27534.11074 51064.45181 16605.82631 17484.55656 80776.80832 77743.35735 76399.73207 85603.15868 81000.57321 94484.30727 45667.15379 99244.7058 153608.2362 57038.40347 42909.92725 45721.64309 62279.18727 73176.9391 48749.94222 66251.8161 37435.43767 42656.56145 Cinnamyl isovalerate 22873.16961 14789.1402 28866.64311 27432.62784 34695.3563 29527.7178 29945.92121 28956.21826 20435.63137 192.0970638 4.07813e-08 179.4220349 52.44292427 256.8520643 134.6472574 454.0924541 288.5633893 161.1059661 73493.02597 77983.22082 34391.58781 71442.99078 80084.36581 67972.259 73537.35696 89285.92361 79177.42498 345.4252604 4.07813e-08 485.1773911 129.6724461 77.30060086 4.07813e-08 83.28849753 348.225777 581.2340625 43290.16733 53503.97311 27458.44881 57302.49504 83435.8516 73475.26782 72090.64938 81598.33107 108030.2878 51914.37702 38028.2789 41556.57433 33348.98911 19751.64439 574.9407328 36223.23031 86.33668742 46082.87792 Diethyl L-malate 4.07813e-08 70.75141748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 134.9299415 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 191.8442429 4.07813e-08 911.8455223 4.07813e-08 2329.799235 3893.150013 40840.40258 1001.14411 1309.141709 1849.007536 11093.34715 173.6847833 4.07813e-08 71.45746252 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181.1790049 242.7039829 4.07813e-08 32847.24314 9708.374405 6338.547365 3213.902733 27261.66294 1240.510582 1148.722444 5640.116052 268.0152623 4.07813e-08 161.7747945 4.07813e-08 496.4271474 4.07813e-08 4.07813e-08 54.90137733 4.07813e-08 imidaprilat 19456.73085 33736.2318 11863.84614 16714.91907 9450.842263 18130.38421 17682.26588 26435.34406 38569.24596 48353.77293 45177.04912 38865.69873 48347.85494 26954.81886 30776.78273 24627.37565 28840.90549 37366.13141 8293.417125 6449.865382 9199.335643 5506.499884 12124.97568 4579.755383 5606.746248 16325.21777 7409.877015 31216.82111 35390.34807 37795.62044 26810.45774 40874.71271 33331.14366 33000.7181 26440.61742 34238.47502 15568.57802 7272.34668 10859.97432 5472.911084 4900.115105 12791.1289 3639.718285 15719.99099 9682.656065 5934.399438 9251.891705 9907.104257 14833.31984 32402.88722 36464.31647 14240.63187 33870.30313 10209.73084 6-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 5243.949888 4346.626787 4957.060738 1342.061762 1765.187604 6318.510043 4616.923658 2115.421047 5016.464632 2104.025585 62.6123495 611.101314 3366.394279 856.0434774 4056.041226 295.0914277 1537.289396 808.0664978 9108.203162 14535.95316 8154.783574 2663.087145 2637.304832 18173.67004 3902.71388 20729.18466 4468.142351 2541.299182 2635.075103 2298.634155 1623.590903 3456.851222 4751.383758 6865.845777 3675.912782 2472.525529 816.7780326 3599.753963 2611.979277 2255.368121 1705.184266 1178.475245 3971.640623 12821.8137 3396.05977 2479.471618 2573.766828 3019.913131 869.0189507 402.0391511 4367.696968 1695.542826 4.07813e-08 2459.428824 10E-Pentadecen-6,8-diynoic acid 15808.2313 9946.679091 16516.92984 16670.16236 21777.60706 17443.70915 17957.58861 19915.41985 15523.28479 337.1303412 74.38678486 384.5369022 397.7115616 80.13646473 419.7638648 85.34386272 4.07813e-08 4.07813e-08 37561.51297 44618.59029 20315.36397 33227.53368 49037.85956 44803.63052 37367.15609 46436.29636 46011.00828 171.5329583 110.0843589 331.2043102 249.6769249 787.4594141 599.9011746 286.5437769 81.61727749 164.5770584 22919.60884 31461.22722 15563.91004 33020.71642 42653.65727 41896.62291 42177.65199 40545.01303 58934.26378 33961.84929 23041.7567 24107.1333 18199.25248 11092.39967 191.0081301 23289.8606 4.07813e-08 30616.32234 N-Acetoxymethylflindersine 9.949272905 4.07813e-08 199.5700159 12.63023821 4.07813e-08 304.3960501 303.2468605 386.8753856 1465.699529 11221.9778 15523.84543 11802.60177 7181.100087 27405.50657 17938.66905 34214.98367 57531.83297 6138.315449 1021.295068 1374.238587 646.8707337 146.9647588 1993.846155 473.7873476 910.7025055 547.9255786 1192.220879 5015.884696 5018.979698 12074.94076 2686.5441 11414.6004 4254.858998 2202.759781 17702.62885 8755.111252 572.6051232 207.7649378 333.3979951 435.498584 169.182047 1256.907215 1145.107724 218.0355114 676.112604 840.9390401 700.9025811 148.1654461 105.7711297 135.7126438 2995.339684 427.8957623 1634.970076 423.5730426 2-Hydroxy-7,8-dehydrograndiflorone 4744.312279 2605.923927 4298.73865 3113.996095 5814.284622 3474.237439 10802.56094 5869.717727 4327.196885 2232.052226 1633.356692 105.2892422 1700.211126 317.3765495 1515.450792 216.4691777 2694.422773 694.6495992 5167.883337 21209.07892 929.2635664 4608.751407 24106.52249 36151.21246 17578.43945 5362.33347 19006.36995 1819.41451 2469.722934 3664.19771 812.7245024 2467.116718 670.9670489 2424.917779 1579.506393 678.5270654 8878.746127 10410.64993 1986.667723 6545.02061 8069.903687 10311.72659 36397.71131 7571.786421 9016.710812 21072.66316 17947.03726 6523.728144 2708.62386 745.7570949 3885.044593 4581.331529 1706.953223 27740.88755 PG(10:0/10:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4598.361191 3472.139344 27407.12386 2889.893606 14388.55424 25491.18675 20322.33785 169435.3908 26300.05716 4.07813e-08 4.07813e-08 1250.486094 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 58180.91565 25999.54366 8156.76912 26050.70253 5033.773206 4709.805748 19694.54977 56213.87435 6815.168476 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.657698491 4.07813e-08 2384.323163 4.07813e-08 269.9161605 206.5122577 6448.501753 4.07813e-08 6306.383837 4.07813e-08 (S)-Annocherine A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16002.46276 18219.40338 21948.10176 13317.83664 39603.80289 14904.65484 44647.78804 40101.33265 14818.30171 4.07813e-08 96.54058942 4.07813e-08 80.55792189 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16639.98744 11567.77623 38901.4708 11706.89141 28959.73987 16444.08844 10038.60774 27230.08774 41789.31375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72.45520982 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13237.05186 4.07813e-08 10607.2903 4.07813e-08 Theonellasterol B 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81458.66664 71179.04354 49234.48032 58842.32789 60708.91253 45482.85189 27201.69077 75014.84386 86345.27467 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35325.24252 46987.88197 64100.75266 45716.21234 65349.37673 38833.73444 35065.66928 35445.75034 43671.81979 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45429.53973 4.07813e-08 95683.45718 4.07813e-08 9-pentadecen-1-ol 27310.49712 28896.46422 30500.39321 25343.19496 25195.88791 20547.58461 21877.59352 24470.27075 27157.17878 17720.54529 16260.64937 14643.30257 15272.48595 14547.73927 12516.70013 22790.32443 13183.30458 18409.23125 18839.32517 18467.6518 17656.83759 16189.79974 16631.59781 15996.22701 21410.14645 22435.64792 21585.5631 15237.869 17871.65684 17412.71151 17811.40659 14567.45604 16943.94044 15659.31349 19444.23242 19548.51724 21368.34096 17580.13731 18796.69408 16067.45416 16887.97721 18637.61934 19442.86156 22793.11292 20413.26575 22090.54414 18202.75479 17588.18305 21929.82698 19737.63138 15198.88499 21417.68545 20373.9277 24874.91084 4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose 623379.9456 755397.3161 780474.9187 825334.957 687767.7149 767895.3478 808414.8669 1142869.494 1051215.155 213337.5251 241047.6571 149088.4119 194854.0301 156139.6191 192398.6552 200507.2309 111832.1952 120122.7726 259905.3112 274734.352 237319.9974 170847.0904 176699.3591 198840.6074 227729.223 233194.9701 345596.9111 259574.5695 177889.7115 349140.0021 379398.9788 242839.0035 193574.3423 452121.8562 207688.8848 180274.2385 235260.6571 352622.0209 404717.9683 340424.8151 256682.5183 167493.6555 151381.9224 307488.2158 73297.88447 312874.0908 327627.488 461121.2045 536089.5503 594659.764 138993.2792 576700.9389 310117.7282 625587.6679 1-Methylhypoxanthine 1396.241314 1352.051022 756.0862024 1513.037509 383.7673931 1241.464255 1233.063211 1111.684388 705.8867343 10245.17618 10132.98685 5235.999558 10142.7849 9102.714449 6590.86135 15791.44175 20714.51479 11589.58662 53.71760894 114.7734582 877.5595785 290.4436018 116.0721352 181.4665709 503.9481651 4.07813e-08 217.7958357 11203.58512 15778.12739 27973.21025 19098.3015 15591.38649 20475.13241 43882.38071 22450.48384 33612.16181 8814.859254 119.2104373 1251.769291 99.08417233 407.8457416 316.056868 149.5845597 117.1707269 79.38651338 1072.422124 784.9516855 283.0523772 1456.412341 2103.141727 8760.954009 1290.62089 14036.40766 2095.982592 2-Hydroxyglutaric acid lactone 21498.0051 24788.20625 25035.72677 20682.84945 22820.29816 13439.62498 16230.44332 20406.06735 19635.78266 14576.60009 13080.11414 14047.1534 17565.00298 11607.41425 13041.55972 19937.42487 13911.76958 18726.14219 17869.76766 13612.0666 13576.29837 16631.1554 13909.60219 12778.6421 14632.34217 17669.72326 18329.9225 10564.66233 14486.41352 16521.44611 15741.41915 16134.23774 14273.95897 11449.04372 16900.44297 16522.83361 12503.53474 13231.07429 11977.92429 10306.76259 10859.1796 11630.85662 14786.13168 17245.52845 16373.42198 12979.81053 12080.79394 12017.67474 11955.27249 16307.69407 12607.18727 18082.63283 12904.11371 17742.03374 Ouabain 447.4058313 4123.073755 452.9719221 2050.945063 205.7270285 4955.920081 4.07813e-08 5094.02323 5519.603689 7337.324664 8351.404499 8154.278713 9019.286405 16278.80289 1834.834256 574.6146724 185.4324078 4.07813e-08 161.4764639 4.07813e-08 442.0609 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19690.93833 40.60248419 4.07813e-08 420.8934058 4.07813e-08 2238.480603 114.2814869 1201.625546 2076.451256 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 381.7047725 9695.442435 3831.226685 4127.923944 22968.09713 4831.421867 3559.808284 131329.575 9937.478776 (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 67421.82402 123721.7163 34086.43742 55725.33727 24142.87873 55825.95804 69827.69987 104545.8006 158079.3385 101055.0783 135363.7362 96454.80915 209898.3401 134220.6363 49082.97793 36874.80165 68975.57573 50342.07169 8091.807291 6290.867048 23976.23038 4573.832597 7869.024156 7447.566513 9452.908847 11403.17293 12598.9631 90747.22553 44594.10541 33119.86357 51034.13349 53546.24448 101272.7434 43566.34941 50002.03696 42480.65763 22135.11561 13206.74798 24033.55788 15459.12247 4560.610731 5500.769584 3806.985631 9417.934938 6588.853317 6031.854599 81943.5696 43353.17822 86005.09327 423514.6771 56367.08234 51272.07084 398130.3388 43722.73199 Uniconazole P 1150.351943 2368.689224 595.8114635 408.6792405 787.0153694 373.6797382 837.6061718 280.4238031 187.8675179 3101.249987 670.6145975 684.5163041 4119.449101 553.5232577 43130.66112 1103.416654 4044.268733 890.862166 122.9780005 133.7483471 46.89522594 301.3320462 4.07813e-08 550.2686893 55.38655288 4.07813e-08 4.07813e-08 14795.3561 1717.898913 3031.13023 6434.573 3810.276751 10750.90463 8929.092799 9448.200378 3676.288454 1012.351772 4.07813e-08 90.20610112 4.07813e-08 407.6949341 658.1308688 107.9995831 109.7436929 247.9659136 274.7172309 108.8733686 245.509828 609.1609675 1690.795506 5989.693419 690.5559207 1755.046852 761.1663927 Lauric acid 41724.03104 42982.45928 41897.4742 45710.42067 42020.45493 37864.66976 38787.261 39084.01051 37738.56977 25074.74756 22476.36748 24145.99427 22127.47359 26482.63763 23733.51205 29123.93013 22433.98233 27453.57419 27914.10082 26599.16809 25450.55603 26205.06258 26436.87285 25343.85046 26479.88118 29250.37437 28337.99883 21357.44409 28674.74628 28914.88595 37341.56841 24018.27127 24857.11462 22861.28255 33330.66584 28926.85215 36699.11584 26818.32055 30267.45192 24470.58142 23494.16293 25186.13029 26994.59682 31683.12204 25546.41233 30228.36207 30639.70491 34430.74507 28322.47028 27819.23543 21266.93006 26963.56452 27752.53832 48864.00404 2-amino-6-hydroxyhexanoic acid 9438.031986 7797.644126 8300.186924 7939.310115 9695.924359 8217.397918 8692.957406 10089.47398 8024.269597 3669.331548 3430.460911 3758.448601 4084.272183 3040.742649 3591.885722 2063.479493 1845.163816 4162.579485 15367.88375 14834.93526 13052.39488 13443.95656 16440.21884 15468.50961 14589.26953 18477.39714 17165.95192 4097.224366 4105.639567 3267.476516 3776.862681 5004.538336 4334.595794 5311.399149 2315.190298 2593.329167 12236.19528 14071.35908 13125.31941 14905.9858 14520.43829 15105.96871 14313.13298 17968.33747 23205.38564 10871.39237 9004.762897 11037.91988 9899.430794 10121.35457 5496.534847 11585.21968 4467.464137 11528.23894 AM2201 N-(4-hydroxypentyl) metabolite 10993.99502 40592.33565 8568.26884 11948.49999 7596.095259 9692.414982 21021.76205 32127.94775 43959.5824 106413.7457 100278.2297 78613.16537 110163.9864 70096.36353 116528.5062 67142.82968 99756.60551 98511.24423 4994.65077 4232.424223 6094.993004 3256.891945 4677.505457 4319.529006 5089.192368 5181.211982 3297.85835 100447.9051 94826.03084 72517.86102 84502.04677 88591.94039 78098.90385 100352.2377 58003.62393 89458.99297 8079.611805 6797.133746 5677.295191 4695.240586 3505.179144 3723.889143 2709.635561 3666.272334 5278.173744 4767.288891 13270.58106 7858.745291 19330.79261 46145.44017 85698.53052 11993.66591 80490.20181 9102.052041 3-methoxy Limaprost 67384.97231 69637.23801 67272.05482 85580.53309 79063.75319 65153.88773 73451.35025 73582.02788 76702.27272 63794.26789 66654.68352 56601.40315 66474.67996 71791.59102 50570.69574 87530.33554 68160.74534 73460.87702 62993.13853 76400.3825 44882.94844 53929.89722 47995.74918 54875.79309 60112.94971 82583.64266 60446.99733 51953.67625 77675.50784 80365.01465 66777.0365 66589.51293 56560.10188 52611.94317 65880.5871 64371.43581 61430.02978 55805.14806 53473.43826 48827.24573 53608.09249 54248.36013 68350.97489 70347.22835 50864.32943 79787.65088 67638.16342 69589.21108 53020.80813 45654.40077 61279.28323 58409.76306 83580.92081 68921.50917 PC(20:2(11Z,14Z)/0:0) 4438.897011 3205.239486 4926.016199 5.342573984 293.2032193 5351.229867 232.6379796 29211.04608 34988.6794 1940.08139 3442.248705 53188.52625 1085.766161 15626.99556 75832.2394 18591.41164 115169.0361 1891.967176 5577.213542 6368.512121 11087.04663 9709.030676 5984.931088 0.484609426 1029.971409 4.07813e-08 105.0721319 39368.8576 39354.48562 13.26481169 23890.6796 4.07813e-08 657.5828747 107256.689 68218.12096 4333.704474 10854.49673 1683.586215 7594.704559 15204.19676 3792.604826 5646.492463 4.07813e-08 4.07813e-08 4.07813e-08 13467.05052 20704.55735 16113.54589 11573.66791 3949.112953 4309.860507 17242.84787 11674.06418 892.44152 1-(1-Pyrrolidinyl)-2-propanone 97582.39259 160979.9171 49160.90887 48875.32621 39634.70695 34781.2206 65685.547 122022.0538 90741.4077 107311.8379 126668.2732 93573.67407 127464.1656 37535.62286 102075.1113 28615.35381 161337.9685 360943.0776 21425.21852 28053.19598 48347.48457 29149.66464 15917.25594 25710.32713 99585.08124 2063998.42 32588.52472 123950.3137 152752.866 163581.7595 157017.8299 196220.7768 131950.6161 100549.3358 54847.16007 135081.7671 163419.2489 42662.50263 37116.69687 26506.95374 18338.64652 30984.18009 26954.27206 2190186.803 82712.06279 19153.53747 32819.18192 31286.33633 63407.46858 106599.4497 209144.1443 47119.78404 177062.7756 43575.99877 19-oxo-eicosanoic acid 40044.81852 38555.48811 35936.29575 37043.0828 36337.54477 28462.07432 29459.3334 40379.35258 38483.88205 29418.91728 26309.56152 24857.91102 25772.75907 22335.53028 18912.15543 36759.36949 25719.12225 32616.13173 24670.36364 23836.02985 23785.07809 22635.07553 21802.03997 23158.62157 30836.25193 36404.09915 31498.19034 25122.91113 28526.12691 27737.98226 29854.77555 24347.86958 30516.29266 27985.46436 33498.43288 32923.68662 27934.83276 26782.32612 23234.3004 20858.89635 24322.54587 26892.10607 26830.32844 33456.39022 29321.55297 22886.35151 23499.84257 21771.95571 33393.55872 32480.13182 29615.0323 28541.07829 33857.83533 33150.0846 N-(5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine 36043.05247 97757.97634 199392.6614 158814.4825 152170.1247 272260.6229 218649.9554 213329.3147 196515.5398 41803.01467 6504.346143 110826.6012 37099.70153 98124.25461 114377.5217 51083.02232 192791.5992 70622.79963 246835.0863 207148.5707 205615.6113 138991.7713 135479.4633 165287.7848 143551.5428 122727.3741 40390.09089 28188.30305 68148.88451 40108.54072 75476.87789 28428.7944 23705.73356 82559.24277 112919.7586 87252.71286 183807.7266 73929.71348 160596.1394 113250.6187 155721.5495 106780.5441 116472.4357 98077.29778 31154.08658 494827.8203 407277.2066 286573.9265 158936.1336 89586.01834 37522.26412 268975.8398 24942.31359 200165.2702 19-dimethylarsinoyl-nonadecanoic acid 6681.882944 36194.26527 2008.80967 4324.541502 783.3399988 3031.933445 3670.372012 7699.94064 21539.27735 32559.29053 53373.03005 37511.42351 58715.83674 83798.30673 9183.516933 5438.894045 15012.88459 4353.353919 58.28496221 325.3965616 1324.443144 145.9670879 793.5396736 376.3967765 4.07813e-08 294.7264307 265.5105044 40312.31942 6141.815007 3817.71138 9254.121382 5532.252618 36270.43276 4879.151632 15790.93307 23470.15007 142.9219983 515.963825 957.9225386 910.6333659 899.4351634 213.9860903 321.4503788 868.9429802 663.9322589 662.5518284 27542.98369 7045.55132 24664.66023 119911.0917 8529.162517 3858.751362 138243.537 20700.96897 1-Hydroxy-3-methoxy-10-methylacridone 43320.77124 24454.94807 44412.85105 34239.14249 32301.86863 69925.64927 54949.82972 35220.75833 34034.9261 21172.58987 14878.41327 17495.27346 18428.98104 10731.50315 24794.82696 16127.79634 14507.11938 14636.00349 67679.65381 38754.52451 40471.25692 52956.17045 47861.6869 61386.35966 51445.16799 58902.57763 52016.20369 25801.18067 23984.05872 17205.66585 57140.14744 14229.44797 10774.77565 34577.31926 13737.95451 48291.22228 81128.49956 45870.04619 58125.70506 40452.82569 44686.6053 53746.08521 64389.34945 61959.18327 39084.7503 146012.5024 110089.1662 73467.02 111629.4841 58970.21996 22495.53531 50471.47079 21578.26096 96939.51602 Capsiate 60.24364528 1658.435356 4.07813e-08 4.07813e-08 4.07813e-08 1061.485584 6939.074352 4.07813e-08 75.72962445 644.8594778 368.1153964 303.2063762 917.2957527 292.9820618 81541.06504 4.07813e-08 501.3641776 138.7760741 105.826924 135.8189237 107.3471259 183.6959798 4.07813e-08 174.8068223 4.07813e-08 4.07813e-08 4.07813e-08 667.953177 441.9845944 396.9150726 4.07813e-08 857.2261636 20924.61584 668.6318679 262.9128184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 395.714411 4.07813e-08 129.283631 101.8499136 90.97100315 100.272361 0.285393956 4.07813e-08 4.07813e-08 1.157507822 91.07420316 33689.05663 0.338754124 1889.097995 0.521647603 3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid 39575.46212 90692.0977 12038.65624 20626.10518 8744.693243 31899.09086 12112.06675 21588.41951 39795.44161 24561.51862 8223.585713 70074.86743 23981.17763 102055.3214 118884.7727 40361.13624 93468.22778 72898.9823 3076.615983 4208.544157 9210.965364 18486.79755 4594.197305 15960.94667 5712.124368 645.307269 4915.692278 31569.02013 33636.69257 13102.83166 105824.2165 36277.11824 15341.06163 64320.07061 73553.46495 44394.65028 2474.403109 1012.111903 4968.532573 9546.95236 15515.52835 2897.175513 12624.37961 558.6212868 737.4156227 13894.46151 205894.0737 45297.83148 79425.84626 45912.58721 46391.12215 52205.90913 17764.44309 51836.11635 L-4-Hydroxy-3-methoxy-a-methylphenylalanine 23498.58413 20212.82055 34598.9566 45076.49871 47386.23409 29113.35549 28922.03589 15623.01171 12150.36107 5935.277404 9161.70077 17359.30826 6330.058399 15571.82646 7037.259082 10732.29493 3070.526395 6307.429577 43974.45121 41807.67794 38006.7207 41057.1817 51912.39426 46731.33613 44263.57435 51749.42111 49180.71865 8395.406138 9464.22648 14064.59207 8138.255648 17006.50924 19123.43364 10711.20982 8829.346559 9735.433302 33414.00777 38584.1336 28918.98717 36000.91922 41886.03895 48187.36487 45137.29466 48797.41531 59784.02502 40388.00229 32462.89794 31561.89045 26468.56877 24962.59622 10337.16967 27400.81452 10424.27416 39976.60114 Citroside A 4418.667808 7491.411699 2951.318738 2393.393175 4111.919708 3390.331866 3762.598441 6628.423437 16739.45557 191272.1394 238134.3689 150827.6809 197500.5241 114116.3582 289517.1405 400637.3069 129851.1598 164161.3997 7841.215351 6140.880744 6431.213789 5242.255736 6635.077214 5622.752897 4501.818233 7227.955702 6180.161156 202524.6153 216376.8988 141333.9289 303656.2358 100943.6096 177677.5064 327094.8946 209592.6275 341247.6401 6136.204652 4103.509047 5061.814714 5521.808052 4993.164568 7979.087152 3920.836269 6092.811635 9584.687552 3344.395798 3927.17305 4731.887446 5419.18011 14990.93362 115980.4222 3779.996717 105589.2861 10582.63146 N-octanoyl-L-Homoserine lactone 25752.03417 24189.99024 28327.40954 33447.89455 40317.79219 24014.703 25653.50131 10598.05742 12414.84372 10735.80278 12101.2745 16462.85562 10631.52161 14882.91919 9808.735937 9827.407481 1978.469608 4990.914586 32172.68266 31467.63433 30018.28605 27540.33668 34095.5975 31335.82859 28588.52 35414.02168 31185.72038 3310.870947 9161.609023 22291.07743 8686.647136 13824.07314 18732.62571 9506.751214 8248.07245 15604.44018 22813.62503 25493.97154 28330.44643 26590.58524 28365.54304 34052.18204 28164.44838 33085.34087 42518.55976 28742.23611 26843.48031 23908.05912 19380.90779 19501.06374 12214.95851 23916.05381 14063.74526 26882.26857 5E-Dodecen-1-ol 14679.71108 15034.75068 14662.96892 14414.43428 14208.65126 12839.31106 13083.74433 12465.86305 14111.33759 8994.356361 9348.67556 9902.636343 9235.713683 11803.18922 9101.665629 10683.6688 5886.08057 10459.54795 8665.888196 9231.59748 9618.236724 9232.398842 9430.148383 9179.957459 9524.171384 11266.53107 10025.02845 6565.714473 11080.9916 11218.40509 12674.01052 9956.97748 9954.855869 8469.394939 7117.405667 11130.3241 11597.41079 9626.238623 10379.00567 8918.359066 8971.339956 8560.885865 8553.621798 11725.78467 9946.63732 12873.94977 11243.54835 12286.09738 10580.54481 10607.4342 7865.943469 9872.156515 11301.69913 13526.03792 Heptadecanoic acid 33934.69585 32037.79095 33046.03592 31180.08342 29325.25712 25990.00378 26402.92323 29184.65136 31520.38285 22092.9465 23072.99998 16900.02925 19738.13678 20120.16123 14720.43784 26521.76216 18615.32857 22178.15384 22047.65093 22815.09078 21721.69512 18920.43555 17712.36326 18822.92148 25475.62014 26170.58889 25070.18219 20339.74623 22724.3476 22709.74223 21854.8808 19467.59107 22358.05795 19174.37963 22887.12048 24981.65677 26399.33667 20336.70184 22180.76094 18230.57822 19376.02735 22672.72089 22102.79806 28009.29081 24198.35403 26119.3555 23613.41014 21008.90195 28930.40603 26019.35444 17672.05707 24576.98223 25164.21488 29748.70623 3-Phenylpropionylglycine 26882.67184 25624.42801 33346.95032 43196.34103 22195.65467 18717.80045 16914.04552 13737.53479 24786.05173 22699.72033 22701.35816 30637.71009 26852.33528 21497.93005 13002.31468 17887.94871 7589.799448 13442.51317 40718.67499 12238.83385 93509.9606 27871.12714 13918.09428 12354.22176 18744.30747 31357.23911 15733.3663 17754.23768 18987.62237 24519.03096 15913.88077 16965.23662 28838.27855 28707.5984 13765.14613 17943.86116 45593.98798 30168.90112 85105.44288 39952.58589 20718.0144 15811.46948 12441.9697 33687.75437 23082.34411 8249.903211 9337.907431 27900.47392 32229.99504 54545.90561 21605.40879 29263.86589 27256.40019 10317.17625 N1,N8-Diacetylspermidine 59999.48837 43400.62476 51877.77607 50026.05712 60269.84802 54819.45104 45627.12527 34102.46766 96995.65537 18724.59075 18400.06148 34159.04357 19791.37226 25499.92158 13835.23856 8925.855139 12108.48126 14691.77308 120866.9796 88784.69172 87311.55344 38597.68344 51087.82667 75460.56622 61333.91054 98543.59038 171106.4087 39797.11032 34171.08994 66781.71612 30308.05243 38007.5968 35717.85379 42728.45256 28587.95692 27166.31405 66421.76958 126426.4806 79308.9601 69102.59703 46418.04877 42329.16445 85885.99522 143115.322 80950.90359 388167.3309 59644.17761 61436.43958 53527.67696 59155.24068 34326.73753 55503.34827 89449.32762 49032.80531 9,9-dimethoxy-nonanoic acid 187461.0662 151692.2498 137552.1057 116258.4769 111144.3564 119143.0014 141783.4087 122250.2928 123102.2608 66502.5122 47773.98462 52211.38358 72194.289 43173.60487 39704.78256 22637.88694 19713.81975 31215.6714 201465.3448 201668.3095 153391.7406 153979.9452 166961.3376 177582.7614 150169.2147 177869.0504 184899.7517 40399.11561 50603.69485 41456.31119 39332.25771 68947.40228 77344.39149 59997.59266 27920.96737 33569.17511 133875.3425 156486.3882 140436.7168 173098.3547 162195.4553 169200.8316 176611.8644 193809.446 259567.8023 164184.8631 131228.761 139070.9218 124793.7845 123763.5416 58164.17485 125663.7168 45031.22684 140802.0781 Histidinyl-Glycine 3402.84731 5141.30122 1844.698606 3376.401308 1261.894733 1858.870661 3290.438155 2065.370285 1142.045179 446.1139255 257.0996249 691.0219081 416.3609294 693.1055125 344.2506755 745.8107044 1171.322245 1062.931314 466.1036068 474.581051 563.6255839 2328.258526 63.42625345 206.992907 925.9556748 30289.49435 132.1261263 907.076034 832.2306434 1288.383651 741.2030279 1942.639078 1345.727885 377.8656461 958.3954634 917.8209003 5497.298228 1426.704613 1379.594618 123.0119058 1125.281717 1170.958846 369.843375 15964.0177 2544.025417 321.6168218 169.8860377 584.4061357 1470.976434 2813.642005 1308.136638 1491.401249 1176.15036 2138.386314 6-(2,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 3.873377752 4.07813e-08 24.20084634 28.11526089 4.07813e-08 49.37485235 4.07813e-08 4.07813e-08 4.07813e-08 45015.56031 4.07813e-08 4.07813e-08 16.38920506 4.07813e-08 5563.287999 15130.74365 4.07813e-08 123.0458132 95.40599913 105.9427087 74.40785818 101.2376006 49.82977873 105.0722097 27.03963222 49.51985966 30814.31031 4.07813e-08 36521.90225 18.93926698 31438.07654 25181.34413 4.07813e-08 28942.42641 4.07813e-08 47.79437988 48.52941056 4.07813e-08 80.51378877 19.48582179 172.987102 21.29815377 30.33771174 46.62586343 4.07813e-08 4.07813e-08 50.2769994 116.104732 4.07813e-08 4.07813e-08 18.46454635 16071.27437 4.07813e-08 2-(5-Methyl-2-furanyl)-3-piperidinol 180292.5093 167876.3547 163313.2727 157157.9426 161848.3136 125176.806 110265.483 168965.5442 159747.962 96087.81793 90991.3881 88292.22683 115343.3452 86508.48955 88811.84428 137856.6813 100348.9256 114127.6047 133073.2237 123832.4178 118257.1685 117601.229 98519.87431 105033.9455 119038.1717 152620.3143 134050.8056 91478.7747 118243.8686 124653.3698 121523.6052 113982.57 98978.22503 88989.7921 111895.1459 135401.2167 126228.4264 83872.09657 98874.04935 106399.9766 89557.4819 102586.2982 124393.5453 167636.6934 110139.1254 143481.7798 121931.6938 95907.04342 108228.0195 124889.4403 102328.0222 129361.8987 117358.5654 147582.622 Tryptophyl-Glutamate 6062.975833 7104.044188 3994.013888 7491.475108 5415.258322 5422.479958 6774.384677 6909.321123 8856.84139 10620.80122 26130.92097 4291.735075 14741.30079 10267.10603 10295.69305 22634.66449 6804.336507 3709.129608 5808.566843 4651.368711 7855.501429 5326.068067 3674.979206 1916.18916 4651.550808 10790.11927 6042.418873 4848.331679 9117.480829 12571.45659 8266.966195 18660.09866 16744.51118 57038.58125 9989.376767 5413.220219 5356.39211 4416.655397 5870.700491 4428.87633 3168.259441 4367.895993 1962.137188 7791.025097 9691.610855 2036.765316 7748.327168 5672.517167 5851.152955 18667.37382 15237.61355 6475.604513 21597.27811 4074.412253 3-Acetoxyscirpene-4,15-diol 1020.543632 1630.130268 1266.338993 1794.684045 3455.541486 1421.277044 2476.487016 1272.719942 1215.265349 7776.286636 11396.24323 8529.883286 7245.333719 5456.35201 21816.66096 20231.95063 13198.33251 8625.32309 5006.844696 7053.797412 3878.50513 5045.930311 5769.795213 6920.844687 6267.11674 7047.261975 5825.669435 10539.37851 13107.33912 8052.949509 15509.11725 6516.033261 10717.75975 18498.90097 17296.62079 9567.73843 2595.304999 4345.931531 1829.477997 3894.580644 6259.166678 5084.320626 6363.343027 6876.311744 9169.797232 5921.077891 3358.017732 2593.729737 2630.858328 691.198518 6667.641634 1706.548689 5838.718963 4694.398787 (2E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid 128841.1038 71370.34467 72367.52428 46945.27632 67406.71975 36777.27353 54613.37738 58733.99664 38744.85399 240.7501703 564.3533024 380.6658987 196.5829055 260.5299483 3739.111261 539.1850361 445.3594991 887.3196152 21793.24341 34455.37424 39309.31051 17578.682 29443.65031 30769.71673 18318.13442 12836.9225 40755.31993 219.1189707 20.20598791 627.8709125 4.07813e-08 226.2400293 806.2040101 172.600345 87.15206809 397.2186952 17257.76595 39171.00193 35933.45765 45652.19463 42937.38652 30556.93905 32597.21604 14672.46352 17306.41759 33696.23427 32998.67151 19468.55405 19654.65911 22180.63887 461.5425885 20978.8062 449.2268075 19057.38954 Dodecyl glucoside 49578.26363 31821.4306 58397.53355 90877.42819 90268.56489 42016.99173 28568.6262 47598.41933 35461.28286 12778.62166 21258.78735 24036.46191 13652.26625 30943.88694 7733.421372 25765.37129 17858.28705 13641.513 77600.64771 34667.84375 62886.45982 46899.7001 87012.4739 83646.19289 42160.59845 39378.5189 33120.81011 8689.296987 12541.06063 35786.12331 4776.532125 21498.75629 9828.959607 6901.146926 16140.95452 18762.25793 32127.7785 52770.53766 48516.75589 64498.23774 51712.07462 71592.40701 74938.15012 40233.09952 97374.65191 17767.92569 18979.01932 28779.57071 30296.09243 24636.21857 9018.387156 44426.39835 9201.86081 56576.89299 13-hydroxy-9-methoxy-10-oxooctadec-11-enoic acid 24266.02322 14919.5387 18386.92031 155926.2148 32017.73863 25093.15763 28739.88052 8073.465289 23288.28957 3085.727801 4936.054647 4892.542957 3144.310714 6994.75392 4598.163551 2113.715937 10502.75188 6330.965114 36694.83134 22200.39234 16909.07274 110470.1663 49149.40194 34432.0053 30760.8926 6271.80141 16769.63186 2268.898402 6267.91092 6546.287418 5899.486752 6124.759808 2727.003412 4112.432604 5035.590469 1891.773014 38052.51881 18716.29744 20124.71667 57047.70656 86663.01479 46766.22329 31251.6865 5836.902837 7458.031469 32819.37026 31239.7494 60213.35009 36989.87962 20824.72009 5575.92477 56158.6341 4975.581932 10269.91137 Sphingosine-1-phosphate 18431.90471 9017.822239 9688.134593 8296.77029 6661.21438 11423.21326 14063.89554 20765.04318 22097.23657 181.4321928 139.4251667 4.07813e-08 995.2292691 892.3162214 918.6710317 329.8261586 841.811241 1110.195461 18239.57272 15318.8539 8062.932707 10604.9916 13393.85906 16519.23664 18294.92941 26574.35989 131071.7272 1058.301072 722.7780079 843.0370375 1875.70261 2392.078639 3066.889701 2572.571742 1428.572689 1315.598605 16436.44168 15534.63174 11314.38322 8742.055231 16494.63317 12721.26571 17706.69152 23495.08085 40670.02332 10733.90217 5739.576454 12222.60309 13779.50333 11153.10949 3219.255565 11078.79932 275.0897203 11869.90341 Tobramycin 11036.8404 24944.38997 6501.585753 10122.29388 3038.634027 10211.02244 14388.84953 30189.04133 41165.23702 35382.37628 22648.0184 40933.14528 39811.21893 11926.53697 65582.09648 25347.48522 9577.595283 14526.10695 1712.659607 319.4755609 3815.369919 961.2500467 678.7767636 1609.732916 501.1200872 2920.54353 1450.436364 74236.77625 22386.88749 10726.54202 36866.85993 11202.65747 33109.37271 111042.2472 56485.84124 20251.624 1112.26816 2490.201547 5268.147626 5807.200386 429.2894183 489.557426 1357.309572 1065.320126 4.07813e-08 1336.805908 11301.88486 7276.676342 16417.01474 40561.47755 30223.41437 11568.16659 68473.4762 4975.613456 Neotame 14980.20184 68731.70627 10100.66768 19176.1885 5263.964864 11342.86163 25714.5864 26832.98694 37682.70714 297219.7393 302132.9959 215761.8172 318642.3803 190775.6066 202629.7272 174117.068 155973.112 216800.997 4859.923413 2395.849871 3449.903516 2590.063304 3278.820342 2506.994641 2706.168453 8273.672766 3175.131053 170009.8398 218912.4311 235716.2873 168674.9481 237994.9867 193629.5969 191995.3428 126708.831 183106.1486 11074.13533 3653.915353 4051.317812 4625.893793 3013.055472 4264.911298 3264.125271 11479.08406 3048.817438 3818.296844 3332.209087 7063.090606 17718.90995 56901.76245 282723.8566 12065.71169 228721.0694 16082.9494 Kurilensoside F 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31485.06396 20078.40411 17474.67304 24890.62241 36603.77586 29273.59183 27223.01577 123763.1369 25534.65224 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19573.96846 40584.23233 14719.14275 27134.2195 27645.1016 22647.99468 24789.36629 46671.21168 35045.9096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 125.3477105 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11288.37481 4.07813e-08 2059.674402 4.07813e-08 repaglinide aromatic amine 23905.72134 16078.27834 21638.12803 45048.42881 9887.669034 21594.59488 18049.6098 10181.80473 4248.393592 458.7349396 691.3993134 543.499665 888.3164314 457.2711536 523.2389086 167.6901089 498.5854663 167.144888 4826.213307 10589.45706 7367.657722 60009.42515 6432.818692 4724.842923 28694.25954 5669.645934 5305.00695 448.5850592 613.9723428 1206.928027 448.4088438 1384.250595 205.0214173 798.20096 255.0489953 431.6641322 248273.9064 9545.844903 15977.43437 5733.610266 4791.079054 8995.275404 3972.535955 3964.425548 22321.67908 3238.099462 3178.950672 9628.430744 23787.83419 34509.41928 1486.387505 10257.18894 1059.323836 6496.919062 Asparaginyl-Histidine 249.0269319 208.8708395 555.5190717 1324.386864 872.4175278 669.5336174 474.9942083 3543.208022 97.11094162 6321.080236 12384.45025 15975.20811 11083.35094 14041.79235 9966.341826 7391.109688 26782.29546 9234.403682 688.6124971 950.4014949 3318.295914 497.3555607 7122.172105 549.1496117 300.0645634 663.9755545 630.2514978 12897.71871 5073.523373 12119.76514 2656.881847 16307.80796 5835.577217 232.1543147 19017.40288 4472.443217 195.5287904 477.8714786 1178.756481 619.7887866 1728.441453 1162.765768 1161.768641 412.2618622 656.044219 835.9003505 608.7685598 379.0537845 1153.730651 5454.632589 3997.72206 642.4194456 24736.62787 615.1456322 DL-Dopa 66840.67649 72200.21062 77396.33824 94565.20997 93551.11975 74672.11323 74301.5274 55919.25574 48521.48959 40339.95725 39091.20348 47940.94518 47023.19384 38731.49644 26250.3645 28371.88279 15081.91977 28304.82583 82629.3155 73596.20458 77942.04404 73463.91803 86226.60129 72709.4419 83282.94866 88315.21852 90801.30578 28652.09514 33687.54954 49545.47854 24633.6126 49558.86338 42778.18747 45442.78699 23478.32977 39495.76503 78406.78964 77913.47605 65295.36556 77849.11543 71190.65405 79406.49509 73776.71723 89676.21719 104285.0871 75225.31452 64149.71084 63917.25974 57450.54947 66131.636 44678.95926 61696.08155 37102.37765 71983.9343 1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone 6733.357773 4192.073882 8216.374332 5185.71432 9125.256346 8335.751415 7845.364524 6275.106921 4494.723784 4.07813e-08 120.3507813 4.07813e-08 4.07813e-08 51.01517427 161.664491 201.9003026 63.77284491 4.07813e-08 21953.83644 19865.20169 12295.733 16731.26608 20906.33495 21531.62005 21720.25441 25777.57729 27671.96652 110.5211836 363.0256993 639.8764162 440.8059802 740.8837038 350.3132287 200.9609391 281.8922608 364.1539523 11459.61406 13526.98466 9551.69884 16168.13231 19975.10944 19323.18507 20857.68156 26271.94187 24267.51241 17496.22084 12510.28384 12750.16972 10481.01937 7500.696321 326.8696492 11557.07913 4.07813e-08 13825.61676 Xanthotoxol glucoside 1454.290465 5348.871611 1827.148731 2181.952447 4.07813e-08 4.07813e-08 1129.306856 319.8298234 4.07813e-08 527.1345073 4.07813e-08 4.07813e-08 1269.78003 1883.808714 4439.761581 4.07813e-08 2483.54369 5024.080762 929.4731412 4.07813e-08 1049.750618 2186.896254 4.07813e-08 4.07813e-08 382.2267434 1923.107249 517.8788591 6906.781109 2593.200535 7057.896194 6397.634974 7344.878978 11506.6993 12668.56957 6316.604548 6652.371033 19825.28318 1079.725457 2790.007383 347.4068098 4.07813e-08 326.3600441 4.07813e-08 1158.757461 4.07813e-08 4.07813e-08 4.07813e-08 400.2245744 4880.471871 4706.752614 9803.031789 890.8361755 1532.269483 185.9362526 3-Nonyl-1H-pyrazole 1699.370479 399.9291242 7678.014608 1795.879967 1987.732354 1262.376082 1531.957508 4.07813e-08 302.1660888 735.886759 1069.696366 1644.56111 948.3252956 1633.275481 600.5136358 2526.62135 4.07813e-08 4.07813e-08 5588.814169 5156.810576 2773.57861 2133.231388 6547.959259 4680.803337 3305.950999 3191.985372 5326.641138 993.1051306 4756.9146 4195.841247 2613.841737 1211.074952 4923.940293 2019.395129 948.311764 1017.85702 1482.986357 2971.895264 4979.715039 2138.635234 2302.420629 1381.284406 8688.785395 5976.290725 4615.753152 3067.901761 2811.751743 1823.738256 1840.784186 852.6095075 322.7858309 4568.234032 1379.058044 3943.041142 Tryptophyl-Leucine 12041.55592 14305.31287 10492.08238 6013.370066 8692.183805 16225.11592 11824.01771 28394.91737 23621.67431 4.07813e-08 1.640605113 0.675104612 1.976335201 0.553473009 1.965701459 1.327635717 106.8180528 4.07813e-08 119.4473785 187.1677552 5070.892272 13.67705854 12.14254751 932.9357521 426.3838364 62.89710703 4538.816089 29.80587137 4.07813e-08 2.13222121 1.640505625 1.45369689 20.51853634 0.670570846 0.529026735 2.547531812 51.62822892 1157.846482 7701.640215 1469.776942 1983.298073 26.98711557 1393.670726 206.8512942 1.896656347 3604.381196 454.0329644 2294.149525 1927.887287 7718.369776 16.22846342 1888.613972 3.179043154 1442.42443 Capnine 5876.186701 4197.916793 4957.377203 5300.921395 8167.657007 5303.117163 4634.853242 4809.071473 2922.20228 3691.032005 9128.437485 15980.69024 1866.326231 5226.562806 12555.7605 284513.9058 131868.3686 51079.82688 10337.72748 8240.811075 6266.816728 5518.035324 8187.065353 7465.052055 7366.221954 16810.34214 8033.313722 1768.800755 1943.407213 25834.29195 2267.83059 3105.855488 8921.71407 1296.5313 147163.8786 36419.82601 4208.692891 6151.460592 3891.300797 7527.290887 9715.64873 8816.991393 8589.480351 13846.40572 11544.59453 7790.112334 8373.029224 5651.14135 2125.885849 2578.328993 1412.078165 5692.367488 2306.809655 6012.410603 PI(O-20:0/0:0) 253490.7229 188899.4609 222346.3038 28429.42802 11029.76281 236912.0485 26872.23741 381235.3889 258885.22 12257.03479 8538.690453 232891.6729 10837.6801 130912.905 167162.2975 40879.33675 588090.1167 47376.99475 45666.9469 60394.80319 252427.636 146970.1038 2394.384209 4.07813e-08 3487.578485 4.07813e-08 4.07813e-08 244992.2154 448067.784 24842.41066 138785.0651 149322.4852 24045.10992 213634.0035 386120.1732 44133.7538 313257.2087 12436.00476 242223.8993 68138.63655 20801.07375 17489.40963 4.07813e-08 4.07813e-08 4.07813e-08 260331.1318 616055.4828 252458.9561 342333.5734 172775.055 136984.5414 302787.6687 11659.95249 67179.11133 6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone 37074.43889 37887.90916 44592.61086 55165.5376 50303.58289 36601.86023 37966.74701 28824.60362 25529.93461 14970.29707 15743.30613 17488.95267 16274.7703 16553.01339 10945.91601 14071.27587 5970.420114 8963.048657 54776.75168 50917.14723 50352.71754 57450.95646 59095.19262 50098.17212 58596.97755 70126.18702 56623.53882 13758.53416 18493.63419 14014.40814 16067.49888 15506.19068 22248.19021 21590.51517 11848.58321 13118.39523 40406.26248 54913.71777 44317.38013 54007.40971 61142.95722 56431.20497 51495.16102 63501.51528 79346.02053 41872.39372 42904.79593 37619.83868 43155.60678 32970.76844 15163.23938 37495.02048 15619.96137 51249.87585 Serylasparagine 115056.2802 125198.0754 131163.6531 171710.378 164157.6954 110735.7832 160876.4799 89299.62215 67457.63409 128062.0657 133498.2366 170928.0452 135961.0298 185213.5045 162191.8542 117698.8593 41671.8703 91180.39321 193164.8245 156312.8581 160772.7145 147384.9816 184181.5807 168358.3048 176646.5126 213033.9081 192551.1708 208261.357 213277.2476 164092.9998 153719.9106 279194.2473 231403.5316 257336.122 91350.17261 140068.6562 167366.4158 168172.4686 156223.0776 173584.7627 157686.4921 195099.5967 146494.1713 211989.8249 215906.4161 106015.936 105456.5382 129934.5072 150552.2639 172421.1687 255479.2874 150496.7045 213849.661 165669.7474 Cinnamyl butyrate 10141.1595 7165.543093 13933.16555 12822.4215 17614.61348 11811.7642 14462.17227 13733.32569 9231.433131 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36153.34148 33524.9766 19835.86199 33161.60411 36830.0298 36388.65933 31304.46455 47423.23313 41424.72395 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21061.77989 29527.52732 17579.86167 26836.55081 35932.70232 35624.23548 33141.46529 42427.4625 50551.42155 27658.20073 22378.66683 22128.16427 19692.51098 12813.92653 4.07813e-08 20983.64564 4.07813e-08 24601.89086 Carbinoxamine 318.3232153 1808.539151 364.0761715 647.3499031 385.7404667 242.5279848 443.9305995 343.0097618 198.4353032 39753.24688 22522.82244 2323.778005 44666.78606 3376.835821 13044.57712 1512.825128 2871.729087 2371.562192 1152.578185 952.1428868 1081.465144 1213.269552 1319.723921 1426.758292 1741.468149 889.9143565 1252.2908 2618.367826 2698.3055 3725.721013 4841.86131 4401.809174 2438.719011 2896.811536 2192.851108 5008.510113 842.9611832 822.557089 336.290412 710.2375022 1181.904363 2253.92925 1778.850903 975.4261162 1071.958283 724.1272218 306.417513 873.5238128 195.0097608 576.9112851 3646.34881 540.7496736 5944.007618 852.8151907 Cinegalline 3348.184211 11754.92095 348.6943282 4345.232228 2934.164423 1197.685229 12863.63552 2325.050023 1765.757805 277.5650519 22.03362931 183.5487512 145.427085 42.37169794 22.62263258 37.38264769 411.3354388 115.6910546 340.7743116 1644.137022 847.3344571 23890.64325 966.5487926 704.3490148 11498.43764 292.484571 1468.092545 429.193111 4.07813e-08 147.7750221 41.46277989 548.7751019 141.6907907 9.02162977 54.92115177 157.9409696 25183.21616 691.7893375 961.0856256 208.7289303 1048.400571 1268.356317 1055.415565 288.9956447 1024.633 967.8390467 156.157099 596.9252057 7070.748349 6843.441542 787.0071545 3659.567742 699.8885892 94.54778747 Hydroxyprolyl-Glutamine 420422.0507 415524.1198 553868.5579 685185.0365 773563.3856 529313.4313 736960.4143 296070.3738 256406.8205 433700.5472 382065.2988 478468.6857 456438.1508 446156.1074 463030.7372 303185.9973 187332.4702 295617.7584 519473.4938 528462.3667 434964.3833 458812.7962 612014.6059 621254.329 577730.7178 537677.0666 607053.2169 431729.6971 430812.1772 423654.9681 367273.5368 544919.9175 552819.0151 477062.6691 291363.5567 329863.3863 460682.7801 501461.2725 469008.8967 528900.7407 525985.1121 544622.9399 577664.8026 538331.2285 614289.3335 468289.3242 417116.9235 450075.2417 457945.859 494848.4825 472441.8104 438500.7569 416292.915 640444.8012 1,4'-Bipiperidine-1'-carboxylic acid 35201.21293 19247.71502 21803.57729 18915.76497 36751.98703 30886.75221 26448.80079 14775.39585 55313.42076 3834.821966 5592.419655 11217.36241 5348.246691 10136.2169 3982.729691 2641.174216 4358.741423 7302.987331 100942.276 77673.98127 48481.16362 23115.67962 34144.2966 64101.04056 40526.58163 82800.44749 114368.3201 11468.08116 16744.53866 41120.29806 14146.07686 19740.12334 22592.9514 24480.01902 7761.782107 5691.225002 33277.29186 80105.86891 49733.84889 42504.15697 35215.83051 24790.58584 52396.54191 101635.6497 61493.52458 263771.0286 46419.40543 35366.02027 35449.20041 26427.83501 21027.02384 29524.32235 36938.01502 28085.61262 6,8-dihydroxy-octanoic acid 59339.50978 61226.657 33352.44889 65253.95033 23729.22365 58416.2993 58627.86101 81713.3727 107541.755 6504.819078 6966.234492 9008.518377 6045.881075 6497.058275 8708.49951 9513.09025 6458.424164 6440.780789 7410.972104 10383.09564 23338.54329 8379.160414 11758.74564 14677.19929 13951.82241 4899.79643 14521.94535 3425.779977 8329.588163 6274.173014 5312.659382 9920.01278 5881.381949 12735.02546 6067.532058 10730.17365 12529.85825 15033.71525 30176.6494 23322.16434 7423.695092 6940.608991 12252.43224 3677.665602 7635.126976 7385.529202 38890.95033 25776.94261 46365.71921 63780.46688 7430.356491 29871.08663 9782.983738 16350.28832 4E-nonenoic acid 4214.959531 6073.482091 3237.45004 8340.292474 3520.233882 1202.742395 3721.548403 3495.867128 1473.901352 7422.948624 10705.37644 21619.19887 8080.555107 19099.19912 5694.487647 13006.12424 2137.923745 6064.846795 5569.342554 2883.104847 3948.817101 4112.773261 3899.55454 3745.00505 6156.308012 7399.140588 4632.216739 7604.994993 9937.019207 20496.15971 6159.517034 8704.330632 20902.14364 11196.31131 13316.37156 17622.02192 10029.8852 3651.360545 6434.643019 3472.261454 4334.134977 4386.343079 3238.342531 7211.699977 3490.511741 1906.908812 2184.495413 3444.838901 4836.830099 6674.434116 8686.267835 3819.246686 9288.85527 3613.355511 6-Keto-decanoylcarnitine 77202.82827 109730.6738 273709.2055 352418.6957 461396.9964 330030.3782 283581.3336 15680.32289 18673.40529 20018.82957 70985.08881 199667.9846 21257.44911 188705.4813 95688.07094 191625.0119 46400.80294 17284.63553 815863.2746 853835.1567 686845.8068 791210.1866 733262.9098 993174.8383 736555.3391 610200.8718 778502.8964 121573.388 257827.4829 219321.9735 242427.6371 265096.2191 194629.3103 196048.3918 102521.5883 168711.5531 552159.8428 524014.3905 541755.4562 839387.609 868592.0727 796420.7617 833441.3564 620522.9993 685798.9003 892573.4633 588810.2469 723054.5595 557568.49 400327.9842 312505.7569 638603.7167 214389.3259 565467.38 pre-putrebactin 5739.599991 10566.60296 2284.678579 6928.229501 1541.338432 6048.914352 6260.934285 13430.20712 20373.62142 20339.39508 17096.48644 18850.65026 18254.91213 33724.64358 24438.69817 25367.74468 47749.90785 45244.71709 1783.955411 524.9839234 4741.976037 1043.328705 2261.562686 1858.688487 534.7097051 1377.768566 2084.06861 23056.38914 18721.1368 45517.07594 26940.64626 45062.03474 20616.61754 17456.48159 41878.74284 47723.16689 2338.779819 1578.920007 4354.738905 795.5481463 967.3561466 1582.65465 1222.660852 3160.716174 663.9552563 807.351899 4995.028031 4455.31177 8263.392877 13011.20256 29001.46103 5086.130748 14236.78378 2458.853299 DMG-MINO 3361.106797 17935.57868 913.2121558 1298.627227 4.07813e-08 138.41999 4986.993626 12340.13591 7621.40737 280442.2611 213381.2705 195004.4031 265074.0567 64281.92498 284923.0183 118940.1928 90148.11568 188670.6413 676.3639201 207.0959996 851.3672512 4.07813e-08 47.07868962 4.07813e-08 155.8803079 2713.726188 577.0112399 355403.2458 250393.3013 50200.67035 187519.4675 78686.6314 126118.7662 331573.2141 219553.3738 119537.3621 1204.586527 4.07813e-08 547.4094691 360.2512455 4.07813e-08 4.07813e-08 284.6657775 3391.471228 4.07813e-08 64.98707074 1607.511341 1394.787394 7468.56326 28754.9437 181522.9424 1626.662012 168771.2937 3954.061725 N-(4-aminobutyl)-3-(4-hydroxyphenyl)oxirane-2-carboximidic acid 10411.22115 5298.901046 9161.482661 5080.390563 9135.949978 9475.350306 8159.634593 8625.009586 7132.627575 3654.603729 5048.89133 2005.89456 3323.849556 1211.012421 4294.167752 810.4490231 1016.958527 3101.693251 22784.98512 16466.42261 16767.07486 14261.68177 22260.60584 21524.56259 17481.27618 35846.07707 28717.67626 4148.299383 3326.455576 1994.72167 4402.364893 3777.236071 2241.395259 4506.327819 1578.413501 2367.026604 12051.94252 14587.674 15110.01449 16931.41116 17716.66215 21651.61526 20655.47317 35283.0582 27280.11845 20668.19002 12627.6615 12482.52212 12036.16381 13808.46786 4620.959908 11542.17616 6404.825355 15566.19919 OKODiA-PG 548.6902975 1532.875907 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 456.0022155 4.07813e-08 9568.736861 62005.97699 119227.3797 71572.45262 64249.02205 36445.00929 84245.59378 87826.87665 36869.44925 49582.02021 4.07813e-08 511.3367271 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18903.91476 101536.8171 56712.12705 49056.83168 80747.19932 117592.9235 114662.8686 13973.7921 40267.43077 250.5187182 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 82438.68134 4.07813e-08 9395.452528 4.07813e-08 12-hydroxyjasmonic acid 12-O-beta-D-glucoside 4378.723852 2800.492286 2081.362209 1555.893044 2095.181471 1937.338071 2170.61021 3477.044038 2006.544628 3060.114711 16660.55123 374.6702657 2187.132986 1003.966201 18368.00211 77708.11163 82049.18141 318.2391233 6945.841372 6368.963547 3040.29239 5004.67821 5414.613145 4866.479628 9552.275941 7404.377409 5766.701239 30461.67873 172.0637648 10272.691 948.8072311 32063.41446 18200.8595 1650.84538 19840.65641 1258.555002 5942.153224 4080.801363 4699.062992 4486.520308 6697.44342 7004.06355 5400.079027 5127.640906 5685.852035 5092.901349 3086.762031 4856.749955 3684.079507 2732.295595 4124.338328 4923.80992 14091.70652 3364.502813 2-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,3,5-triol 28303.09777 15447.85132 19593.60547 20165.49063 23282.0408 25925.79452 28425.58341 17765.34223 24990.9128 1706.152565 2167.818247 1153.044912 2034.225838 1990.263521 2074.127956 1756.864438 932.2021134 2762.351392 41865.37822 32077.96498 23624.03945 25071.96289 34784.37416 40201.29302 30362.36999 18917.0505 22017.33728 1622.986915 2583.82917 2629.628528 2085.846412 2952.718047 2139.904426 1764.42584 1362.993764 3358.539823 25087.77587 25100.46959 26423.425 27185.67535 29603.07562 37667.1169 32788.28565 19858.52573 15369.06326 47270.69929 33077.60813 41035.99533 24938.15732 23117.38258 5150.800733 33133.35115 3520.670894 26473.28525 5-(3-Pyridyl)-2-hydroxytetrahydrofuran 8589.140242 6977.863812 10272.38668 6719.737898 9735.057909 8952.739254 9119.757525 9753.976045 8948.00093 959.4573253 1047.559593 765.9949928 1361.085902 739.9758231 1087.346788 525.4719906 695.5881144 1299.176218 19521.3446 20881.84793 14792.82275 14400.38911 21392.89514 20887.02517 17669.24697 25252.43598 27404.89029 1607.30638 1079.110496 1008.794621 991.9998301 1217.249593 1153.754211 1283.327684 1251.457107 900.3300674 12229.13751 14928.34345 12148.68256 20571.96675 16613.54082 19301.24732 20052.07508 24636.24893 19278.37497 27172.45504 15498.70372 15918.20779 14668.97195 16394.95431 1613.735098 19966.24365 1413.867946 16186.50263 2-Methylpropyl 2-aminobenzoate 5971.478713 2986.557163 6146.302677 4017.241694 5459.979648 4913.592317 6342.148816 6975.840736 5092.436874 178.4472033 348.7282303 296.3116833 329.0498208 4.07813e-08 522.750301 185.0209278 125.8677381 257.2525512 11983.18988 18096.80196 6599.700971 10314.94032 18274.16444 20616.45282 18017.00173 18227.97125 26919.49376 402.0780051 496.9385264 450.6965583 423.780814 746.9441746 429.8948663 520.5209212 247.089321 343.6132709 10411.31502 9260.615802 5849.981333 10026.03077 13551.11513 13786.20672 21126.96865 18101.72901 19150.26076 18023.6843 12344.4224 9907.970083 7105.679954 5801.139812 710.7012436 7603.036912 553.3647 13451.62441 Probenecid 8484.465882 6634.302912 7453.90954 7684.268497 10341.26925 5483.135411 20738.16235 12840.48994 11117.44768 100.1164627 333.8350967 923.7481126 337.8308537 1098.078263 206.0821029 4.07813e-08 80.82517089 165.6031095 5524.831983 27108.81439 4688.403295 5707.925048 27432.16065 56596.5919 23491.03275 11714.29938 20881.79695 124.1931714 215.1450295 318.4191066 4.07813e-08 46.02958717 329.2352237 79.07505175 859.2562729 294.2201284 8352.055099 14402.06423 3491.89903 8084.898607 7861.927232 13321.66777 50698.82501 12981.60724 11230.05159 25900.50292 18415.00629 6661.913284 3656.145541 3177.179802 337.8176937 6357.094401 368.7905874 40978.99269 (-)-Euphomine 2441.996597 16892.50568 931.2453125 1798.344736 4.07813e-08 2383.179185 951.7406346 5789.953761 15101.40659 114636.5903 162147.199 62579.33607 331810.0166 208779.0008 7682.857351 4778.534171 25298.10115 6060.491134 283.0672876 5.126361686 1118.445972 209.342912 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 103617.479 5930.130895 6884.905679 9817.004237 2636.779097 67239.36275 5904.317325 22234.9596 16600.53819 405.1296522 540.4201133 1544.612416 4.07813e-08 306.4419792 270.3712652 4.07813e-08 380.1827632 368.0444393 260.8153122 80028.65146 6169.308698 31283.60854 104881.7619 39120.93659 11085.10318 1289161.085 83662.39302 QH(2) 61207.18329 47427.33994 59406.68302 61425.77001 72172.22224 59164.47026 65506.52304 42029.66696 43668.55611 12935.59672 11533.80689 11333.34036 12095.89869 11802.37936 14248.33743 10235.88107 7796.041107 14848.32026 80828.13059 86551.47197 73050.22077 79380.46087 95447.77469 91405.7289 85751.21876 69912.54493 75003.21088 7682.508614 9681.379738 16013.10937 8161.794443 11716.71947 13372.38776 9216.47965 8643.03879 16020.78 59751.12268 72669.17646 60607.74206 72660.42417 82132.61853 96127.21229 85903.30771 72134.67436 85492.7276 91365.98812 67123.98255 76198.43918 49867.37839 49240.00763 18554.41184 70028.75598 14524.28182 65882.79037 Clausarinol 17941.15972 42894.31224 30963.09632 23467.83677 29848.40941 11585.16615 20632.96889 24756.30959 39633.28143 35848.29437 17373.33469 33204.06179 35928.16478 27043.0943 15777.71657 11888.22978 61014.36286 19823.84851 26033.62796 27019.16017 16076.33108 17230.29 46003.76656 20845.09164 32643.51267 42800.11596 18004.25155 25256.98179 30502.19015 27021.67647 40018.78376 21512.40121 27330.84919 20541.78091 25104.06587 34321.29975 21870.83757 11021.27111 26963.00998 15629.17436 12302.90218 18962.64783 19781.02597 25162.87495 28412.39823 20023.13068 9249.875354 8768.757873 9327.653175 15437.38517 22781.71576 25718.8083 12894.9167 18147.95846 Ipurolic acid 7474.997932 4525.866633 4325.878722 3209.901795 6330.90303 9309.23776 8348.856521 7110.035463 4007.134995 4.07813e-08 264.4542524 31.28795268 4.07813e-08 4.07813e-08 4.07813e-08 329.8698982 168.1553029 567.9331468 21631.49534 19041.14605 41428.23923 19926.08717 39913.46293 35993.05712 18808.84862 21312.30392 29801.97407 158.667678 133.1583521 4.07813e-08 115.6899597 34.45455589 94.70506197 4.07813e-08 153.0993718 148.8427646 10116.04394 19341.06787 18722.76894 31352.28172 24107.59272 20786.71181 38104.18129 17218.18002 31734.15275 17217.62886 10317.37173 10541.96288 12592.52805 10286.49806 25.32794572 14755.54931 437.0742004 7247.57695 (E)-2-Tridecene-4,6,8-triyn-1-ol 37381.95881 37336.1283 39974.62291 41040.08887 42856.68955 47792.55112 48686.91001 29228.31774 29504.57878 22336.74009 23909.84951 25640.02424 26994.70849 35793.4973 30721.46789 23680.54837 19239.52341 26220.80632 28930.49414 28275.7231 29975.28972 33766.96214 34953.16598 44963.22929 26180.28715 27815.55256 28695.17341 23294.45098 30904.5867 36232.14285 42470.43575 38612.44176 20698.32257 20150.08284 25362.68436 27839.4048 35453.2869 34500.72792 40012.17316 39285.50289 21558.48601 24233.40143 26700.56663 32229.62435 28099.30324 40741.19759 39071.70918 44763.93946 28418.3136 25059.72807 21247.04453 29351.91659 29032.61711 38430.06928 3Z,13Z-octadecadien-1-ol 671545.2963 653587.2897 617296.4858 643573.6217 622412.8168 529857.6052 575824.7235 587698.7189 601171.2287 482913.0514 490770.2276 387953.9613 430322.2365 538135.1819 349057.4229 619631.8099 477068.6999 494746.816 428887.5821 444754.8356 411978.2066 422623.5429 402757.1726 414706.4738 468159.0739 530458.1757 505136.4416 376638.6961 440960.0592 503145.4259 508301.948 429845.5212 428637.1097 369660.8236 593161.6552 583296.1416 526215.2353 443133.5858 450453.2665 411569.9901 404522.5492 424975.4352 436477.5143 555545.2879 468428.9092 510409.2607 485701.0385 472560.681 489474.7419 480314.6421 363257.9311 497159.4745 532103.7867 586248.5863 2,5-Dibutyl-4-methyloxazole 1849645.917 1818713.974 1751495.647 1804643.846 1770789.898 1558910.65 1638290.24 1709883.379 1727715.085 1178598.358 1113207.879 1099027.632 1147782.015 1230013.991 1034702.956 1450504.325 1105646.399 1298897.565 1194356.555 1245473.326 1191333.916 1250221.693 1199026.569 1239582.602 1385747.571 1537093.479 1405615.052 1062147.751 1238947.843 1388650.139 1382359.342 1239809.491 1250742.499 1093664.393 1315732.142 1377018.34 1458889.238 1287635.141 1314201.445 1204522.775 1159841.97 1263551.799 1279055.962 1527188.925 1363281.022 1478223.167 1400326.384 1357814.138 1444454.62 1420359.208 1065121.426 1372126.079 1368699.563 1620616.897 N-(3-oxo-octanoyl)-homoserine lactone 9391.850974 6686.505289 10878.65815 9947.760477 16759.87149 13876.97469 13797.67774 14204.53953 9510.76086 1459.101567 1025.138033 781.4095706 1431.336028 622.8684427 641.0036153 1197.170957 820.3652991 766.3638527 24769.61606 32246.37833 11154.78905 23525.25236 38031.73648 35249.71029 29821.16662 30181.72039 34569.47313 939.9541972 1263.546211 1095.030749 1204.24863 1175.259912 689.163748 2567.005523 545.8998135 1522.351734 13977.80301 16771.43436 9426.156856 20580.35852 28473.34649 32915.51855 29022.49224 31619.13808 32685.39081 26558.47534 22217.71544 20415.1752 13091.12548 10725.30808 869.8834524 14592.18268 91.2539776 22073.20697 25-Hydroxyvitamin D3-26,23-lactol 12110.31272 15819.2234 15780.60031 20493.6477 18192.71145 14049.47554 23224.47431 14607.66376 12430.38542 4990.600477 4226.076821 7261.23256 5069.784875 3666.806247 7373.087449 3585.118578 1353.093303 11926.36645 12282.62696 16993.64129 15255.7629 20412.14994 25656.64613 22362.77397 29957.45016 13173.26001 27785.41912 3052.299614 2346.240501 7040.85861 1555.963147 2993.456907 4858.457132 6072.94304 2125.234642 4368.141278 8973.057951 16650.78201 12139.60525 28408.59962 21417.72877 19139.80375 20353.9216 11003.42452 19727.47093 58077.23969 18658.62461 24049.3616 12527.08405 11055.23693 4460.539819 15869.23345 2289.055919 21297.04864 Trigoforin 27733.6346 26252.8355 27009.43774 26866.98619 25114.44376 21400.76668 22994.23196 23928.12195 25262.49884 15472.02691 16791.79257 11664.8117 16265.5898 12029.07968 10591.71493 17297.7457 9766.481383 13878.2809 16328.31622 17212.42743 16794.03092 16517.84791 15340.35061 16122.92466 18960.67092 20588.28197 19814.39745 15293.47862 15898.71588 20012.33916 19332.28829 17283.03712 17674.2809 12769.81486 14436.60486 19835.65926 21235.88688 18327.18009 18826.3523 16238.62712 14599.10661 16871.47334 17054.88267 21509.12966 19817.51906 19685.33882 20183.41191 18798.79338 19821.89546 19330.92182 13035.34297 19257.03931 19598.20867 24914.28389 2,3-Diethyl-5-methylpyrazine 5692.71819 3820.168064 6719.916431 6412.671881 3794.669634 2933.262295 4765.610457 3912.79822 3524.456104 1519.583537 1039.599665 687.8383977 1270.750084 545.7966127 706.9466092 310.7370998 195.7529641 582.033421 9581.653828 11992.01594 10444.9775 8739.705679 8959.059817 10057.61192 10839.66605 11775.23175 11311.43174 1233.180888 1102.71608 987.6602953 949.3206481 792.449963 1178.438636 3463.677105 935.3254273 1220.242946 10068.92063 8449.955106 5769.837355 16018.03342 7521.513526 9620.126401 9956.640003 13565.20726 13565.0634 4154.94684 5003.341027 3702.469224 2971.333269 3326.411331 1229.316507 4053.822479 2495.892718 5256.056676 9,13-DiHOME(11) 50753.02219 134422.5694 75939.63871 58078.0888 51068.47967 49593.81819 34044.8088 55707.00734 156178.8683 50839.1193 34626.1574 37665.43334 49772.13906 43865.08009 71750.06668 89219.42262 53719.82428 39536.27859 44457.9402 69968.64664 54182.17587 53325.37213 130031.4594 33210.02073 51558.15251 156876.0896 75979.35298 29846.00638 224439.9242 47528.74269 57998.42447 50868.89701 227217.3825 36368.91028 77628.25157 65621.86483 77831.39715 53263.76405 106876.8985 44567.01264 38828.94559 60831.46136 136431.847 65214.09083 58297.24493 232540.2735 72252.17987 57739.69662 190501.3499 75232.18349 154573.8851 44967.90364 57748.03263 62612.29332 Milrinone 18227.11728 15910.91711 10929.01638 11634.15135 9519.654205 9676.196018 15071.79906 21978.67002 26524.98941 10347.06012 14026.39112 15546.20723 9107.146027 11864.52669 10620.47137 13193.96117 11888.71883 15378.66862 4364.332043 4748.389143 10360.43619 3316.74285 5410.549817 5509.682942 9675.209964 6018.509649 5154.939129 24937.88759 13544.24519 12936.1896 22981.96555 11570.38766 16439.12042 12308.15251 16866.07107 12563.73548 13706.76435 5801.425092 6231.173737 6970.42613 5107.492276 3665.015953 6716.558294 6804.777028 3552.088371 9116.320569 12044.43168 11742.94635 11633.05052 14158.49186 7854.588927 13605.66011 24894.6545 12092.82013 Butralin 55588.42983 49152.2332 54179.60355 43861.49559 33535.28905 42746.03769 23081.22249 37278.40445 43022.93237 34125.34759 31931.66547 28025.22718 34068.80779 21304.72319 31684.98843 31805.92103 27179.83821 26774.24671 98635.32984 25596.28123 124535.5589 93235.76717 21993.41207 10005.64198 36420.64983 134462.8622 45317.54464 40525.25244 39015.05907 46074.26716 37138.37049 51148.66902 35627.35949 45161.00214 31169.32443 34692.15579 68055.17856 64530.14755 102824.685 86024.30863 78136.44691 49826.93887 9312.89829 125358.2546 132668.9394 13733.65181 12034.39163 58705.20649 69707.46168 79261.54871 51829.69258 64079.46142 51347.42417 15429.04799 p-Lactophenetide 34650.96628 49219.98333 81114.68218 140359.9722 133061.722 72996.68344 61201.55282 22111.96525 20803.44229 12870.72002 24555.23371 64208.4782 15564.61906 55820.62815 16575.15642 40337.09699 12895.11991 9504.28944 72601.2537 61603.74003 57176.63721 63919.87545 76656.18015 74558.10671 64936.67575 80580.53584 75449.66764 20364.10497 20634.50563 59277.31572 16795.23732 31462.45243 58264.58737 28542.43738 34026.93158 38910.81182 55489.40387 63614.05533 57680.41652 65594.23962 64160.86018 69347.02038 71208.65184 78446.31462 92747.11121 53428.31638 48492.20928 45567.60397 46296.66181 50023.48152 25335.69306 48505.83749 26965.87913 59370.62667 ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 34544.26607 34041.73439 49893.26925 51324.86208 61825.47388 37676.06965 34565.0804 28663.02081 23406.42137 11424.02376 14936.48775 43701.46391 11608.4251 18282.83547 47082.87498 32478.6854 6823.884071 9793.976989 43536.65249 41947.98017 39690.04481 36370.16354 45580.01771 53627.06675 42948.97526 73466.3981 69883.30956 15247.93551 11671.86301 37908.1424 11770.14943 20277.24261 46196.37214 19309.6014 25187.6007 22834.59005 32192.86378 31891.11439 34378.80314 36271.11042 39884.63039 43691.84028 48592.24563 74341.64802 48194.41142 40349.49263 32024.54279 37062.85095 33232.62262 35477.81986 34613.88465 34145.03311 11718.40595 42553.71348 DMABA NHS ester 6054.066257 50660.58404 2934.33033 2459.891354 2610.913083 3481.242349 5358.112033 6949.810276 3777.18557 46011.89773 34987.4556 18129.75887 48274.53259 32731.82863 25369.76091 25775.75556 37955.90722 32483.69569 3163.791818 2755.134056 2301.023316 1239.506642 540.8414699 556.0267484 890.0054296 2477.966857 1380.505413 29728.00313 37786.5469 48818.9039 41316.29607 45658.07238 34966.75365 37109.51439 42118.01456 54404.28014 15005.19162 1094.808706 665.6316685 1014.291579 1451.236282 2102.301585 825.5719464 3126.060846 2084.079868 845.6935771 1438.325528 1361.183723 3099.386256 14592.18361 33071.38733 2567.840479 28574.66478 6627.793795 Agrocybenine 1584.19089 3231.609123 10666.68819 888.8980075 1422.729917 4107.198096 5507.863903 6024.921911 4599.438577 17.08276726 81.31206182 258.3920132 8.826505886 69.68391421 4.07813e-08 120.5860238 59.01151474 85.34735877 2629.47472 5263.065573 5424.301831 1428.876216 2946.081864 9862.112982 3840.284004 619.9834652 1144.496496 4.07813e-08 9.877436914 251.2212151 108.8350131 158.5073875 22.2072792 6.637746423 154.8814382 18.39241195 766.4244025 3289.971867 4821.974877 7318.538248 1936.063992 1759.550974 12518.36534 260.7270896 608.6143012 3111.196998 4032.031885 3227.051233 5499.696037 4342.095907 299.2665302 4970.678522 93.07744451 8214.284158 L-Furosine 5581.423782 4317.215089 4875.306018 4047.690432 4710.05734 4205.804671 5516.898764 4156.986979 3849.488145 2246.066846 1359.23582 1528.911929 2113.700734 1200.183317 1040.023436 1885.75096 626.29182 1452.650503 17305.15522 14701.57722 12656.18834 11733.85331 15517.31006 15036.73413 12693.15795 17199.20844 15811.02321 2052.184992 2066.31186 1602.977551 1626.509292 2120.728265 1936.461766 1797.874383 1354.992963 1602.253622 8438.882938 11461.23399 10870.07149 11816.70053 14164.85916 14331.29653 15720.51573 15558.03583 19673.68398 13386.6319 8930.965227 11244.44628 8604.379329 7370.94479 2548.427047 10652.03771 2788.825981 12487.65565 Feruloyl-2-hydroxyputrescine 2374.020842 5359.075915 2053.297395 2711.469648 2663.732453 2810.185144 2600.825626 3343.527024 2902.387894 20445.60441 22072.57293 34294.6848 20162.00727 13494.42568 11200.95538 33574.01239 25316.7178 21712.24246 2270.168497 3306.005956 2996.760999 3118.391477 2991.25671 3761.203403 2639.144988 2930.273717 2944.807842 62136.05189 36654.02957 50848.17101 25580.82179 50248.16524 30407.99649 28346.42448 49259.31685 41505.46597 6082.925408 3107.245347 3000.672615 2914.468698 3080.528656 2732.626054 4697.929238 1928.785651 2844.823154 3518.313864 2725.023296 3576.687545 5047.002434 12056.40988 53192.67303 4978.633193 27396.55858 4224.587131 Prenyl glucoside 30295.90697 43957.01398 24012.2413 30753.79552 15351.65395 20706.10019 40021.36171 28254.83481 25291.9454 581826.6376 399963.6125 426131.2131 557833.4363 532718.6799 459771.4594 274162.3287 155186.228 108744.9964 20630.30191 16159.09999 19182.87066 23482.72034 18033.59844 20458.31401 14121.94076 18848.42269 16859.55982 375196.8872 446783.4507 660327.7518 291040.5913 384552.8991 479222.365 739923.7366 291777.3004 318397.5927 10899.74616 14573.8797 23884.68012 15996.77864 19672.76257 12856.51111 17566.68493 15570.37435 11994.50019 17228.54158 20225.70477 38747.15458 73842.14088 29987.78805 425202.0601 30882.17472 331908.6991 63783.36315 Orciprenaline 33386.61407 436927.8811 22122.21282 122271.604 23972.04391 37937.89818 189307.2144 130757.6586 47091.40312 443966.0634 456230.2359 485675.4713 492044.8593 429991.041 304257.0821 257104.1459 195441.3924 419144.9236 12025.66972 13974.38472 10529.27636 6932.57956 7649.863781 8765.136736 8606.637957 6076.18843 7182.552571 309785.5922 385196.3424 476271.7118 272813.272 431066.4496 514535.5137 421333.1825 273843.6251 434388.2916 73082.18704 8376.722871 7785.274188 9178.598095 9022.966233 7748.587126 7423.539457 6352.197601 6960.014141 16918.10297 28872.74015 42533.80474 98495.78193 277639.2735 455725.5244 126560.8216 384337.1843 135879.8313 (Ac)2-L-Lys-D-Ala 19819.3874 20259.68054 15202.33986 19193.27357 17083.42493 15669.4981 19649.49636 23302.56929 17233.22498 28505.40316 24073.56479 30087.51344 25488.0631 9435.109554 32201.6564 14275.12321 8896.557239 16411.04014 18934.85894 16366.55749 15231.38612 18858.13711 17970.06153 16562.38552 19588.87986 21032.24437 18732.92066 33723.40379 22144.73642 7906.20579 22254.10624 10948.60548 20329.76287 47925.25514 20679.74492 13726.65745 18798.31461 16058.84046 15043.83267 14873.09523 14139.58734 15440.99603 13006.894 18139.65503 19515.34171 12337.45068 16701.13081 15355.78435 22472.71337 54320.66792 21988.49624 15706.60185 22608.92498 16727.69896 Flupenthixol 1271.408162 3165.295807 1393.571169 484.4458709 4.07813e-08 1357.750091 1405.84574 1179.992175 2322.0326 130858.657 100722.6608 60393.90193 150525.1107 40615.94218 53314.13894 42885.82604 47422.40423 96910.2518 3560.244537 2817.147462 3680.580235 1085.123055 1997.145167 3939.592016 2001.018385 652.5594803 2545.620307 73058.60245 76830.41528 56903.40003 43082.28171 76263.328 37555.6056 61974.07261 35641.41166 47572.16277 4.07813e-08 2343.42193 1943.799013 2284.322102 1057.703737 1671.074319 3320.405433 1817.133191 486.5208278 2755.799662 847.0940553 1409.924274 501.2917127 5214.415902 66003.92925 1026.942147 66855.83987 787.3108901 1-Carbapen-2-em-3-carboxylic acid 14680.89528 15430.50397 23085.23385 19763.19152 25612.88986 19061.83108 14012.82313 9422.109713 18067.30915 6240.228257 6155.231479 5961.171501 6109.632866 5503.31607 4932.711679 5287.637993 4900.259383 5401.474468 28882.66991 19677.56008 31207.4916 12883.65077 5400.951713 10493.2038 20327.47819 16772.08071 13190.50138 5054.95933 6143.035343 5932.723686 5488.389831 7830.103289 6850.860663 6587.22736 6229.276567 6527.681444 15949.90472 19138.29645 26639.68033 19874.66859 10786.46372 8583.150536 10312.80737 19220.64852 5722.484145 12773.00953 8406.637746 12600.8902 26110.96542 25628.80552 6234.478922 13672.51712 6811.448858 9786.839104 Dihydroxycarteolol M2 40558.44912 26184.34844 38621.21523 45485.79336 53779.43837 53513.21823 58364.28026 34006.07854 16367.04389 1715.173728 2821.979722 3990.389594 2520.748577 3114.424658 2771.825315 2333.948721 1661.83575 2548.494817 28478.78294 46245.16493 25467.5524 42698.47927 61371.01652 73287.9414 47801.92213 32405.46109 53558.53504 2457.42484 2615.875419 3713.14428 1885.59414 5370.770094 3106.503864 3107.078563 1469.302598 3126.463561 31118.49679 45089.46151 23775.2078 37954.84507 46287.87039 46837.55988 71442.49245 34092.12009 42278.60325 92700.83132 48652.82893 31185.59994 24728.72487 24265.33853 5118.470681 23273.20857 4431.70029 86096.63308 Americine 4.07813e-08 1809.024467 4.07813e-08 1249.645012 4.07813e-08 155.3847052 103.3992785 4.07813e-08 208.849843 5059.68332 11622.78515 21546.23861 3272.336618 40515.56401 37310.23067 9680.735605 129667.9579 3043.878489 170.2862112 445.8401847 196.854984 1589.039087 538.5621636 442.8218403 483.4233012 88.32261993 1345.824084 51555.03351 7798.655356 1246.948883 7415.433796 3849.181177 5666.719475 4872.650185 34149.3042 766.8958403 78.8504224 178.9286767 4.07813e-08 1114.365322 2389.491526 445.1467581 632.790294 200.0990049 692.1999055 4.07813e-08 4.920383545 260.379185 514.169253 4.07813e-08 9372.636205 48.62440613 1933.906677 623.8721531 2-(1,2-Diamino-1-propenyl)phenol 23113.70201 57475.83474 32736.90072 18352.11011 7480.285041 8559.810424 26463.35956 55801.49929 93647.44934 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36.81840902 4.07813e-08 4.07813e-08 44.97307588 1307.177734 1930.51503 158224.0142 52169.34285 5078.671047 922.8983101 14651.94086 2572.706712 3632.635448 152.3500725 12.2856922 4.07813e-08 236.3002096 54.01330578 39.75799515 63.20383054 162.7118064 4.07813e-08 44520.71401 73652.57799 161032.3548 7644.716946 21962.80796 6196.404842 1639.243845 16744.17079 92455.88656 786.1481052 2755.73311 12383.66695 41983.51349 88337.42553 4.07813e-08 13285.98024 4.07813e-08 3093.718522 Imidazoleacetic acid 47116.35145 73062.26813 54046.69949 39420.20305 37520.3984 34608.74477 32355.14745 134400.3175 85206.55126 8481.422322 6849.2767 39078.50652 7919.527768 7531.521363 10508.50677 8701.784898 8006.717549 8004.202198 65482.5051 46316.41609 46810.67978 30349.87772 30186.59805 46943.74563 43880.68213 15360.47492 23956.20989 9272.623244 10514.70615 7500.123677 16177.77552 8043.119569 8310.546834 7522.467866 12567.65279 9569.614619 48520.21485 40184.81139 35787.84949 54476.60205 53092.41393 37635.37839 71666.68026 19634.08532 15133.71508 120344.9762 55208.8914 154773.982 96055.0668 152701.9693 7800.60757 127536.4637 25842.16586 51190.41589 N-(4-aminobutyl)-3-(2,4-dihydroxy-3-methoxyphenyl)prop-2-enimidic acid 44400.88716 21134.72285 14369.79562 17805.75028 23968.20497 13833.86105 15930.2226 13929.9435 8412.130771 3774.737206 3700.67208 3077.127083 5136.97098 4068.679683 3850.535957 2501.615783 1795.440219 7150.27222 13082.68866 23506.83085 12580.59503 10904.32357 18990.99876 20949.47532 14277.84641 11800.91529 18522.94935 3782.179059 4393.548629 3415.175226 3160.05645 5105.66922 4764.107926 4811.407986 2614.137221 2473.029463 11311.78418 17517.46727 11535.41843 12895.06662 19113.40838 16623.97576 18888.30301 11577.32954 15898.56922 19635.66737 17471.09169 9655.863358 8872.488589 8230.197832 4367.844701 10766.51165 2646.08727 14926.59651 3alpha-Tigloyloxytropane N-oxide 28016.8787 21563.0047 36233.48987 24456.02798 40874.03936 40570.39941 51379.33194 29821.15699 22951.48052 44.36453403 132.1291971 400.4546155 42.99297446 181.7015269 170.4249459 210.2887676 634.5771496 524.0449508 91099.24986 98923.87636 37981.80817 83051.7985 107068.3374 101892.4812 94246.98112 112010.0673 100054.2142 741.2869496 1135.942386 862.5215275 502.1569158 1837.440735 344.1052453 540.4472224 291.3893911 612.6284909 45234.21365 62025.88114 30243.65772 84935.06726 113209.7193 87318.68135 97465.35055 102947.7197 127263.7939 81847.16874 57828.29759 55575.9408 36120.18975 26097.48627 821.9877529 44687.26772 693.6999954 81878.32062 2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone 13714.20299 9839.911426 14161.83414 13456.44024 15634.55332 12178.35807 13711.01665 12240.18198 9934.466974 218.9127681 1004.670817 1263.675998 1261.345783 1302.994621 1177.515662 767.2556324 527.575188 7.290992901 20063.72077 19534.07141 11819.1963 18545.50616 22476.40614 22558.01986 20140.98957 20903.65813 24003.3059 652.9712703 1012.755237 1020.449157 794.0046464 691.1063501 1620.402238 999.0572537 810.6893832 616.7706383 12857.55309 15303.51754 9326.869426 18154.04195 19987.73792 22657.61178 19897.11696 21466.85765 24903.50994 16723.60442 13577.71492 12517.1578 8967.468497 7542.719307 896.3873129 10935.05212 608.2404137 16140.03878 N-Desmethylzolmitriptan 4752.01009 4627.537566 8294.829775 9272.717622 10152.1109 5258.187391 7384.710908 5780.193497 4093.117271 1478.487716 1397.787686 4308.09149 1353.101264 3066.25387 2488.227918 2124.139448 654.4809393 1304.40733 21365.42477 17715.14279 14040.89938 12738.54245 15584.77443 18959.84247 16395.37764 19267.33682 18012.95477 4963.422568 4424.177668 4001.436124 3925.606391 5694.587788 5134.862683 5648.555048 2826.547936 3057.999261 13363.07891 14917.82291 12151.34189 15512.20786 16578.40402 16724.8361 16844.60805 20056.68498 21743.38349 13933.72337 9652.076779 13827.2721 11216.1421 10479.22185 6846.650156 12649.69483 4602.84874 13811.01385 3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal 42084.38724 19595.09092 16696.45494 21448.97592 38808.12766 6955.189478 11608.00843 18031.11456 75707.63687 4105.154332 3220.021231 4215.580472 3226.699959 3365.273738 4680.006559 1797.906751 1578.228933 2467.281636 60009.74383 36048.08047 50562.54828 19655.16133 9896.298382 5816.600584 15256.1876 48848.56568 7010.875824 2313.844587 3158.827273 5347.183181 2900.413587 3927.548981 2263.639213 4518.080681 1683.489091 3794.809075 29707.71806 31122.95181 13922.06232 16459.47885 18739.8774 29214.39463 5104.084565 49992.30609 34470.45007 7633.012377 9057.855822 8030.640838 11260.24854 15172.03161 5188.452541 8814.267714 2474.207962 10353.78062 Lysyl-Tyrosine 121521.6327 236723.7263 42269.2324 77909.45326 131262.6208 39524.47904 161895.5876 145907.5279 107116.4944 403939.0625 161001.2909 204358.6078 589009.2073 81416.27298 499924.1769 241413.7292 139561.7296 129895.6753 36920.18589 51725.11261 50359.57512 56947.34449 65841.06925 25393.32687 53052.7615 40703.80729 36778.34788 433070.2523 329056.0778 217344.0041 448547.369 101174.3012 286871.9574 761271.0606 628479.3727 224046.8348 131081.8822 43720.20582 54533.06976 48689.84267 44855.83277 96620.83694 21523.80969 40155.87056 38458.93789 24091.36308 34999.16448 56807.85329 133474.4483 254028.9083 175805.6333 73429.79099 153621.1916 51393.64188 p-Hydroxyfelbamate 1245.64665 7783.485639 516.2052772 1607.327098 399.3210926 1314.43471 2984.948979 3637.721118 720.20103 32949.86923 16119.61449 12405.6518 32038.41582 15331.51712 44191.95427 7629.819075 37775.07033 21230.68893 229.8656 2092.366673 898.0845836 262.8144293 1685.696246 1885.875237 1483.902473 1080.649318 923.9231755 43682.19778 41246.33284 20895.03207 44490.24835 32366.52999 41913.69965 50302.70824 31527.19704 25580.69477 4561.524555 953.8188249 1411.091914 991.7333086 934.4995303 1080.428439 1620.734886 1547.546319 1517.559256 511.2941454 1177.922593 968.4762906 4517.868256 6246.137688 40706.84102 1823.070402 33358.40833 4782.219192 3-hydroxypalmitoleoylcarnitine 2029.885909 5702.488524 6395.132392 5580.373344 4626.337021 11963.08804 12082.78941 11218.2363 10098.86476 11844.95513 25012.97038 27095.32707 11589.08941 64023.77146 28826.82014 20807.02772 62063.7171 42890.41734 11517.20876 9442.351278 8894.217504 8933.739396 14734.01497 17486.21974 10632.09259 3866.286608 4136.930004 15559.75741 22397.09306 44312.56092 29648.84077 53398.54933 23141.07097 20876.51683 36517.19801 35027.94938 7634.307721 9725.490822 7820.205402 7507.677638 12250.35453 7818.894035 11610.66911 3550.21576 2549.220754 23502.47099 13766.60548 16119.80901 7211.043069 6523.049783 31002.46142 16214.71505 28539.70942 9471.274794 9,10-dimethoxy-13-hydroxy-11-octadecenoic acid 2436.196628 29642.91336 13375.40598 4715.984393 3578.29711 5673.490191 2094.3413 3027.791062 11795.36204 5174.450258 1349.89167 3438.452148 4213.731912 8505.550201 8116.324174 8928.434355 9020.042506 3033.805397 3467.914289 10300.70372 14102.25651 4727.872749 12468.26096 4841.922358 3586.131992 30608.70638 10974.66107 1030.567743 53442.97408 3452.479466 10467.19023 9170.621555 69489.75741 3506.069585 7172.933317 3566.386594 6351.843162 4645.827125 18509.51214 5256.649181 3264.575193 12898.25479 15125.1223 2589.571114 5304.021094 77944.15178 6295.191359 12263.14075 21486.94297 8752.589826 17373.68619 3754.978315 3377.379697 4101.07122 3''-Hydroxy-geranylhydroquinone 308214.9193 162667.5029 113120.6377 169042.0635 136389.9173 340203.6095 413668.566 349606.2235 251130.731 420.5366265 122.9938608 270.7377002 197.6516392 262.4320586 180.117666 280.9933565 450.1519426 449.3402189 200190.8632 269964.4283 188827.0122 357623.4576 544050.0472 514005.9749 142285.3374 267604.6297 132525.9101 735.5034003 438.8592351 696.2037788 1125.075756 698.7660877 4.07813e-08 126.1112009 597.8689832 333.4923403 500509.0024 252776.3382 222060.7107 332970.5585 412121.0819 265633.4502 392861.462 215293.8895 108464.2544 201461.3619 240922.7609 280459.0901 273384.7344 248289.1555 33753.94309 171426.3932 10559.07982 264937.3965 Licoricesaponin E2 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 292783.5334 189740.2657 500585.1445 292687.2229 475926.0765 249886.3405 382573.6925 236958.0685 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 187501.3058 140965.28 408512.4798 29868.27275 85938.17754 289751.4554 222168.5893 290719.3296 423.2328185 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 126451.1994 4.07813e-08 178159.7249 4.07813e-08 docebenone 16063.74826 12981.4223 13670.51763 14849.66043 14993.31226 16243.36742 18745.1662 16834.91498 15964.65021 3623.929288 3254.482983 2145.303621 2363.80706 1771.217192 2167.449868 1304.984354 934.78086 3719.216416 21641.89899 25726.33044 11282.23564 20058.7819 31515.45242 32821.13098 25655.65589 15296.35998 32119.73882 1956.237515 2655.557884 4157.029452 1729.356314 4402.379644 3975.368927 4110.41956 1082.379317 1793.276933 13997.171 23372.33295 11758.10385 17448.14015 22586.75182 24306.00143 26122.90664 15903.69633 26274.94793 20408.82948 14348.89184 17257.90254 11940.44202 13227.05971 1612.736769 12715.79724 2515.230759 20549.80772 Pantothenol 13388.52811 11422.97255 16192.78212 14624.88139 17823.423 13781.60913 13692.158 15322.11297 8970.622111 3072.279401 2864.558897 5089.955496 2681.271446 3589.60498 2863.988326 3926.092808 1387.39189 2536.517321 18181.74971 12210.86906 15953.77336 15802.14691 14060.73515 11468.90662 17618.59586 25539.26277 16072.85587 3337.264328 2746.405271 5163.474081 1980.05168 2852.161861 5544.203839 3835.245306 3134.638395 3733.660359 18936.28575 18446.40768 18598.88624 13262.73338 14722.82564 16849.85062 11945.73433 28698.70157 16115.80289 9450.493312 8893.705434 14061.70098 16931.09288 24167.74163 3612.195081 14768.90059 3227.709685 14331.09549 O-(11-carboxyundecanoyl)carnitine 427.2108565 4.07813e-08 4.07813e-08 286.5143122 191.8019008 220.3568089 428.3585476 177.73716 19.70006547 1599.200101 2801.964353 4366.592799 2942.437422 5990.802323 2770.872353 4372.130007 1107.138979 3749.168344 130.0948511 559.7462973 119.2734795 311.6731471 588.2011604 851.0534573 7.729979334 107.7172932 19.74843396 1014.408175 2983.252878 6538.83567 4142.282269 7860.148165 2497.521708 2560.314031 1737.605185 4713.307467 5.275021558 667.012538 118.0706431 217.7843019 482.6859903 163.7599366 404.905889 507.9854078 40.97571435 803.7133907 397.5941864 902.9952155 1017.694702 2828.225129 21885.36788 672.6268536 8328.363906 1049.251306 Rivastigmine 42673.70107 30349.08128 37882.8257 39919.11983 60776.13126 43587.24218 61875.67632 48115.28383 37500.8199 1023.835991 893.4956056 644.4492743 1000.994313 787.0747403 576.2068626 254.0941276 736.6869573 2054.524051 78511.35233 90756.6252 24630.13755 57180.05369 108769.8108 130213.6703 105018.2807 108610.2002 122744.9102 1139.848531 989.6922348 811.6372102 1288.626464 1627.561118 1409.590516 1432.9506 257.2490853 760.5687298 64733.48412 49727.37045 20432.00081 46502.78886 78863.57603 77554.03892 120744.1935 101229.2244 115016.4684 116694.0259 73459.13271 46158.01945 30444.97724 24496.28696 1568.172373 29933.94061 1500.769753 110525.9731 Piplartine 20352.76464 15623.80661 25724.43707 27715.52696 33362.25058 22242.01634 26934.1747 20284.73894 16335.81996 1297.802991 1382.823034 1278.994531 2181.040634 2376.092705 1173.015636 1593.332834 1087.506128 921.0191539 36110.81828 44214.94985 21296.65421 37351.7761 52400.60129 49558.49298 43726.92951 40178.68895 48603.39622 2654.423669 734.2380052 3597.889766 944.3487491 3444.015951 2179.462097 1850.03036 850.5270308 1069.346909 27436.39706 35993.19534 20775.96237 39167.64172 40179.85979 51030.61738 42630.02111 40349.23319 47636.20569 39387.89377 29006.79375 29324.56806 23533.27384 21001.80826 2541.617742 26342.02246 1829.995253 39286.53871 Feruperine 8187.839038 2518.612904 3362.427298 1522.159624 2441.259797 5819.180346 20302.20552 49993.65721 35368.58022 133.2134646 149.9708818 2.401939097 109.9413448 10.41079608 1091.722869 4.07813e-08 114.0085128 2095.937681 8808.332067 5678.594586 5522.907863 7111.16371 6854.022829 7316.234988 8180.613581 7857.985871 9653.014067 229.672145 0.413407159 190.1415439 124.5472766 750.4501462 210.407913 794.5962373 1.497731226 4.07813e-08 12912.80224 10961.0598 7640.377879 5492.913143 6931.758771 8413.518077 8739.885467 11800.95884 8737.409667 5020.427248 4048.553402 7329.524334 7354.468328 6253.082032 784.9611759 4979.824342 4.07813e-08 6789.22332 Formoterol 78591.47257 92555.10385 81757.6379 133527.1022 47655.29411 78610.29329 85529.86531 121406.5958 114398.3705 36462.7698 40058.37236 56971.10929 35811.14554 47591.60778 24906.54409 51042.43324 29389.09994 30815.17578 46452.36625 69802.47204 51568.90023 47990.27253 40301.04289 68273.89854 35294.00282 38141.59862 40578.5166 28985.46585 32479.94858 53634.04075 35211.05381 36406.70854 43532.68853 32975.07705 69895.00128 31347.71139 47584.9718 84475.93593 63381.41108 63015.46205 60040.00928 33656.99619 58773.01021 32570.94877 51120.37471 59992.55447 60224.74917 58591.39995 56042.28401 68192.01178 27924.81978 42611.89311 22172.83774 46537.09688 Marimastat 130526.6758 187381.2891 93956.77002 129106.5785 78738.22982 110807.6701 149239.4254 181545.8951 252148.3485 38277.41383 57275.19059 42386.1609 29804.70088 25980.98095 64325.82421 50906.48096 60487.89809 41075.73723 34891.04486 43451.77494 86928.14461 40446.10604 38636.78178 42493.2963 49421.41787 74244.29106 60235.90905 22668.09989 40392.64555 31065.01904 48194.25615 39278.44671 46444.34262 53078.89007 50590.61288 29506.26034 49430.15604 60293.46068 80875.40998 66667.2348 32332.95244 35506.09688 34952.12274 55321.53526 46713.1158 45980.85203 103596.2659 65231.31446 101192.4721 193240.4205 27069.0151 59764.54281 44926.49158 47969.0864 3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid 59260.3556 73920.28605 71140.12633 81760.58525 93788.12994 69516.48443 78232.08991 57700.23653 56851.10457 51526.73272 15835.60539 78901.47115 54990.30645 92378.09945 133829.2023 20459.13192 57920.68588 224678.1959 66995.85468 68323.45843 52474.64187 62684.51895 66117.10233 63941.83898 61966.06148 44957.81785 48004.92419 23646.72474 37173.8404 13310.9433 17936.58511 20760.58821 20077.34448 30486.55128 39464.38082 30863.68069 52528.62402 54905.81805 43333.33347 65836.07357 62736.65482 53167.46664 56518.28841 40061.8395 55088.80792 91433.19202 61958.07392 51872.983 53666.07107 34095.35828 39176.39712 47787.91918 17756.41818 61626.60985 Pirbuterol 14428.85623 11640.00333 14993.69065 10962.39118 13514.54534 11206.01269 11124.12435 14668.43262 11650.26533 7139.899313 7079.656631 4916.539377 6673.213183 2625.440914 4836.389716 3668.301767 4252.247463 6960.808303 45814.89118 24250.99681 18491.18463 32242.44688 25208.72809 22256.9895 26411.12021 38333.99091 25691.23348 10095.60978 12728.79483 6053.130259 9166.780209 10843.35161 7348.713587 10180.90934 4370.622421 4775.794282 32425.62282 28943.20147 18012.68515 34380.3223 34196.65578 30657.99015 20671.58554 35048.76094 38544.53498 19910.48097 15981.45522 17701.39143 21262.41525 20777.43628 9410.789846 20901.84145 13427.44653 18318.71733 3,6-Ditigloyloxytropan-7-ol 15756.47911 11439.07781 16749.04047 16090.52652 24596.48256 15854.722 14690.21941 10725.89811 9976.14087 8948.726091 6842.905043 5393.757389 8546.102653 7191.025255 7665.738166 5325.965308 3887.967913 3866.257866 47217.25241 26783.38118 39749.77636 23832.46275 25385.25367 29105.263 23384.1535 23604.32117 23183.73678 4251.203627 4947.746511 7859.438186 5688.04262 5970.995664 6618.741271 3448.271813 8390.552993 6386.096284 16119.17553 17858.80025 10595.01784 16799.81362 26198.51746 23992.79142 24925.75215 22302.62711 28233.54375 22097.79885 14226.83668 14939.99304 10427.29492 7528.785089 4854.449522 14638.2276 6280.779659 17735.54852 Citreovirenone 10587.85049 6397.798617 8513.914811 7531.210507 9866.710499 8057.018004 7343.942749 8568.735519 7422.864036 296.3421507 432.3559838 772.3233344 143.809489 475.7152793 816.4742422 469.9873807 271.3765589 530.3541947 12562.38142 12146.83845 10801.36655 11756.71691 12483.48601 11496.94474 12028.70109 13486.33543 13483.02298 81.19340485 272.1255185 611.6924119 202.8748448 480.3706435 722.5025625 101.8022472 118.4673691 240.863254 9978.826002 10709.59803 8430.009348 9980.990636 12078.97475 11773.40397 11570.10502 13877.46088 13121.69807 10546.62975 9109.68126 9470.080674 6952.280507 7066.159318 432.0443233 8192.826378 475.935674 10434.73241 Coutaric acid 20772.54466 16793.35835 13298.3948 20755.36781 14280.47567 14329.78111 15333.34298 19453.82687 26934.97917 4839.175118 4333.416463 4658.561599 4500.808082 6588.060648 8893.716724 5872.384506 18494.64822 8114.265336 8377.186707 9346.340429 14649.48343 8774.051719 9628.768776 8395.436265 11089.03343 14603.99958 13017.20093 18491.5806 13986.67586 15781.63969 31060.04196 18161.69964 6644.093336 9806.647103 17822.25396 6572.25781 10409.42189 10795.68035 15865.24561 11905.77178 10813.32199 11811.41748 7403.951577 13946.81043 12539.27986 8866.226574 10444.06844 12690.61327 16980.00024 24995.98626 8212.413176 9797.595372 9981.491456 9737.727019 Dinor-10-NO2-CLA 3452.57702 2684.617939 4848.097184 8954.575306 13170.89163 7165.897834 24171.18227 1775.012803 1872.065535 4.07813e-08 4.07813e-08 4.07813e-08 67.83741685 4.07813e-08 57.65577456 165.9867843 69.66806903 4.07813e-08 6712.102711 40875.01291 1011.538333 8581.685171 53794.25642 76446.80796 41409.53636 6889.327039 33457.553 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56.95443931 4.07813e-08 4.07813e-08 4.07813e-08 59.03724456 16625.16149 22354.07582 2953.265722 12502.5666 12402.96941 22600.883 72779.87686 6739.903605 16502.06653 32013.95227 27716.61053 8745.158242 4138.249528 1841.387791 136.9069703 8482.409282 289.7017392 48179.65725 3-hydroxytridecanoyl carnitine 90429.11297 73851.25063 110516.043 130483.5775 119871.5937 149334.8373 151155.6109 122610.0977 81436.57821 20372.723 21428.52497 41276.22197 18753.49376 56576.36081 31039.29029 30601.41335 42697.70386 35002.28995 84026.23703 83811.41528 75557.78786 94997.39994 112667.4839 104230.3983 109411.9884 72518.20864 100911.7266 16475.45725 26762.83951 55128.40169 25050.06563 34612.36405 25272.51826 26564.67081 28843.30144 42658.90572 73152.25322 80558.63214 77833.87518 94315.77945 96740.83966 97862.75095 109346.5968 68525.2364 104944.3217 105077.6355 75876.86345 124425.0924 92438.94354 88538.64638 30146.20623 105696.8341 35706.00253 92345.44577 4E,6E,12Z-Tetradecatriene-8,10-diynoic acid 25724.49935 32667.47554 13384.58695 27478.36198 13931.84419 15959.18291 28143.47542 33128.44378 29350.13831 17233.18296 14709.57716 13920.00249 18609.65391 10975.89995 16249.16746 14591.39223 42174.56428 23641.64315 9562.120535 7766.426639 12374.88959 5930.785763 4897.598232 4992.993021 5624.366666 8897.036534 6096.707549 21974.04522 18120.83811 14950.65436 19663.36071 16495.71402 28079.48124 23358.87966 24762.54168 12248.64546 14906.23573 8552.430694 11381.34218 8624.092748 4666.073463 4847.461093 4983.299277 9965.604056 5546.567355 5379.214391 12491.44324 8556.660615 14587.94411 26223.54512 12796.79905 8642.800356 14532.19354 7060.813202 Nebularine 73239.09585 121200.0268 110784.9469 57975.10801 102947.0722 67753.94443 42324.20523 204745.5958 178907.2737 6661.534414 4825.396205 56315.81538 7643.222622 9587.735248 10559.32561 3475.314767 9238.877865 8336.421656 63273.10718 61027.6603 39280.29723 42665.44024 35459.44042 61565.54297 54493.64775 20548.52673 49964.23862 7186.167688 8762.056402 7430.377367 8783.563468 7933.135977 4268.211074 2196.875992 17952.185 6740.668791 55629.05038 54792.05818 56390.19103 69241.94934 84295.73689 64794.80703 97945.21929 49697.74904 22755.20971 185018.1962 85695.71347 169770.0677 117994.3372 171174.8245 8712.006192 155493.6613 12496.13496 85970.15633 Descarbonyl-lacosamide 21306.92791 14895.05197 25836.93012 23787.53249 20372.61987 14630.40695 17585.35574 15415.19626 15770.47816 5522.242478 3401.854604 3543.500191 5227.415746 2773.044365 4613.714285 1701.819501 3601.135195 3395.898911 37048.59676 32672.45099 25717.92801 25274.89354 31757.6895 30535.22218 32697.82522 52577.59742 41281.93357 6271.079699 3665.737517 4386.765394 4232.961704 4034.223208 4262.043402 7903.742004 3163.484183 5042.621908 25080.24231 23691.09789 19379.91013 39737.93784 25745.53211 31357.43952 29553.87173 63977.56682 40056.91974 20321.97077 14933.19135 14767.11609 13079.06129 12825.87998 4191.624519 15960.84616 5975.40013 21210.0344 Armillarin 206485.0717 218718.5615 218522.9861 218967.354 197414.8453 192114.5465 178625.9557 212993.0394 223484.881 172201.3227 186166.2907 166863.5043 146981.2878 183275.4472 125882.3612 173812.0065 166712.9281 176444.1129 156368.8116 157012.3708 149347.1212 162460.0148 153123.3657 155722.7228 183523.2951 196205.2347 206041.9365 150575.6307 187993.1764 198828.7381 184938.426 147746.3406 165744.6825 182765.1601 238302.3825 189635.6603 183487.5121 148340.8681 156349.8434 123323.4816 142462.1855 137255.3336 157346.9576 188495.4948 185516.5261 160564.8992 171843.9145 153210.4237 163220.2138 159990.486 141987.0685 182109.5025 191218.5625 170640.0436 Quinaldic acid 14373.75064 18617.33264 20949.72153 20546.17582 19411.35484 13355.89033 13329.55239 8236.254123 10588.10466 1033.424395 995.8064123 1458.654838 1844.825113 1313.282715 701.864713 1774.918846 1334.781984 2076.378683 18904.50754 36271.38464 22759.12989 16697.22452 6406.102004 19687.83631 20843.6629 7353.643434 8838.287397 766.6863719 1227.064501 2119.801237 1097.386492 1445.707391 1523.269925 1363.569551 1088.622388 2067.44326 8845.593253 21871.9087 20961.98248 12858.76126 16431.15772 17656.7636 17737.20388 8074.90314 6927.551554 35847.3645 24511.43876 12267.52055 19486.17261 39664.32913 1439.245711 15072.04972 2369.824957 10270.66555 Leonuridine 25389.52735 17959.9854 19566.22507 11560.9398 12109.69628 18829.33508 13606.96788 15666.20377 15063.26407 8625.50023 6544.656189 4158.281909 7208.733968 3769.463665 6910.295365 2656.535416 5149.072281 5007.095674 28508.54911 28455.90594 22522.08666 25175.58249 25912.89988 26009.84936 25821.65878 29551.49723 32072.33674 6380.936387 5544.512513 5297.640478 3759.701813 8143.159678 6245.513546 6918.801394 2842.986185 4107.99387 18720.64752 23692.66707 19758.50021 23262.8344 24034.75172 30216.39147 25819.49209 31393.3911 38818.9919 20635.99888 15837.00142 20272.18876 17624.84347 16243.11845 7864.06077 18839.85626 6623.295829 21355.5268 16-phenyl-tetranor-PGE2 67.00314624 3521.990177 1145.472172 1.687884614 271.0620651 213.5806982 18.88382983 1417.424994 15416.43691 8816.407595 7300.080472 16739.19429 11883.35157 31644.71361 17744.73528 12603.89111 1996.708292 25344.37756 18.90269733 1782.050744 1943.830772 1224.779447 191.2610931 1167.654994 1801.683966 1098.304328 1653.337564 12759.96023 35251.81619 34578.14802 28882.25603 23436.59614 25826.62102 14330.87093 13562.25628 36217.82155 1235.662909 894.7286452 987.7015753 529.9068685 744.4440245 910.7580676 1150.029747 1224.828589 907.4584761 591.7238145 1523.555143 1192.842303 4088.868115 379.1036293 16379.85837 1180.071408 16364.16685 2001.636653 Propafenone 273615.196 259538.5498 269334.3946 288497.5772 261715.4194 247616.1199 252646.1035 284567.8839 231750.6338 167046.8865 154841.9651 141948.5643 178276.9799 159278.0654 132606.1608 206672.6052 143726.3136 175704.8804 190963.8158 189715.0658 159403.2528 186508.3009 142476.7735 163888.066 185611.8806 229614.765 189207.788 129737.1798 189460.372 173835.2469 174415.8926 171515.363 166731.9987 138490.2189 184216.5192 193498.0318 205327.7189 180780.7146 181954.9476 166268.0999 152924.5405 168273.1175 185013.7001 229189.961 172728.5394 238246.5179 207402.8036 211490.9808 202482.0334 196396.0416 139785.6836 212119.801 192160.1869 260401.259 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al 6986.216044 5352.502644 7467.355474 6947.256137 7546.30489 6879.034291 7793.159423 8331.542766 7168.166882 3935.164184 3310.090825 7015.650683 5091.370596 27516.41753 5820.992446 5735.921283 8309.184606 9192.963511 8119.115899 8880.189993 7876.329959 5739.932809 28567.56518 5663.316965 9875.180573 11390.34565 6238.337114 7292.681345 13594.88242 4500.800507 5463.944086 4804.548777 13080.77511 4188.499987 67483.27196 4786.943922 9413.769173 13840.01572 7954.873701 7069.087707 16188.70504 12261.22039 14252.79767 15376.97563 12998.26496 18053.60224 10193.21909 10754.35736 13376.97522 10393.93843 6729.933357 6761.39813 8897.749713 15405.11401 (S)-Verimol F 120.777153 1200.074859 106.1334078 88.91791384 4.07813e-08 228.2838693 4.07813e-08 494.2476805 166.5658459 3657.219782 10671.56205 11034.43675 3077.660756 43894.65098 37443.71703 58323.44408 113203.47 13714.87478 620.9995678 724.426581 688.5320938 396.4679526 686.1961801 230.5932146 114.4924407 676.818066 691.6740938 28021.17422 5052.568678 3905.805653 6775.742242 9867.243051 4983.655965 5709.122045 26056.51188 3279.875945 1046.056291 368.6419924 617.6381885 954.4205982 360.100718 59.63587365 242.9934171 598.9372152 479.2337727 119.5349098 4.07813e-08 300.7683908 411.2058024 465.1023108 7506.676721 186.9320058 3254.649019 525.4207132 beta-Zearalenol 54908.50386 42132.00854 23204.19921 9964.685719 4558.271654 26142.60482 58753.8434 13455.93516 19695.11104 40091.23201 10503.07445 1298.295077 37993.20563 2038.732031 8387.090313 11211.79951 325.0816437 11053.92987 3079.467729 7558.373707 3414.205564 6723.868023 3549.324365 5926.978579 17872.44871 3432.157584 3500.839759 4.07813e-08 316.3009768 2027.486693 1100.187594 2611.388853 682.6309684 313.7799241 4.07813e-08 5357.193156 11505.65717 7705.044602 5965.962384 3232.279419 4747.911496 4380.87593 5021.322076 4434.288144 1744.337836 8166.193076 9037.038247 8094.87748 7230.995742 3013.842611 5792.006926 7031.624686 2858.633062 33114.18727 1-AMINO-3,3-DIETHOXYPROPANE 2616021.053 2497536.566 2414001.839 1815024.942 1822059.348 1836173.838 2294952.231 1898708.867 2124828.842 1268025.172 840886.8386 726437.3916 1183808.492 752761.9404 823806.553 381068.2345 374423.7787 739011.8847 2340269.593 2170832.708 2045977.377 2289955.312 2319420.196 2246495.029 1982778.623 2056808.781 2252643.027 667782.8763 947405.922 778905.2605 729394.3315 1218825.239 1015365.478 948346.9439 481692.6665 683630.4041 1946589.673 2486671.828 2105925.115 2067391.552 2367930.075 2024095.422 2045860.729 1934503.85 2671182.723 2221030.07 1637634.937 2048356.929 1885820.895 1833206.058 936073.5395 1985564.201 769605.7238 2384148.078 8-hydroxy-nonanoic acid 56468.66108 42948.75173 50247.62126 33937.87669 40496.09966 46364.24015 47870.24418 37438.44942 40204.89481 21831.47568 15811.06046 14658.35151 21462.56655 13649.12495 14427.87083 6304.638463 5846.575697 11541.30825 50474.21522 49984.49024 41459.40336 47318.54844 57003.59544 50547.66902 49631.72594 47720.19954 58949.96415 9847.545978 15468.17184 11980.05182 11147.78591 18709.01338 15692.9261 15277.55975 7463.847474 11311.50858 40041.4031 53665.83054 44083.63567 49380.50679 45046.5012 49207.39506 54517.81017 53690.42188 75722.92433 56138.74139 39342.15622 40745.76994 32419.31271 38482.28272 16782.99595 39091.48547 13448.48171 48601.48302 2,6-Di-tert-butyl-1,4-benzenediol 935203.2821 952170.4913 938968.366 932951.8799 877256.9236 767391.1906 771914.8728 837630.0888 874296.6152 608008.6531 567482.3283 551722.1381 598704.3411 588778.1322 493891.5295 746948.2089 551441.0845 648730.4777 638191.9849 656537.2991 593407.4067 617593.7384 576041.3209 592230.1087 680306.6267 755034.2078 707006.5053 540038.6302 622878.3631 684894.8242 654624.8833 586298.9925 617838.6323 552590.136 664540.8688 702961.7318 755950.0835 629512.6581 650634.4012 566790.2966 581885.3185 634008.17 655636.7267 783744.6356 695738.2611 728136.5158 688390.7687 655937.4467 707409.8201 695942.7894 530869.5295 736833.262 700168.3082 866540.0567 O-propanoyl-D-carnitine 6086.210843 3816.445769 4646.144391 3451.292791 6533.599922 4737.224472 15428.14526 6727.345033 3900.414878 598.5384606 1426.084139 527.9904085 818.2607444 457.8359637 524.5975106 743.9809124 566.7239779 559.5070859 4362.417294 18347.54734 1238.471818 3988.668563 21253.42635 32412.03245 17488.54937 4784.865806 16071.23917 381.6739523 612.8000745 305.8411156 514.9931762 301.138574 660.3896005 608.4615701 841.2255136 491.4524779 7974.24236 8972.597516 2170.21897 5314.740078 6356.077911 11296.77022 30985.65569 4410.981659 7502.929585 21129.08824 21196.2953 6230.867337 2883.336898 3908.538762 363.7564487 4782.770534 392.0313242 23889.63246 3-Hydroxymonoethylglycylxylidide (3-Hydroxy-MEGX) 183910.7613 111228.1966 230285.6816 230770.5224 197518.456 132965.4811 174616.3295 153539.0201 116612.6121 1532.55803 679.2700611 1227.777462 1097.640302 862.9062011 1158.240301 52.97477336 310.4443736 528.3236976 399666.1973 450706.3881 297486.2339 300746.8572 361276.9608 396106.547 407551.8945 515616.4939 373046.654 2039.780346 982.2934705 1403.266559 1829.507917 1982.904603 1700.43592 2381.549129 1474.138637 963.3074558 275500.0948 293056.0502 192891.6893 491863.0927 294820.0818 435783.4294 382841.3466 492552.9631 416124.3171 230501.5732 278332.9898 155043.7353 126119.5491 107177.3713 2342.759442 171382.2545 1742.807667 253525.7128 1-Octene 17109.94979 17515.67483 19352.44779 17817.98872 18134.94582 16536.23433 16315.11135 16972.14985 13984.05575 10959.28542 9982.900392 11050.49277 9918.44668 12553.77427 8672.850822 14739.16587 10415.06608 11702.52197 14719.21098 11855.8249 19024.37204 14317.18696 10212.67277 10677.52204 10946.78273 13351.41885 14694.11724 11685.833 13180.16237 12710.22068 15151.70233 10954.17242 11922.90721 10286.7607 33976.75962 12811.74567 13357.1463 10268.59062 12719.10979 12711.34894 13929.06441 13286.05218 11741.91278 15478.56021 15025.22773 14330.42156 10585.73194 10382.68508 13150.58058 11112.96914 9346.360357 12379.78392 11522.17987 14879.34271 Macrophorin A 2525.513716 982.4587911 2497.90945 2084.99744 4803.985628 2764.665159 1930.926953 2053.033597 5425.784618 16299.87279 12742.84106 32938.94721 14742.00347 16381.36032 22886.03717 14908.31446 28154.37654 7972.510294 7307.979181 7761.234677 5321.98601 5467.414411 5445.54866 11610.43613 5961.64489 7114.814738 6882.635414 52297.37287 27279.73696 12399.37355 59114.226 14516.09131 9367.489542 13902.66048 44082.78181 22687.59598 5184.970323 4636.73788 2566.381097 4882.374919 4842.840893 7604.388171 5557.704684 5224.673717 10666.22647 6093.920107 3984.917467 3140.09144 3755.92427 1773.171299 14963.52368 3009.278418 70795.14993 3918.853036 PGF2alpha methyl ester 1188.160832 12079.09411 138.5113494 350.1370219 980.0932708 658.4894866 1806.745442 22075.45067 14368.65427 67325.51714 107088.7663 128809.1215 67184.83302 768639.3328 129871.0175 322267.284 770368.9688 122641.9577 658.8984099 446.993931 114.0900829 493.6117493 496.3888769 776.5107989 245.4445846 1285.492609 136.3770691 128158.5663 124038.8904 393614.7213 173473.2972 1229481.279 52290.49889 86604.10295 471251.0847 135919.4515 998.7832165 285.0816549 4.07813e-08 681.4966735 472.6215238 578.1993387 266.7878123 2887.291798 338.8675108 230.9931882 10438.82559 8310.266938 11752.68714 12764.0069 148525.4868 18638.27165 213703.0862 19915.63841 4-Amino-5-hydroxymethyl-2-methylpyrimidine 28963.68771 24083.14204 29549.70736 20633.51604 28332.51799 28679.33121 23413.96758 26712.50174 20555.9083 16328.32452 19377.95583 7719.638584 16534.74214 5786.568767 12450.40449 7891.326313 8153.676159 14589.55958 26374.67337 21184.71106 27864.4363 27201.23641 22116.99937 21217.30608 21615.125 43668.62261 33470.57479 19850.78956 15674.36785 18354.36828 20886.06691 19091.51252 7096.614903 16196.63782 7904.818489 13325.16218 32784.71178 25548.55113 35553.03239 27236.80624 23031.91995 24033.41588 19736.60837 46971.10993 42133.6808 22330.01969 15338.95334 19788.08492 23003.0529 36448.269 16143.10841 22291.00426 26585.37126 20699.10683 2-Ethoxy-5-methylpyrazine 11970.19238 7544.157277 12032.5007 7611.489735 12484.31774 11868.72908 13046.53289 15705.01601 9665.714234 5.904756968 106.0318871 6.838247349 217.8158945 165.0506627 81.41548589 163.9786543 126.3817276 144.3112604 34597.30138 25488.565 35082.69411 35021.31738 49846.95415 43869.44463 28846.27572 54859.67125 41291.12047 922.2198392 343.017979 86.86309058 447.364678 384.8844666 218.7088735 804.1384829 375.7140114 124.7983782 19430.41205 26974.16287 28120.67716 33239.14486 37773.90689 37357.9515 44209.22131 47553.32806 50628.7832 27198.93214 18852.08189 23106.61129 21171.64939 15602.05593 263.8736515 21695.5652 111.6985234 21522.72169 3-(3,4-Dimethoxyphenyl)-2-propenoic acid 22372.72816 13640.06988 21244.37082 27958.40509 35027.49722 16526.45394 24652.90575 19192.38971 13297.20273 1575.146733 1413.064422 2029.617046 1442.271951 1727.935247 1465.519956 1375.506715 227.3552858 1034.699949 27621.16036 39576.30136 10857.08805 28895.65736 54700.02648 45339.47711 36664.04258 34802.24962 49726.01659 1611.250829 1537.167809 1485.123537 974.6978008 2345.136313 1390.268391 1878.821931 1042.096511 1588.690794 25360.05292 31150.9345 13261.90512 31469.80884 35678.63204 41821.65798 40931.83009 36804.15403 42216.41509 25967.5217 26074.57047 20272.96526 14965.05327 11019.21905 1878.778985 20206.72622 1692.677103 37867.37 Physagulin C 1.533179434 11183.14674 4.07813e-08 4.07813e-08 4.07813e-08 517.8546646 969.8337145 4.07813e-08 4326.284658 29162.4287 32761.48325 36562.53637 67084.94768 55260.5749 4190.844191 1625.57252 1264.350783 943.4759164 4.07813e-08 4.07813e-08 4.07813e-08 3.139887056 4.07813e-08 4.07813e-08 264.8033812 16.93300115 138.9324791 23262.42546 2116.450988 873.949915 210.5583216 1736.063084 23057.34182 53.29391535 407.8449808 528.3437217 379.9945772 414.7466341 177.9993111 573.1021182 4.07813e-08 267.5084667 4.07813e-08 424.6416908 4.07813e-08 3.692605748 24679.83836 2608.389292 10603.13022 29440.54018 11594.85781 842.0124198 107344.4418 7957.181555 Ramiprilat 9367.320951 8891.71505 10790.80997 8137.102498 8632.583429 7727.726316 6496.456766 13360.99042 8761.083218 5567.803245 5860.402717 10722.18919 5820.327066 10996.78775 18641.81051 11439.20269 17613.88862 12646.72907 12340.41552 9839.630993 7017.00424 9298.661724 8586.865733 9355.298388 11475.9883 9818.208297 11144.90806 14546.15909 13472.09198 16363.49292 16982.92242 13080.58991 24213.85002 17715.91195 17026.56114 14755.66521 15349.32561 9138.853381 12686.38902 11647.87456 10949.43113 13860.87781 7454.197242 11050.45238 9426.612765 7331.811858 6078.528282 7057.094214 9305.477878 11570.76527 22731.58942 8677.41812 12782.10857 7891.212271 Caproylcholine 13392.94604 13782.83179 10665.05158 17181.06521 15727.36413 15153.77081 19066.09516 13024.02002 10102.35142 6940.790637 6254.655689 7276.136533 6099.141239 8081.591074 7264.736166 7825.703436 5885.518801 7195.90478 11780.50446 11211.62516 10327.65014 10953.05065 31734.79549 12441.9738 14213.3096 12965.50757 10634.01765 5266.638872 6676.215658 8854.561439 6209.964417 9760.704855 10125.40126 6868.829561 7826.24411 10008.62039 17502.0058 10993.02336 10486.90827 9553.061796 10933.22106 35868.91202 10591.44097 12745.40542 11933.27962 8858.661121 8881.491141 10730.91747 12449.97489 13093.14601 10540.43911 12682.39867 7713.562967 12604.6582 Kamahine C 94635.71163 151691.9232 182641.0303 69829.49443 62493.89925 163799.2599 70643.1022 246570.803 248646.2727 1242.534715 632.1572055 14999.74602 1741.221471 16091.80313 16826.4185 6589.048527 16903.96161 15051.81779 243561.008 197309.1136 225665.3523 144218.9527 119837.5898 30029.82787 64369.76595 12497.12387 11359.07126 6896.454708 10892.91247 2143.740841 8981.023939 1774.87685 1159.762917 11632.10679 12823.16023 5053.551853 184642.4168 146879.137 242107.293 200318.5477 100129.438 130950.1476 24651.51438 13124.73097 5173.295202 322584.5719 281126.2153 207156.6302 206976.5341 120415.5008 35226.6131 243278.9836 8863.201153 138274.4765 Hydroxyhexanoycarnitine 5235.406337 12022.51506 7083.847682 6378.23732 9475.761423 7718.844438 8143.604877 12465.5604 18041.0109 110774.4651 137437.1785 160452.9125 106224.9886 158314.8049 160059.9518 235424.4845 119678.4785 221058.5029 12918.8266 9066.884158 11569.00644 6041.722717 30232.91163 10985.61029 11030.96104 8984.003737 11850.11613 77755.45609 139023.2623 168268.2623 135074.6174 172242.4956 105109.62 294061.6554 81651.64356 217947.1935 6339.237106 6526.820702 6868.966983 14698.15271 8197.178238 14602.57885 10970.99578 10883.42292 10769.91588 9239.86626 7703.350597 8670.116468 6879.4456 9812.175647 152357.4896 8445.517009 29151.62143 6123.879383 PE(6:0/6:0) 8559.361284 74726.53259 3187.153339 14024.12069 1202.524104 5766.161602 8513.693183 17722.16857 61283.69767 39661.27457 65950.52345 76502.61363 55605.37092 82065.94166 14015.89095 2213.665843 6867.131991 3039.735411 891.3005112 743.9504114 3439.12775 907.3591448 591.2090892 1039.386615 777.6833385 1737.806287 1028.94877 48086.5843 6429.328881 2389.855347 6711.870756 3744.671255 32701.39901 4110.087754 6362.396657 5549.271211 1399.5535 695.059631 3382.015199 2316.016516 1145.504786 536.051354 696.2052784 2904.391047 280.2077476 808.5029307 50507.97391 22668.61331 50017.67244 244350.3236 16068.32295 18397.13616 128516.4731 34770.4381 Diphthamide 6843.172728 3760.161021 8367.739842 6387.665503 10444.45367 8040.59346 14207.21118 8126.214951 5685.898592 312.3740116 4.07813e-08 89.71413034 4.07813e-08 155.4951679 90.74537131 0.071184711 4.07813e-08 83.63548905 12817.64852 26634.80537 6657.822911 14778.42905 30875.3191 35978.05767 26148.50491 22082.40518 29134.80554 115.335647 8.408429294 316.3216777 108.3203452 396.7066569 324.2302045 330.2684063 1197.193038 4.07813e-08 10578.29062 14923.69491 5552.755679 12054.84532 18423.73853 20803.72988 33431.09029 20441.14413 27784.44522 25596.81401 14407.57955 10448.2159 6945.055918 4812.422156 393.4536279 8203.427064 4.07813e-08 23592.54344 (24R)-11alpha,20,24-trihydroxyecdysone 1231649.614 2493397.196 627437.8331 832975.6934 200554.0409 284348.5348 740548.2621 491640.7168 1033603.26 55992.47606 55388.64733 48209.40443 57376.91677 39762.08558 40168.76142 22204.4153 27844.61827 49130.70379 41518.93098 42804.91374 636513.6469 174220.5553 10040.01264 7182.377807 308431.9941 23390.2952 18895.73558 39507.00453 42369.08626 52064.46545 58493.61316 58924.41005 47552.10533 78754.5282 43453.36854 30835.35329 1171065.799 309229.4384 393476.7934 67216.62395 20367.7711 14213.72129 7371.413642 21876.13303 17988.13348 14029.86205 210510.0127 273279.9735 698641.8418 1269505.867 60889.44609 582248.408 52024.4644 94952.88404 Myricatomentoside I 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 272.1378927 4.07813e-08 67548.53933 36331.03201 23961.45287 60824.44045 27664.61103 41822.22549 18694.21654 8519.162885 12437.16384 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66131.45709 55164.76776 26530.89406 54348.04115 48179.93744 53856.34597 77006.55358 24115.97268 27809.12369 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 62055.80171 4.07813e-08 40014.31926 4.07813e-08 Desmethylazelastine 3297.336013 2955.595559 144.2692728 4.07813e-08 4.07813e-08 1811.26472 400.9026073 943.7078326 1007.386841 121.6863535 80.1401174 66.65129472 4.07813e-08 72.92644805 4.07813e-08 82.81324201 663.3560618 97.28437421 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.18752739 102.954719 149.1913816 4.07813e-08 10.06245897 187.1140898 364.138681 191.9131858 4.07813e-08 95.12731344 95.66298206 229.646957 4.07813e-08 87.49307362 3253.376233 22.41575604 4.07813e-08 19.7999458 27.43796446 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 599.5394764 960.9313466 2874.68923 2303.910225 22011.43288 982.1852333 4428.144781 152.5252119 Isovalerylglucuronide 1985.970668 3752.998715 1462.316335 2238.683189 999.098054 655.698115 2009.04429 5747.382473 3937.528267 23468.07445 34692.42389 30143.05326 26473.25362 33162.59337 14441.88884 14558.66864 28666.34974 14178.53715 3581.433152 3751.044802 3408.256992 2427.732758 5813.592312 4620.288788 2890.68974 4793.442832 1581.592211 15522.68764 24442.94432 13295.24573 6450.058192 22482.60503 9012.436713 6574.793501 32456.49481 7462.660389 1377.482392 2033.822287 1387.741983 9617.69031 2685.346918 3394.122025 4523.322383 3798.89932 2949.574133 2461.217216 1409.911926 1806.152508 1836.906626 5506.607397 16615.2465 2888.870271 39095.76131 3901.649636 Tyrosyl-Lysine 4664.84857 4452.116086 1742.33645 1727.32409 787.2183948 2595.004099 2472.026318 5821.205429 6034.586564 15387.42656 20778.87901 10536.37608 15107.84337 7767.022587 14971.74062 24561.17764 11204.66634 13354.96364 4062.006573 2657.594637 2605.877691 3507.090085 1248.280695 862.5010556 2737.563889 5294.841502 2031.672958 4166.471314 11038.72287 14347.97532 18065.62497 10495.33806 15782.35221 26122.65679 10296.71908 13755.93781 2292.646064 2385.644958 3298.6416 2109.391408 2639.714874 1998.61477 842.110929 4051.126631 5002.952996 1508.534737 2052.676205 2087.698443 2351.830775 3446.947016 12473.09796 2380.471859 3362.320993 1891.125442 N-Acetylisoputreanine 7605.288903 5072.260661 7827.041957 7425.619689 6075.368477 11915.71727 24410.88913 7193.595731 5868.050538 2388.323007 684.4580928 2134.051396 2062.505071 1838.023861 83213.52399 428.4552372 1701.424031 3580.33745 7737.90128 5740.11298 4755.590896 8205.99779 8190.202353 7491.391727 5263.766112 6582.884419 8410.98392 389.1527196 1943.553101 575.1196144 2014.975307 1540.898819 28992.77775 1814.143995 1236.823742 1755.279462 9450.152449 5062.249476 6650.02481 5305.649993 7468.932398 8014.164846 6583.817834 6775.801241 6267.272444 9384.157575 7661.107711 10630.97345 6240.948039 5103.456707 24122.64754 8384.988971 1071.147724 11954.64745 beta-Eucaine 27134.97112 17841.31443 32495.05428 24721.52289 33913.33309 27786.59581 28453.76963 21371.02438 18810.85352 1251.449077 1587.322904 1302.408823 1130.001558 1054.302409 2996.609634 204.5930341 502.8919901 967.9506812 65688.13906 56033.112 49410.09379 56982.01033 67331.7566 64355.30888 57607.98337 82052.0384 84453.92618 168.5310852 243.6520624 1399.593978 525.7449943 1730.083975 1104.329313 998.0497044 335.6432514 854.696626 41196.04931 47226.96138 40873.32938 53764.98116 61586.67594 60017.10396 62270.18447 77168.84137 89402.72357 47390.95482 36194.1197 41151.15351 33263.59346 27327.26876 1636.922802 40636.85238 1144.80561 39798.5428 3-Hydroxy-4-aminopyridine sulfate 113808.3186 115483.5301 120911.4586 114785.5204 117811.4125 107943.4722 115613.6999 112409.5365 119970.0553 66657.51552 58465.93477 59989.35165 67120.38798 65116.98325 53356.78643 79820.68914 51032.28989 71891.92442 76616.01348 87775.06992 80027.19177 83631.64812 78943.16223 87373.29465 93052.08417 95223.7161 74013.98124 57897.29375 70138.48161 75800.74131 77240.01079 67475.77257 71515.01976 60040.31094 70438.08742 79019.35839 95456.21432 80476.5701 86964.86667 75587.11102 80821.48663 79129.18663 84063.63203 94340.9751 74090.99434 107473.5961 95190.71769 94202.38276 98213.33066 91185.43374 67292.32468 97330.73134 80321.56481 104630.7425 Deca-4,6,8-triyne-1,1,2,3-tetraol 37681.68104 29293.86812 38856.07803 51860.88569 69229.23532 23037.83444 41008.09515 30912.42718 23268.89983 6856.786718 6960.849218 6289.539659 7781.813355 5193.560177 4910.917757 3950.058534 3450.429115 6116.831267 41477.32347 57427.63251 21266.09855 48646.14871 87742.4882 68971.05232 57638.77338 64625.63145 86686.29925 5578.408694 5411.792901 6537.960982 5850.194234 6834.863558 6906.317444 6458.272588 4257.794964 5396.634196 36788.33384 47382.82649 20056.24715 44927.41407 59340.67851 69740.92122 62085.17096 64497.39019 73088.1148 38759.30145 38062.80331 29880.82978 24474.1417 18370.84305 6608.300541 29162.83587 6657.701599 59479.45274 2,4-Dihydroxytacrine 661.8616703 738.9264776 785.3707481 1360.173914 1924.103095 959.8810582 3149.538255 1738.886083 997.7920507 2077.379635 24104.87762 16063.22828 1623.727496 6722.800577 195.5507359 2537.892958 479.9229408 28191.3254 2342.037097 3250.175062 1141.652577 1613.371149 4080.660057 4125.492286 3577.410343 2989.697709 2824.336869 213.0066906 2520.347259 18466.11134 652.9325002 12857.34064 276.0033589 286.4459123 75.15158681 1722.507294 2580.573992 2266.366694 1009.611883 1723.3677 1944.573698 2311.869779 4413.327031 2105.761796 2234.199979 3763.696687 3181.592028 1795.815284 913.4267918 1257.563888 2039.837734 1309.048488 21096.08196 3971.477533 Methyl 7-epi-12-hydroxyjasmonate glucoside 1828.347643 2914.271969 1259.32847 1477.188905 501.7949126 357.1337581 1929.588735 5259.106199 6193.474603 96984.35058 151137.0002 98062.05814 91626.03167 50598.685 194322.6714 173262.895 118042.6145 75666.16459 455.3828065 217.840518 2976.303605 140.4879491 2924.604107 1832.792672 514.4187492 820.8793462 2861.999096 49273.67503 137261.9643 39064.11279 128396.0849 48567.73168 125958.9936 159036.9274 101703.217 53078.34119 941.0274798 525.5606239 1830.981916 3668.11761 703.9348537 2266.467164 1400.982677 688.0390702 2112.804406 393.2143505 355.8991044 815.0012096 1703.496048 2982.822269 56864.3498 228.5639589 24624.18384 277.8689154 N-(dodecanoyl)-homoserine lactone 17332.37179 11233.97109 13910.29956 14083.75924 15743.11539 12473.37467 12968.23068 10897.65375 11028.91119 349.2783319 651.7191723 288.5822165 513.7968096 496.3162804 183.6627101 1049.290057 423.8482718 391.6684528 26422.86427 25465.21512 16118.70102 20237.00417 33244.66763 28505.00651 22083.29792 23660.27791 27718.86463 374.6115513 404.3338585 247.2036306 482.5251976 703.8118304 613.504003 656.9959552 922.0687573 605.3816756 14312.29344 22511.65418 12498.58095 21758.29296 24581.47638 28597.80635 25175.93006 24334.33077 27604.18804 24861.80608 14381.15136 18492.34926 10498.04522 8186.233151 140.324435 13897.46061 894.7302144 21404.39094 (E,E)-Piperlonguminine 4943.206338 3643.88199 4580.979695 4982.600049 4078.484068 5666.056068 5262.500996 3828.770123 4050.972655 818.177237 543.3881129 732.0242639 695.181643 740.7489877 349.889772 1189.549543 798.8795787 824.6544566 18404.55936 17448.33843 14833.72032 14451.4705 16794.5309 19200.60092 15599.02904 19542.13806 18751.70804 934.1687419 1492.78954 966.1386795 951.3147443 1624.33999 1349.437186 1222.572267 387.7542574 790.5883734 11708.25912 15398.05241 12498.549 14921.21669 17128.46673 17231.48987 17034.82687 18389.59834 22775.5274 14085.63154 10151.11408 11881.44592 10382.58981 8278.932935 2199.626433 11879.96898 1495.631918 12864.47983 5-(1-Hydroxyethyl)-4-methylthiazole 99365.07168 59141.09278 31996.68755 108241.8874 93218.38709 58302.5928 55458.74982 31533.94711 27987.54301 22433.9976 16382.47199 24594.09821 20495.8727 18379.14881 12205.24716 25627.80242 17153.57247 18232.32235 23000.59948 22586.91451 43029.06742 21720.93382 62256.75342 83489.46234 23954.23601 26749.64364 24399.91035 15042.33162 16632.83633 17701.04535 16661.37559 14078.82559 31718.54162 23275.35079 29969.59358 20944.8669 24573.73588 21796.85876 60937.93281 40180.55118 23928.69048 29562.96258 101735.3048 28494.20701 29732.94351 21846.42015 22998.39559 22555.75171 52288.99946 58752.07352 15420.75839 46548.16447 21490.22327 32089.51718 Pentobarbital 26797.53436 24941.85833 24697.11565 18353.81821 26481.63217 19518.58082 18516.21851 22057.56176 21247.56436 321.178067 392.0886076 629.3459918 549.6202714 830.6963232 533.7392929 141.5090489 327.9414701 412.4551434 58812.80351 54877.44071 38521.48321 40115.07433 29972.51622 40382.45926 40409.24688 53879.85119 46931.61163 760.190935 664.4604573 413.6025313 486.6071265 1036.240393 977.8457116 603.2412434 260.8402946 242.9305489 42796.05477 46054.62047 32935.50091 37580.14666 36294.10921 39724.15742 40565.15517 59472.02533 32450.81611 42083.47482 26326.89935 35751.15055 36243.51022 42788.97249 406.4384638 43541.42796 493.6186368 34007.90435 11alpha-hydroxyprogesterone 11-glucosiduronic acid 9130.944153 92661.12031 1310.542742 8165.877609 4.07813e-08 7845.377664 3348.552963 5918.146529 57636.51217 235129.8291 296058.7172 187436.6357 626340.4078 467550.9116 52583.86715 3055.431523 2782.636435 1745.680937 376.6440207 711.1191603 643.3262693 4.07813e-08 270.4605779 240.7464958 694.1544342 302.2768427 633.5596559 273606.9225 4304.868634 3093.8606 2235.119129 2867.685828 188280.3486 1315.43161 2029.618635 17340.59793 131.3595835 4.07813e-08 1263.070866 4.07813e-08 457.6018429 267.4200103 402.8796393 563.1528699 299.5175483 1678.547679 203931.5775 21207.99361 100453.4929 435080.7807 99653.5806 33962.63813 2241470.744 230546.9581 Bisacurone epoxide 18782.31255 16489.65894 18781.97077 19074.37687 21270.15154 19578.24231 19910.89925 15043.99336 17258.49292 4593.442843 3194.781873 2126.329311 3314.078965 3379.210735 3331.869042 1881.901418 2618.029183 3388.975896 23941.53607 24199.45107 22123.64264 23289.79462 24457.81501 25215.09143 26361.65169 23274.14968 24439.5005 2051.427947 2357.141038 3037.683882 2486.286922 2486.333779 3462.890807 2511.480465 2031.343601 3059.947992 20104.20578 21896.76328 18656.18483 19994.68239 24049.26746 27265.21248 25225.33879 23940.47897 30038.2498 19958.18935 17614.17284 19117.74113 14393.64277 12765.22106 3893.481218 19370.55385 5323.743911 21106.86489 Hexylcaine 13651.92084 10154.77433 14387.18223 13836.25764 16366.20423 14898.07531 15332.88098 13913.00563 10934.73182 49.48053407 192.0995074 54.93599366 235.0633165 55.81420813 401.1731215 80.92780587 402.8024217 171.3830127 36901.72238 40774.36214 19057.56724 29866.64143 37982.87118 36164.21971 32664.28465 39436.39568 40603.27755 119.4430649 169.6546448 228.2412452 114.5843441 116.7549766 257.2552531 158.6350695 83.447827 190.4961303 21406.89863 28536.40875 16857.26126 29730.1258 33705.68568 33676.47086 32575.60773 34310.34241 45064.31155 25966.7265 21780.29058 21215.71952 18217.3605 13215.34952 243.6631664 20930.75209 301.0118188 23871.91066 4-Hydroxymandelonitrile 3812.375362 3984.280804 4211.040642 3724.954902 3709.404878 3257.635631 3676.140049 3379.573181 3346.348834 2573.129403 2224.540647 2396.212271 2622.052714 3118.241549 2229.199527 3380.471024 2448.400953 2957.402496 2554.655226 2580.464089 2730.225924 2962.469805 2546.547437 2740.094665 3425.433571 3752.534031 3256.26627 2423.134946 2631.231003 3132.888612 3381.341546 2573.46424 3091.920073 2401.452884 3073.365999 3394.711916 2899.468923 2936.712027 3260.871368 2713.551165 3027.832287 2851.138992 3039.881346 3491.900353 2941.541343 3120.947724 2964.676301 3076.973652 2978.32188 2973.435576 2394.734222 3116.466826 3448.80422 3372.587239 4-Amino-1-piperidinecarboxylic acid 14352.30083 20846.55975 11516.82146 16701.04692 14694.38117 16098.03994 12866.28167 19043.14708 16681.17012 17577.51462 15949.73566 12507.72698 17761.16866 11768.92004 12662.28556 6555.953048 7081.622801 18779.48055 16443.03467 12528.81487 17259.3491 16137.30397 16309.76528 16538.9828 19382.40585 15822.41758 15895.04683 14460.04297 17138.93775 15952.75118 13997.20901 19397.24825 14142.73038 19982.51691 8141.367672 10364.28444 20387.05741 11929.84721 14222.82207 15385.0254 14443.11351 16751.23305 13640.68639 17814.37425 17214.90593 8046.264622 8029.577145 11100.24277 14242.88259 18062.80342 24467.53298 9898.073579 14076.85294 11450.63682 (Z)-3-Nonen-1-ol 4112.891031 3486.592577 4199.220777 3294.740555 4417.115019 3355.937587 3068.676411 3202.109957 3098.531362 2350.265939 2341.573483 1621.755751 2598.559566 1886.661415 1779.378735 2879.77508 1941.774146 1760.777178 2498.956802 2235.518009 2825.029653 2368.544268 2453.695259 2381.069089 2473.23141 3242.103273 3228.303234 1414.411434 2206.071844 2460.182183 1803.447826 2401.659036 2003.948916 2041.431617 2553.041027 3010.684036 2628.523353 2210.298802 2629.840761 1725.672409 2688.761029 2551.599607 3147.000047 3291.684554 3237.677212 3269.552389 2546.279721 2790.89158 2186.365404 2661.870898 2400.723728 2789.374418 3865.744914 3545.979101 p-Butylaminobenzoic acid 21571.65999 13765.71262 19518.1469 20352.44594 29583.00127 15473.04763 19543.14255 21451.63068 13594.89043 3684.742625 4192.766629 2600.756055 3994.365506 4069.056611 3340.684364 2809.962612 2503.965361 2762.643726 60944.32086 45738.69906 29729.57594 47470.0802 59790.10577 54565.43411 51678.07146 68351.19298 70031.52331 1848.518281 3096.732095 3317.667281 3104.407719 2967.935258 1910.903013 4015.23534 2684.340551 4557.045365 34421.08456 36887.39232 27779.39004 49067.43357 48368.98968 50695.59102 54466.40892 67721.15434 57040.33625 27431.63965 29911.9815 27683.98448 28388.10646 20499.93826 4028.533698 29701.86527 3115.48299 36829.22289 PROPOXUR 16424.21251 13648.0385 17786.28303 15568.88206 17070.12195 15835.94694 19878.92472 16614.40698 15383.88457 20180.34289 15857.6302 11807.26036 21420.12724 9743.158009 12820.52418 7183.066581 11041.73446 11600.26607 28869.87134 28882.59277 23140.07427 23571.13962 32526.18902 29091.81448 26400.63467 28690.28257 33252.18042 13196.29539 16663.54474 10204.43404 12918.81311 12002.02421 15308.82566 20738.59178 8569.684744 12027.05147 18044.96637 23838.04253 19293.18395 24205.74148 27516.67043 28189.22487 29815.19677 33019.56056 32829.61479 27057.94589 21866.68798 19047.36858 18636.54876 16310.69958 16289.93911 21044.3418 6931.369896 22875.76729 (3-Methylcrotonyl)glycine methyl ester 9832.930888 19841.0216 13146.14401 10408.5216 10417.91064 7621.860105 7237.443068 10189.26115 10541.75196 10267.87318 13108.69037 8510.628403 11353.02538 7508.167039 5186.758966 7965.370474 5659.536894 8206.929615 10568.02807 9703.002039 21097.88161 10761.08574 8895.058855 9124.537309 11162.64341 20024.10987 10102.09242 6578.170547 7114.210919 13580.48262 11328.44682 11427.3508 9221.541232 15812.06698 7015.217416 16703.7445 11828.22981 9991.924259 11998.43485 9419.229047 8191.236062 12498.88884 9478.903347 21039.90564 11301.37201 9765.726561 8894.980283 9593.779046 10562.2763 32161.44034 10427.40557 12481.56343 11371.69489 9215.03655 3-Methylene-indolenine 6319.612171 4201.28749 5670.608021 3607.282063 4808.216378 4251.262427 8006.178368 4539.442253 4156.74865 409.1327911 343.5077628 421.8585206 364.3387523 577.1963012 366.4769794 405.3623496 563.9681368 494.2362588 3984.906369 3120.793055 10149.55282 2792.092799 2947.760229 4145.844682 2435.199145 988.1948163 2698.082356 522.0375239 561.8208608 428.2028523 598.3402448 394.9930662 507.946279 476.306313 669.2959103 361.6070377 4161.643655 4702.123055 5854.106575 7019.341677 3158.683049 4019.21007 4401.930623 2348.319477 1349.424524 8024.808908 3700.714984 3737.307565 7831.687171 32501.60161 571.1365795 13331.32996 700.1416344 5748.78048 gamma-CEHC Glc 7760.482975 5749.953738 2677.336484 6673.527178 2908.697237 2316.377458 3968.763691 10047.55056 22281.21323 11703.24579 6761.7146 24514.96325 14440.66672 8131.887787 31655.90892 15483.88936 34683.51438 128800.6858 4.07813e-08 4.07813e-08 726.5156348 4.07813e-08 314.3158645 4.07813e-08 134.9022383 4.07813e-08 394.9818987 166417.8264 28536.36034 33014.09064 65321.78169 28994.04413 58216.46329 48164.88502 33592.76386 12353.63942 7457.889743 1035.842021 836.3313588 960.625561 199.8948183 360.5280992 218.5741762 4.07813e-08 4.07813e-08 128.7412087 2889.024528 1733.490471 4400.186132 7044.07433 11305.52323 3337.636216 49682.71728 268.2951687 Ovalicin 61325.31586 39886.15301 30582.63396 36897.18123 26880.00206 13502.54772 25846.62075 29761.69267 13505.90002 7113.10221 7457.224422 5383.629704 8767.027596 4882.840747 6371.582197 3448.136783 4585.473557 5033.554971 82655.23512 19904.62828 69228.32984 63633.23506 13421.49628 48672.25421 33422.15656 10531.11723 19779.28692 7475.464276 9087.731061 5488.277167 8072.784274 10883.06092 9294.372612 11046.27684 5818.530354 4539.362843 68021.40765 34964.8088 57481.85116 31850.5391 49021.51145 31286.61376 47782.7612 10194.42908 26226.18269 14129.82521 19584.85899 26927.69666 38262.44412 39161.87714 10116.75633 35963.26532 8868.376501 23418.10792 4-Dedimethylamino-4-oxo-anhydrotetracycline 124209.8664 39013.94974 112259.6972 63894.36699 72438.69269 86645.69707 73147.44437 58095.86543 65771.83801 84.60440053 62.28306978 0.318327328 121.9704508 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 214514.2725 272538.0606 227509.7462 108306.0366 146258.9966 180255.594 229727.791 359453.8257 243917.6512 4.07813e-08 40.65420865 233.7635246 128.9201562 158.3145475 39.58394532 111.4614835 48.97090171 4.07813e-08 56191.67069 160229.028 81661.06734 194571.4153 157686.329 65059.28282 166527.7922 279685.6869 503543.8346 90643.86421 110532.6798 124741.057 52049.50572 39247.31578 137.3475637 82041.19424 181.8434483 89100.809 Pramanicin 1028.635047 3030.160737 4.07813e-08 12.5096557 1922.589263 2993.517124 3046.18464 6896.633644 2222.867113 2394.582985 3173.173346 3196.983971 2056.528629 4111.053802 8221.170713 2586.858698 5953.165235 7201.855845 253.4551215 29.56885144 4.07813e-08 163.3899153 4.07813e-08 268.3567737 68.32131531 294.2326212 464.2068804 810.2073889 1819.778261 6213.509075 3364.911068 9555.705713 2166.64698 1193.874122 2350.855053 4136.973009 2841.43648 300.0843057 268.4287385 39.92374904 11.04570177 43.85258157 4.07813e-08 43.83259499 4.07813e-08 683.1331085 3515.918997 738.5666885 3935.293095 7794.914956 55364.00676 1910.442974 33224.518 6872.679393 Erythratine 64425.4646 71171.1487 53767.60688 62154.35684 57806.7872 64158.00342 70760.12502 56636.58238 71226.50361 11442.925 13300.43613 12574.81733 12284.87944 11504.38593 12551.76239 10804.67645 19781.71979 13992.72958 65952.14241 85697.66053 44823.22964 64343.96578 91228.0613 96262.3337 81197.71461 85983.58052 98308.17322 10436.77387 13480.76616 18162.86189 14357.87878 17585.42113 12121.58354 13203.88485 29556.30888 10310.11244 54277.55688 61502.72819 41545.39317 61665.07422 70104.14127 78023.16021 89782.88409 72758.32655 116613.7732 72730.77938 69847.38072 60398.64535 68260.00018 114923.4389 12242.30046 58170.0265 8638.200944 77536.22061 DIPROTIN A 85261.69727 65644.64371 62369.57643 104310.2727 94226.31842 105403.3803 86058.54987 86790.72934 92214.4552 20619.12232 18597.34675 15786.40837 19792.58242 11982.05343 11354.63374 11285.01992 11263.93366 5449.710959 38606.96621 30976.10582 61103.71136 40402.97539 54711.87648 50470.56954 51524.8424 31160.49035 61558.69479 10540.14514 12958.2448 12022.57631 8521.980251 11102.52487 14573.21551 12026.01355 16908.2935 8500.146848 38074.89084 49862.40905 70329.45634 74821.43807 49634.9946 43198.59899 47159.72767 26659.8776 51362.03944 36658.98834 51239.34072 54701.14422 61658.14957 82084.38538 10792.43508 52130.07236 12775.47813 29293.31979 Metronidazole 55870.14625 22617.80307 17529.38292 14420.88479 21410.06775 20111.25018 15833.59922 31616.14015 26118.14562 10814.76047 7900.393793 2762.03716 12301.36111 4451.320753 4406.022905 1163.408618 6414.577595 9961.533798 25900.60062 14976.17613 13536.67401 26557.16238 8987.648661 2947.803561 40690.43742 20205.72618 30730.09928 8992.43853 7312.272274 3095.360087 3555.260453 8695.711101 7802.378035 5512.231245 4.07813e-08 3734.090561 31573.36196 23984.17415 26125.10432 16863.31592 25777.09718 15357.70175 3700.303099 19072.65975 31148.20907 7462.239419 9202.362866 12894.32616 25198.73666 27421.48873 9099.466158 23410.55265 7759.864434 17062.05527 3-methyl sulfolene 1169458.365 1258982.281 679960.9845 839966.0421 593019.8631 736429.3074 1133395.74 1931355.046 2593171.264 351090.112 450264.1486 663355.1855 393383.6474 296774.4287 422234.2493 396777.4518 450580.1388 877557.628 343747.4468 309742.2957 376409.6911 159230.1136 274653.8756 428675.4626 314515.799 234954.1482 374103.9415 1121373.31 474357.5444 483795.4819 921545.8614 459014.1927 579281.9822 431644.7004 513168.2866 411168.2008 423714.678 417499.306 488415.7889 496209.1653 348037.5884 262347.2235 513709.5555 328529.402 189433.2523 673795.946 818583.6797 848146.1153 837364.5661 1029228.167 311666.2773 991990.9254 975545.1463 647317.1316 Nonan-2-one 4901.315561 5788.97502 5867.987422 4903.788964 5649.391529 4312.034357 3807.644881 5039.168561 3986.654187 3691.991782 3322.595349 3205.42346 3665.867167 3369.517623 2379.619399 3954.343899 3234.909255 3401.858417 3243.939263 2896.312978 2781.473309 3281.244703 3037.78919 3120.738502 3367.200661 4865.718255 4500.777312 2864.663768 3799.276219 3415.597074 3419.785888 3159.789303 3344.76806 2710.912285 4302.868002 3676.885386 3981.948598 3292.944865 3520.139035 2265.444853 3652.527438 3682.11361 3341.735847 5078.093614 4069.405764 3482.067623 4118.226003 3143.070155 2789.563607 3797.523583 3055.496731 3734.706943 4405.039278 5957.608559 Hexyl glucoside 33072.40244 12725.91668 53061.12886 23360.56427 38999.18916 49701.42279 56775.67786 19233.78464 18837.72654 342.2262681 396.2593918 1.251872565 630.0611414 18.43474871 172.5276179 527.7256535 852.1926873 633.6842449 158557.7642 117516.468 86483.62284 117096.6324 150960.1085 141565.9796 155663.5941 192857.7337 241275.9955 10.57130484 1283.655809 164.6386407 626.7019882 521.382064 332.8065433 765.3211665 232.0407859 108.0558801 91001.72121 127333.9725 72345.56782 126765.3258 131333.5942 123789.459 151299.8842 232751.0468 135755.6359 139022.9996 120501.1025 141617.5293 111405.7535 84545.21572 968.0423915 139321.4868 351.5983696 136165.7396 4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone 23223.03569 26257.60087 20643.47257 17718.86807 21115.32099 24315.6438 24436.98281 23586.51138 33313.01861 4108.286288 3977.683928 3631.947281 4960.455934 2120.358945 1988.85141 1950.563179 896.7796303 4818.688385 20929.76438 26209.97809 24199.27686 21084.76046 31441.60087 27818.7572 28371.29782 21831.04565 33399.48862 2324.841887 3561.725532 2195.305067 3641.545033 4252.436902 3503.388169 5655.945622 2281.314563 1728.031112 13208.20651 23131.63572 15696.31856 19608.94489 23323.82378 21585.28327 30791.24933 24319.71643 33408.62647 25942.1102 20753.82355 20833.08856 22103.956 23978.61398 4063.787789 21903.95071 3954.799131 23179.7462 Syzygiol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 194.3210948 4.07813e-08 4.07813e-08 4.07813e-08 54847.88015 40749.2497 27424.54957 57426.55331 22692.84834 26560.84407 14320.92508 26429.75923 25208.23391 4.07813e-08 4.07813e-08 4.07813e-08 203.5564964 489.8905691 430.5102041 4.07813e-08 4.07813e-08 4.07813e-08 32328.37916 33370.14918 24216.72278 24615.1662 36939.5385 15155.00214 30996.04086 17476.88992 17533.49576 4.07813e-08 4.07813e-08 201.7837396 4.07813e-08 152.9548804 4.07813e-08 17.58610067 276.9856769 868.7517843 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33246.8757 196.8394752 39899.8867 2106.24827 Acetylhydrazinopthalazinone 9289.806189 11669.12562 18174.03705 27205.86708 28368.65253 16079.24246 14939.70118 9181.73918 7786.534729 4069.362623 5443.448478 13640.13157 4051.831575 10857.44006 5180.67959 7379.853103 1257.354269 3826.893909 16127.82411 15277.3637 13810.4187 11160.90807 14506.13468 15147.5872 13267.19419 15617.21852 14727.14366 4596.346519 4109.631189 9134.336407 3394.055707 6584.071038 9029.634458 5637.177064 4256.399756 6603.322747 11137.14487 14504.15649 12187.83338 14700.09744 13294.68423 15647.11928 15028.65223 15872.64354 19553.27589 10068.34757 7847.318666 10130.75237 8829.829157 10143.76249 5292.804753 10429.61652 4010.242275 11672.1593 2-(3'-Methylthio)propylmalic acid 260512.006 250105.1673 236273.354 242074.823 224111.365 196306.242 204837.2616 208261.2428 226090.2905 153615.7581 159499.2875 143147.4321 146895.1832 154531.9041 125253.9032 178118.7537 137034.0504 165000.5586 162922.9355 165019.1944 152094.8007 155523.7174 141087.4292 148302.5547 164062.6603 197780.8398 179268.4195 133430.996 163551.187 166064.8426 167761.8235 145692.7198 141894.4591 139593.4861 174710.8343 177973.6336 190995.8415 165919.1656 167485.6215 143321.345 131652.6026 152616.6186 166038.6177 199726.0374 183014.0521 187275.9628 174059.8262 169044.6612 171510.6699 167281.9825 132378.0486 188217.2359 196464.7376 208737.3802 Quinoline alkaloid 4496.404651 2597.764823 2838.734208 3559.614313 4206.418997 5906.867095 6210.344385 4158.384695 4065.066686 964.3782114 883.5130904 744.3428824 951.3370683 239.6807453 377.9301212 139.9410177 1000.3922 676.9378542 10376.70777 7427.325173 6008.847844 8262.03938 9262.106101 9008.243692 9778.310382 10704.96928 9438.147926 567.3933955 737.4060922 714.3490339 534.3381179 1057.647238 745.6297757 947.9595764 254.1143954 500.6310464 6532.935975 5835.764897 4448.762368 7726.445003 6816.617259 8663.329059 6329.308432 9584.055031 11181.95036 7102.451536 5946.956624 5263.406545 3421.829702 3545.333257 1335.899161 6122.518263 1440.119986 5775.076092 8-O-Methyloblongine 15244.92541 8537.907187 14068.78685 9858.215205 19585.6366 18556.45796 19131.69921 16902.34915 18454.38158 6108.616254 6669.886707 10144.92832 7174.186506 13479.91483 12634.11259 10160.11543 14872.23459 8337.585753 37412.89785 50258.85926 14965.58752 33200.47747 44000.50836 42008.56849 51082.02019 38996.0841 33256.66419 8471.500718 10411.50528 6592.039679 10095.63983 9858.727475 10142.97179 7187.320437 5022.825176 12201.69031 20028.64265 28991.63387 8753.897769 21378.18038 46369.60306 31490.21357 28276.36486 54511.76451 66068.36191 38264.13111 28208.62021 23887.47852 16834.44813 9346.849295 13552.03802 17123.27242 6559.89477 27016.72942 Tamsulosin 24964.42924 28862.56651 16045.995 41220.36501 33313.80206 71866.38373 42970.77981 47092.51546 21757.74791 33.59564847 153.507575 84.21587215 86.05796257 120.7762817 398.4572082 453.4322277 27.6816028 139.6768719 10850.62828 15657.42998 13307.09922 12200.61382 10197.69136 19501.94029 14405.16195 16891.07401 10087.84592 140.0936997 100.9367182 479.884485 81.86142426 210.1393867 28.40741344 50.75786327 29.87901923 5.234502098 19766.26058 16288.03392 13353.91555 21645.15755 14815.47938 13263.69212 12911.81378 16370.88635 7053.93896 28192.17401 10207.86833 27282.13397 21581.80024 20307.15787 7747.818069 22400.79544 4995.099363 28002.52782 CDP-DG(a-17:0/i-24:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59411.04834 92218.04154 28319.60297 96925.8501 56720.03646 11325.79457 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.191505198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65535.30978 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50393.13694 403.2257612 4.07813e-08 635.1538487 4.07813e-08 4.07813e-08 775.8590496 4.07813e-08 1113.1442 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1325.512251 4.07813e-08 4.07813e-08 40881.07989 4665.261868 4.07813e-08 449282.0455 4.07813e-08 (5Z,8Z)-3-hydroxytetradecadienoylcarnitine 24792.1286 17068.55109 18317.0346 22386.41072 30873.21547 22870.53448 36219.56648 16644.32342 18525.99014 9479.639668 12403.79662 8517.457299 9958.902159 10009.20078 13325.77669 7848.809348 2056.199674 9946.812899 49709.44364 44774.75146 12895.93152 30231.96917 60961.0138 52557.49487 50852.74367 45582.10991 78879.44016 2809.365169 5597.991777 7630.34229 5548.332272 8970.853164 6907.821015 5486.448038 10992.4117 6267.679802 25512.70172 25343.8182 13205.57318 32919.89443 41545.4536 42567.6883 52765.62651 43202.37587 53348.31338 51059.52401 29202.97193 24032.59014 18334.66129 12312.64041 7682.792304 20219.00258 6348.013188 31936.32963 (3'-sulfo)Galbeta-Cer(d18:1/16:0(2OH)) 15547.73448 26873.78987 861.9406343 4.07813e-08 4.07813e-08 5173.995886 14.57993396 8881.999155 41632.63366 8653.249495 4.07813e-08 98857.55342 21443.46826 591493.0692 292931.8383 9894.136268 80864.50689 2604093.9 33.63108248 4.07813e-08 4.07813e-08 6.013527415 9.429250999 18.96841022 433.4116626 36.11772972 4.07813e-08 4.07813e-08 19355.28536 360.1107859 21455.56428 18315.69369 4.07813e-08 9083.705559 4.07813e-08 3058.460154 19.5061347 4.07813e-08 4.07813e-08 32.33195748 26.62365279 10.66659034 4.07813e-08 4.07813e-08 10.01958649 22.82081396 103900.5229 8798.320548 141073.9049 23633.15731 116701.2193 11652.04909 390.7481553 19302.24085 cis-5-Decenedioic acid 63015.62861 63248.31633 68349.25075 64240.61576 65897.61611 51759.85273 52479.01931 50639.25265 57751.27931 42881.96071 38319.68881 38275.04236 42347.38156 45152.50101 33829.35707 49539.7696 37223.22815 47860.83446 40397.36666 43117.04667 39843.78873 44999.5847 41051.8658 41094.93901 50958.80294 50295.39297 50794.0509 40463.04939 40547.35356 50760.54608 48413.43383 41210.28171 44156.85811 36237.49761 41609.39221 52590.22881 47672.12341 40556.00522 43604.82289 40390.14794 42093.41849 43454.28441 42851.61193 58307.81622 48079.67916 47871.79988 45835.96718 43444.68981 47156.57637 49780.90925 39386.8242 47722.89468 50073.63416 62895.76725 Quinalphos 55910.84627 55335.45983 75102.43503 67694.72257 69279.26144 47179.00562 44516.73799 41918.90698 44479.29818 43016.00431 32464.97642 32085.35205 41870.60655 44468.75121 29196.28378 43683.37257 30721.05653 48760.28162 36108.36513 36023.58374 36043.20978 45940.34408 40197.29158 39913.84773 46226.79562 44233.42794 49105.14929 42550.79389 34248.04886 55062.26392 48385.37464 40199.17909 42556.71253 31492.52951 37267.91754 53008.17162 42109.50277 35505.41616 35653.10616 42120.57435 38565.07155 37005.2111 36783.23843 63919.82083 48481.8137 41714.25643 39338.43155 38427.81758 36948.04529 49507.97513 41336.59941 41320.55435 41145.55595 64894.9686 Dihydrocaffeic acid 3-O-glucuronide 237803.6298 225567.9144 312308.4116 306827.5601 218381.0432 253585.2367 330597.2965 309002.2517 188938.6615 16679.57313 17159.2583 21079.14035 12515.99707 28326.72717 31901.45949 3592.690878 19707.303 754.0773981 40704.56213 57706.84939 28617.18392 47751.31984 16132.83448 23670.80799 30597.50951 35155.77658 54021.16772 36566.54483 37981.90343 6909.007821 58374.39831 7353.109825 7645.822502 54812.02278 33222.91523 17325.40469 66013.23354 145324.042 132095.1095 38631.68741 36378.10924 26018.8617 20085.03027 62322.77652 6603.367529 69776.82329 54159.42463 120765.341 125941.2554 91449.5178 10683.22123 101153.106 42055.67493 157556.0826 cis,cis-Muconic acid 1743.381878 1559.304337 1493.234192 1318.05164 1825.290673 1100.507216 945.1294231 1015.093324 1644.720819 1130.646761 853.0510076 1284.394805 1539.796159 1440.652317 1137.833795 1325.223617 1502.852219 1292.386924 1094.720327 865.0041172 1160.967553 1057.04013 909.1378684 692.7053636 1303.622361 963.8417635 1051.079862 1174.11785 1181.402981 1725.861245 1403.120378 1122.648556 1312.564768 1525.878917 1246.181366 1202.244279 1624.436286 898.6454408 882.9766682 855.5805676 826.3903572 1178.771659 1082.609368 1324.395144 963.2450514 1147.061708 1091.513748 845.099698 1170.789798 1105.02297 1333.21772 1023.302004 1238.67217 1588.125466 Bicozamycin 4.07813e-08 6073.658541 218.7258364 87.22816472 711.8652599 1727.026324 580.1899071 1892.231394 1680.52554 106499.5526 79819.10709 49609.79703 110756.3582 36177.86405 59761.02358 39818.44183 51698.08425 79395.12797 3540.329353 6417.972166 1047.690687 1413.366768 1133.363802 997.062761 159.4441525 1425.564123 1633.931823 70736.91015 63677.43347 52573.09892 56290.49094 65572.08907 44536.07399 63071.31995 40755.69221 50748.09116 183.729803 2189.724887 393.5536474 604.4144345 658.690324 1780.977252 483.1245156 2545.550778 7616.263712 1357.426106 2576.944974 106.9453909 548.7356113 7836.10816 69176.45372 840.6695486 70530.73706 491.770474 3-Aminoquinoline 709.4982732 363.0305575 1057.398092 706.3011784 1051.523535 820.2472341 556.007263 842.2960142 555.111866 255.1500776 418.4195077 578.5184589 238.1815979 198.6794334 548.6752083 406.0511303 99.79026981 115.5893411 1687.48501 1570.253005 1613.29397 1282.931517 1469.946018 1365.852545 1617.405507 2613.721846 2400.42639 600.4925943 301.2228687 570.3037129 471.1050194 815.9298382 996.8448031 774.7151849 423.5925475 388.7390355 1228.240154 765.6870746 1361.903489 2141.227251 966.9514081 1700.066043 1155.757882 2915.156278 992.3225242 876.788274 839.6217237 1448.322486 1246.934387 1364.111109 444.0314421 1405.910827 367.1365474 1118.761594 N,N-dimethylhistidine 6349.634514 4649.430151 6110.64619 5505.797257 6756.95275 4936.440094 7904.796715 5720.677002 5011.448514 527.6897097 721.8506112 569.9512551 501.4467802 664.2614412 199.5843839 953.2681813 594.1309003 474.0558395 7383.824469 11470.37836 4574.624439 8818.143746 21311.94759 19675.56427 12451.41122 8765.973778 15238.49075 260.3949036 491.4398681 659.770583 792.2549479 543.7037775 628.4514921 297.8437725 669.5796601 1022.057974 7038.246365 8674.678468 4700.402445 9943.702457 11038.36776 14322.18429 19714.12388 9127.642569 10368.67236 14005.41764 5317.779607 9184.609478 6035.223884 4687.723026 599.8681078 7275.025163 743.659291 13619.9627 Diethyl oxalpropionate 7985.663334 17828.74004 9436.345776 9030.256837 8505.15718 7627.226622 12505.08719 9990.09348 7512.117343 1591.130028 1743.985945 1447.159392 2236.972892 1187.437363 1598.429705 1035.145497 742.3599963 1431.573848 14908.74565 19076.88627 21980.36896 8462.553128 18362.68102 21163.10177 21635.35512 27266.2765 22595.51077 2158.27403 1305.68686 2800.78494 2133.890701 2487.669352 2522.121139 2597.302364 1285.876908 2440.255317 14249.05321 12947.57156 12868.18611 14570.39458 9030.537539 15841.4553 17944.02813 29372.93342 12659.9221 25048.09654 13804.98009 14286.09611 21744.65163 48833.68465 2913.517539 9817.890515 1919.834528 14417.44436 9,10-DiHOME 77935.67485 103942.241 102443.4004 100538.2345 92027.40245 95336.5806 70680.56883 61930.82001 94347.24433 51630.09909 43236.84572 37045.7141 52653.57316 46875.68393 45478.95229 60947.01198 39422.43791 38366.70383 92183.71118 111378.4274 110328.3065 97816.83369 125987.022 114150.8501 69483.78773 175989.0931 94266.91212 30854.0587 92234.78826 60242.54444 49030.35623 52956.46092 84505.56596 37582.56566 56049.13936 47958.33542 76144.20993 88789.2099 92275.55756 77521.03104 86617.78405 87822.83977 135203.4782 123352.5158 157354.143 131964.9254 79452.13599 79975.78745 89623.12311 60086.83107 65126.36893 74314.11976 60526.56976 76909.1108 (Z)-2-Octene 515141.0748 516636.8403 500368.2304 510685.4329 503947.9134 442115.3725 462723.9646 460660.5347 474684.3182 335170.4835 316893.3224 309728.8576 323681.9002 347427.6567 292503.4774 394841.8433 304420.0959 357713.9274 341319.92 348409.7851 333916.7864 352362.1977 339423.8434 353904.5285 381478.1502 429213.8284 395851.4593 303960.282 351090.776 393450.651 392670.8246 351651.1944 347504.9285 305054.8945 365766.6137 387530.3806 411897.8518 363851.1133 370013.6532 342895.1522 314314.8433 353380.365 354677.2408 428032.0409 391104.5366 419616.61 397438.7097 383916.9465 399383.3979 393771.9898 294558.0559 388532.2302 387268.4695 465707.4733 2-{[hydroxy(4-methoxy-1-benzofuran-5-yl)methylidene]amino}acetic acid 2421.712525 1090.291341 4221.523808 7298.552115 4256.730974 974.6813008 903.978068 1323.657843 5745.619813 5727.162515 4768.972195 6295.272845 7330.613593 5224.025256 3703.852262 3896.449422 3942.291484 7722.831753 4212.661615 5240.507998 10235.3658 2732.606251 38982.97263 5461.388401 8787.089429 1390.153295 17288.18362 1331.975924 6390.624956 4158.958595 852.8268412 4092.901587 3885.45871 11008.32542 169.3275447 5985.887593 3096.113655 3887.782574 3864.109639 21685.08058 5964.647296 23079.66516 6965.562042 601.1318733 1782.176449 2862.530305 4.07813e-08 1955.372024 7079.394232 11267.53279 4382.490428 5530.25862 1442.122043 5037.249255 p-Hydroxybenzophenone 8937.136238 7535.898615 8267.185664 7517.165977 7556.241499 8079.364495 7959.57351 13863.42093 9150.151853 4366.442144 1356.694968 3623.752593 4437.218859 2709.301875 2552.281914 1092.902968 1474.184118 5837.799547 9718.213057 8498.796465 11885.86131 13828.11748 9021.356378 9486.480687 9888.762485 10162.67548 10024.07339 1822.071104 3319.740557 2490.274849 2716.507935 2556.139078 2097.208321 4051.202926 1775.841602 2544.697268 8183.756982 9000.322751 8305.882251 12400.81723 11205.24145 8171.377881 8943.527954 9953.042433 10194.70622 8263.764639 5519.293477 7229.633534 6971.294624 5910.41949 3206.170879 7853.872212 386.1429448 8643.914564 Ethambutol 2485.741876 2887.30935 2691.626234 967.2896795 1002.426094 936.7857376 2012.72745 2827.367488 2767.926457 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 237.0039092 603.522923 6600.975649 478.3858732 776.8492679 657.7016064 4131.518769 243206.7081 11644.22166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4080.37994 4702.130157 3985.712645 424.2008852 47.08302089 1469.386471 1062.024656 320079.8053 1375.821528 4.07813e-08 4.07813e-08 384.8343168 1624.154569 2582.341599 4.07813e-08 1028.666663 4.07813e-08 625.9692272 N-methyl-Gabapentin 1404.539648 1665.395453 1789.638987 763.5334066 1296.423221 1673.987273 1458.707632 2148.278301 2094.268743 105.0367682 60.26072576 112.7091922 128.1930348 95.95109284 40.79759196 214.9053471 128.7551017 104.2074486 2058.929607 1669.477899 2011.831264 2086.834762 2209.426434 2676.901127 2470.804882 3140.297202 3265.946768 166.583612 61.01329725 98.2098339 237.906892 38.55053597 74.42812979 167.8978359 48.63893101 154.002691 1197.11241 1900.413063 1659.678932 1898.677503 2300.601238 1963.433925 2933.549042 3946.344392 2928.556727 2979.182729 1689.96845 2057.579351 1740.516867 874.4796465 84.54781093 1376.646873 138.5257931 2285.521548 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 15431.26698 14001.94006 11177.83516 7638.837634 7308.680643 11348.82316 10806.88764 17835.87611 16803.65241 9206.018221 6815.089882 4363.163569 8361.324514 3410.557661 6473.54419 2169.621467 3865.357822 9954.894963 16925.76335 14067.48037 16373.25501 13066.63166 15544.43163 15490.2792 14224.05866 17008.04122 15617.50171 6124.56204 6546.225649 3843.067223 4981.108392 7827.12999 5983.653719 8221.461913 2591.956705 3691.718066 11963.12286 14238.52871 13693.55793 14750.0825 13331.82075 14908.37233 13627.94832 16913.94971 20354.80816 10046.62383 7559.112488 10651.4321 10734.39789 11474.3466 7739.940251 11478.68816 5496.325943 9293.576568 Minaprine 7748.717501 12423.26553 1656.045229 2889.925953 3014.230711 2521.38561 5782.704894 8795.01876 17513.49624 115753.5105 141637.7619 98332.60218 111057.6517 66650.43995 171607.4925 205843.2738 84729.18177 92728.00422 2194.293872 4212.41068 3674.225732 2595.427771 3953.573656 2164.008036 7290.184296 4279.505179 5048.825442 106052.5489 146620.004 73486.4207 187022.7212 62932.95687 117530.6757 187926.7915 123012.6055 145782.2523 3915.306457 3117.107602 3949.586879 3316.84037 3642.091585 4876.089234 2891.981395 6606.969377 3422.829558 3372.894029 2119.590865 2742.690203 4391.048943 9152.149708 75131.16489 2518.833041 47013.87141 2932.976247 3,4,5-trihydroxy-6-[(3-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid 6239.541272 2729.445598 5418.433015 3584.843529 12349.07786 7636.085844 3445.457126 2009.321754 4304.102434 573.3367371 695.2451399 537.8568431 561.6279316 617.2367123 383.1551581 558.3898961 277.4767367 984.6410802 8354.044291 4157.804808 7458.068299 12584.47207 16086.8375 12052.50542 5665.334957 6945.878412 7619.229678 90.824214 371.9284666 787.9969019 352.148965 297.9894565 368.0749598 229.7994085 532.8514357 417.0267692 7321.018341 2404.888516 7586.340399 5976.84639 12418.72464 13881.0438 13160.32799 5686.415067 8868.400137 11386.55653 9916.968021 5236.953152 6982.173907 12968.43044 2744.487209 7265.324077 2540.095757 6770.705883 Hypaphorine 9541.46018 6045.179637 9925.756903 7432.071627 9239.025607 9692.059711 10052.08375 10346.58344 7418.451845 544.0891054 878.3244141 1016.940909 330.1690689 624.4993992 539.2692886 410.1950984 67.78542022 336.4276138 17857.17866 17929.93155 10829.49485 14319.95976 18937.35359 18718.81677 16780.66107 18397.69148 19237.56254 623.0268169 731.5870013 590.8983091 664.7876808 562.8751181 743.134255 1392.110328 703.969563 493.4927292 11171.01599 13853.86314 9434.396826 13383.52945 16624.76381 16523.76798 18991.44684 17064.03122 19537.51918 17214.09904 11974.72926 11772.56579 9970.800668 7207.09288 1239.906317 12240.59046 1002.095045 14593.96546 3-Nitrofluoranthene 824.1514367 1867.252896 3697.111202 6985.811155 7588.862732 3636.551511 2393.491152 365.9440263 827.0618807 417.2240673 1076.311547 3354.232151 848.4981174 2645.817393 279.5475561 2104.323326 678.0158802 800.5420565 2462.524523 2094.950624 1522.96003 1782.273361 2311.849555 2210.724766 2176.089578 3329.885407 2288.588629 643.8532912 1160.210873 3725.828492 819.1214409 2080.644828 2682.71038 1099.59851 2732.596195 2139.830921 1803.981493 2191.895298 1801.25979 2377.996899 2703.499464 2735.953856 1861.7741 2521.768087 3886.766232 1551.809388 1320.05083 1160.632217 1447.596477 1725.200956 1004.93163 1322.578664 1168.315865 2027.658703 Maleic acid homopolymer 70905.62882 68430.47172 75553.41258 67981.93554 71267.13132 50782.29748 48481.61024 64729.31026 66062.14517 51729.36212 41039.54437 39081.37697 45901.01267 48014.12611 30839.31799 66918.30545 45884.54192 56073.26218 43180.26066 45435.51158 40880.16907 45272.47007 39581.54996 39702.41695 60579.74778 61535.58703 57284.8618 43440.26066 42116.41272 52074.20986 46288.51681 38242.75662 55335.73129 41977.74005 48022.88618 62999.3649 48066.35978 39169.569 39511.81863 39311.06276 54131.60089 48899.41844 48562.7038 67170.78434 54014.53642 47750.56168 42194.04092 41607.05183 57106.12735 59995.14371 47620.04331 51897.65567 56437.83537 67315.15537 1,2-Diacylglycerol-LD-PI-pool 902.9457318 5589.595543 1864.901831 516.8264384 682.4288785 666.8251246 1398.891706 702.9428017 4.07813e-08 133447.9792 98099.64108 10787.75155 189673.1927 31136.00696 2370.410867 8207.345183 22146.68129 24781.14742 1053.537875 1043.056839 942.464143 1402.228872 1111.002953 1461.694313 1601.129314 1651.195684 675.5672182 14796.56967 15745.31958 61828.4436 58378.722 25190.12299 2648.612023 63922.55463 24398.23411 149411.4711 817.7240749 1587.841379 1150.623746 648.1906016 756.2589942 616.6506626 798.3964461 901.7572993 1423.723254 302.6047355 414.5133442 708.2831265 785.6675663 1258.330271 8315.265159 784.643664 32815.62207 308.9235951 Phenylacetic acid 2633.823892 753.7892222 3083.230781 4197.176982 5300.563971 5159.984869 5667.797804 617.770967 1541.269099 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 429.0792562 4.07813e-08 393.4084606 5068.835098 5291.089275 7763.007497 4402.074964 6352.02363 8226.923608 4484.726959 4743.932696 6076.797375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 611.5190987 4.07813e-08 245.1268572 4.07813e-08 2740.896327 5669.170181 5278.004878 6736.485717 5996.062316 4850.248341 9490.296064 4107.50434 5733.022856 4470.660752 3641.187052 4380.070497 1626.862162 1380.671219 4.07813e-08 2344.717277 4.07813e-08 4699.101321 N-Hydroxypentobarbital 30375.06817 27496.28861 17982.23855 27096.37689 34466.24426 24322.72801 23588.54499 35621.45509 33959.44799 16395.25824 14996.45416 11394.49814 18663.64526 10753.80705 12708.18459 11733.08332 15461.49303 16800.53254 22651.76384 20819.4147 39107.25706 13600.14155 19382.78553 17257.32209 18821.19054 17814.57475 17838.03412 12827.29075 15427.79705 12551.22989 16213.30853 14262.75647 12984.31681 17579.67296 15774.07486 14924.71679 23609.26385 25463.62094 23917.59991 22592.99001 14920.6484 15504.51064 15616.37025 14961.8411 13158.241 23631.84649 24134.20896 17406.07163 36806.03048 43799.45783 16190.8459 33060.73715 20880.51561 21518.84735 Butethal 21555.54054 18956.06351 20695.23057 21119.91353 21386.33925 17222.29385 19057.12856 17786.06004 21572.9552 50257.91634 16573.22851 39704.09794 65983.26214 11559.69764 53960.93103 26102.96077 13288.34191 101608.8869 32477.93958 24645.59658 30867.25514 27041.75509 27275.86937 21609.36597 26466.73695 30522.27463 29286.3373 59999.7344 48130.80565 20206.71854 59962.5561 22938.42002 34955.23838 123333.3326 45530.20351 38437.61257 28482.24224 26718.11517 30107.04922 29595.77034 27108.70483 31303.43623 20351.07852 36010.11859 33971.04398 35110.57529 30894.73653 27161.62145 30499.04121 29059.6167 41759.03538 29150.16778 45968.62118 25295.67881 Phenylacetylglycine 8870.191074 5795.714008 9684.186635 7898.537801 9479.548708 11650.99362 7326.413471 5383.702034 3943.675234 2627.431352 2557.112407 3179.28562 3948.817063 2911.553667 2377.787033 1955.35772 1265.144789 2079.562124 13910.8631 11322.72352 12950.42109 9609.70862 12709.27829 13108.89274 13327.83316 23801.18437 26854.34452 1922.71715 2222.454948 3373.529384 2746.402846 4265.74722 3279.875426 4348.871248 2029.016543 1651.059412 7246.962653 9905.817985 10075.17098 12813.94319 9480.174144 9760.891465 15174.64247 26390.70867 11653.44005 16132.54562 12265.59011 12227.50388 9278.397987 7610.748753 3767.066938 9815.871018 2934.726484 13653.2919 Armillaripin 306092.612 296096.9091 305466.3771 304617.4495 279687.8769 286147.8925 262359.7198 290159.9231 297619.799 202870.7639 213090.7979 186078.9768 189691.3511 212782.8428 168474.1453 240318.8023 189470.9651 230266.1766 233974.9118 240006.1354 229908.8595 239980.7602 243124.7418 250237.3455 272382.5472 298178.0002 290442.0769 191282.3955 205711.3761 243237.4024 258498.7768 184685.337 236845.9645 232669.2197 693069.7825 240092.3275 279170.2715 245933.8575 251606.3511 223722.1902 230256.8002 242836.4394 262361.7062 301033.8694 286807.8569 303756.4691 378037.9381 286013.5387 280962.2292 269387.4998 191357.6636 364061.0781 245270.6403 289762.2782 Ethyl 3-O-beta-D-glucopyranosyl-butanoate 20938.98578 15645.38095 14570.40298 9381.00289 9250.299303 13743.04669 12732.07847 21671.29684 20048.78446 14997.80456 6225.048392 4733.417526 16997.08831 4525.977528 7019.206687 207.1489279 4279.145813 11377.72378 28101.35977 26975.9679 25109.88917 21160.61146 30912.33244 24543.67773 24598.93034 29900.58769 27569.81679 9317.880712 9048.831291 4312.727698 6220.495899 8772.615489 4209.570644 13222.90537 1831.841955 3788.457126 18728.76926 20585.58888 19697.40859 28944.9616 24025.00626 27909.4643 21955.63042 30071.5468 31553.67787 17279.51921 9950.001608 16049.25994 17102.06551 16334.11392 13279.41141 18824.75123 3807.729595 17836.45236 2,3-Methylenesuccinic acid 3447.90562 2883.115791 3025.018859 2705.564436 2897.996484 2261.632721 2501.913303 2662.37034 2755.531619 2030.846964 1853.4275 1718.320532 1819.332374 1899.813438 1394.451007 2603.517277 1749.110347 2009.149315 1966.820996 1879.339498 1754.888352 1919.532837 1578.512945 1611.002772 2090.445961 2331.74759 2116.035822 1679.970798 2004.485929 2009.585752 1899.168229 1795.923658 1913.038191 2162.267846 1989.106186 2299.594128 2206.203546 1957.230032 1910.154144 1554.488579 1957.652854 1981.823245 2448.279733 2226.912242 1956.672597 2296.417875 2045.471031 1970.487503 2418.587579 2808.210255 1967.392259 2145.380528 2193.54629 2413.166606 Vanylglycol 15355.19261 10222.67565 13878.02991 14580.18188 19478.32396 12125.74736 16942.06404 14917.11008 11247.0269 2942.593741 2698.697029 2651.139733 2748.169829 2680.414291 2217.719855 2582.555692 1908.118264 2533.594708 14398.73751 25625.81806 10298.76929 14358.55945 33947.02724 39440.48614 29967.18151 19782.99868 27508.87063 2474.300267 2558.545768 2795.9572 3027.857865 3160.589639 3178.041188 2885.150835 2574.658537 2745.707045 14086.99247 16539.23458 9718.032919 14503.70576 16450.65412 24024.02814 37449.54937 16914.60167 27773.9803 26976.91618 27035.51598 14507.2688 10853.41175 11013.31268 3228.688078 15163.73603 3611.059263 29067.71041 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline 11848.05015 8943.940743 7599.876223 4853.812696 4279.679553 8630.772216 7531.933364 11817.66987 14330.06617 5700.748344 4702.641764 2633.469177 5571.810397 1889.883495 4209.390377 1303.55479 4210.786493 4992.547781 13695.36924 12181.1115 13340.10536 10570.2215 17863.54761 11489.36293 12001.46644 13891.79631 14320.0847 4321.749708 3453.342254 1940.304035 3005.621024 5036.45465 3463.351512 4935.420681 2850.536503 1727.661777 9585.18045 10661.59568 11716.79274 14050.02845 10383.05019 13976.05307 11015.82901 13968.56512 16365.38428 9654.494737 6256.496872 8038.865622 10667.73648 9440.448556 5409.335775 10418.26344 3666.81427 7292.392921 3-Amino-4,7-dihydroxy-8-methylcoumarin 290116.518 197108.3534 173793.2707 239029.5918 157866.6541 103631.1017 130589.9017 149130.8043 78093.72694 20491.23396 19676.10399 15389.49663 20429.60552 20573.07029 19527.74477 16407.29169 19289.84685 25008.82855 215748.5856 150773.8635 267802.5843 452275.9333 209017.1746 34597.29799 302151.8264 298971.2611 63284.61139 19214.81525 26867.2945 30937.61317 28658.27909 45415.61083 32470.13239 24311.37721 18317.33136 20165.52173 487202.2662 182189.1888 291856.7607 73621.9743 407547.6851 404145.4504 34719.15639 214738.9317 477737.0749 25803.92112 43909.72688 97696.31051 272041.2146 148055.7721 34869.46399 81482.61581 18154.76399 88118.69868 7(S)-methoxy-tetradec-4E-enoic acid 1747.204901 2592.675501 221.0827852 1136.778226 102.6156207 275.3149647 2073.895159 4991.182496 10354.32794 20560.73711 29395.55049 34944.39993 16555.13036 30631.19193 36919.01744 57884.92226 24629.18933 38589.60338 161.8201768 439.4217337 487.6974751 428.5828957 374.5832155 1303.297557 581.9052042 4.07813e-08 1022.613725 12973.79693 21266.02487 42469.92924 23074.02763 39289.09763 22287.51639 79112.16728 12954.88498 38554.64926 4.07813e-08 294.3407446 465.9409174 184.3419715 600.6871523 338.2049244 1280.363344 366.3223837 805.0565356 559.8677362 1887.417086 827.4023304 2220.288029 1842.122473 24589.90234 1596.593557 2997.39153 1329.417616 Actinodaphnine 24965.51683 35724.78641 10338.9501 21786.98871 9719.830331 11258.74344 23591.20532 28062.55772 33342.48226 3405.48348 5585.124882 6444.25745 3222.686437 5192.067384 6767.688101 4665.000104 8642.273123 5039.843214 3698.776109 4504.21117 12771.66379 2499.986223 3761.707099 4031.622952 5170.603279 5337.938883 5324.234197 6156.197759 5762.299678 6680.413888 6914.898966 9120.426679 6702.415466 6090.398519 7553.929747 3733.452931 9116.936553 6949.611359 9433.169093 8583.283965 3251.32595 2677.322318 2688.19109 4708.873168 3338.863153 3997.089501 7126.368937 4539.129402 14493.67756 24099.96343 4469.048253 6461.569419 7191.406517 5181.46518 Valinopine 4.07813e-08 274.7442428 104.8392325 4.07813e-08 443.4589874 349.5738159 4.07813e-08 4.07813e-08 4.07813e-08 3589.370741 4600.393703 9657.125417 3027.340971 7668.917625 3860.347235 4918.219552 1391.59965 2990.462105 1287.612807 369.8811756 1316.534064 994.5718683 857.6609971 885.3230177 596.6100742 709.9307826 495.7489873 4518.296219 4976.711171 8681.474558 2838.772894 6266.78714 8476.988142 6047.830255 4551.994062 6928.376588 433.134577 610.2779023 317.7773978 344.9248827 1194.122934 1490.806241 270.5494973 449.7996846 1577.018136 1636.684548 4.07813e-08 256.7938633 90.59707064 270.7497051 5897.096704 250.0580669 5041.510848 390.2805452 (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid 28021.17691 30792.13798 19525.46857 14364.06318 8671.694303 22547.83229 23751.51907 42170.15174 25128.19331 11895.54406 8788.090353 7880.685415 11851.54964 5378.036411 7237.976918 4985.860165 5974.957597 10731.33225 5283.671858 9101.801288 6106.61421 3832.820545 3196.231893 5322.861393 4534.042226 6744.791006 8387.424821 9454.523543 8894.528533 8770.695833 9494.340257 10636.46028 10523.52553 12680.38272 5881.819602 6189.523273 11978.43308 8041.9473 10252.79065 7093.469375 4045.245861 5964.279347 5412.88991 6735.252035 3784.225173 12472.08261 5193.345634 10345.06621 11419.24962 22776.09888 13817.23498 10239.51335 10179.33515 7411.917422 Methoxsalen Metabolite 457.7422278 487.0773497 1378.380831 1114.366416 1688.628215 1201.955886 1136.718556 620.3902049 168.229088 361.0844394 895.2778539 3026.76828 122.1100786 5186.682812 1710.247538 415.1196467 1052.048068 1980.335616 1833.788531 1573.486308 1483.049886 1719.360871 3427.200017 3208.853391 1868.675314 1165.42136 1487.421042 1460.53498 3222.912697 3711.858625 2812.279397 11531.27617 3241.035239 343.1465396 3630.119476 4272.024603 1966.812119 1516.185905 686.2781049 1167.590087 1451.35328 1221.477829 2406.046716 1363.385929 2408.606285 2236.02538 1683.55159 1491.526588 720.0553852 739.8812957 2963.519657 873.9813671 1625.679942 3380.244938 Anhydrolycorinone 14898.98046 19115.99151 37217.65442 68717.15249 70304.76256 34157.29115 25849.37043 11016.15143 10933.27531 6733.71204 12358.87946 35754.57848 6427.200644 28434.02694 7445.901543 21754.53164 4202.376049 5981.885371 28959.42811 27290.30791 23237.09858 27713.01436 31119.33335 29478.70953 27784.90486 33353.15142 31206.21835 8549.500837 9688.908871 30669.31651 8504.572063 13772.2204 23327.34226 10459.08281 19892.5722 22095.98019 21321.27495 27552.60444 22531.79334 28290.97128 27540.0904 29101.35027 26889.3692 33957.63365 40383.81459 21769.15676 18085.39539 21093.43736 18840.99432 16829.05965 10771.73344 19517.02621 13181.88404 26296.35019 Isoxaben 2652.736436 1359.935683 1841.705616 783.9549865 1706.740957 1368.723265 1296.652303 1168.692767 1071.85857 9791.9817 8785.503476 18122.83514 11286.98533 16814.67646 5655.925895 6834.252603 21322.54676 22629.12912 9802.601906 5829.60538 5394.252187 6854.325722 5716.546007 4403.631242 7584.117379 7345.452965 6083.407995 11739.61095 15999.85584 35570.45552 17600.96929 25109.77503 24357.83773 22338.717 23928.22695 25012.13812 7763.525269 6407.476982 5241.436197 5035.068817 6725.696678 7137.781158 3358.651613 6981.967777 10099.07337 4300.028456 2079.768947 3535.429125 4270.043073 4138.952566 22278.66107 7386.50597 19021.07136 2770.324579 Kynuramine 14504.56636 8910.615216 9928.554308 9268.127233 11867.30891 11634.41321 10704.70034 12118.71003 11978.50682 7869.951966 7447.709256 2756.327513 8085.611188 2116.608448 6575.373702 3559.358693 6255.427976 7582.794473 14718.75892 11486.66607 14131.92891 16101.14363 13688.47246 13344.55999 11377.44441 25610.23835 16114.30598 7231.59065 6995.930838 5620.418866 9376.008264 6464.20973 3876.79566 8435.027453 4428.924266 4678.249981 19847.00998 12866.88342 14499.89599 13538.42894 11471.37095 15953.39032 13295.37674 22975.4433 22345.21044 10382.10292 6375.956874 10764.48836 10724.96118 13079.08639 4658.961702 9731.186525 7832.962521 8699.852303 JUAREZIC ACID 1575.480349 861.9488864 1108.650517 1622.978654 1346.911095 1015.73914 1317.054701 552.2608727 1004.267528 244.4272831 4.07813e-08 164.9551477 142.8365284 312.8559229 23.62962126 187.6075561 231.2430206 137.2464098 1108.563278 1870.852499 1645.220458 2000.258991 1639.77395 1955.003979 1988.825255 2111.682581 1890.318722 292.1530992 265.9213133 478.0709603 117.5401023 114.2646463 459.7255286 411.0752991 109.8798701 223.389576 1641.64609 1467.727555 1727.852815 1729.596944 2036.169153 1581.499894 1966.489642 2101.723555 2109.908758 1990.950784 572.244356 991.1473427 1176.689159 907.3096284 458.6222734 914.8525819 177.2123163 1874.793523 Ubiquinone-1 1292.742507 1121.1596 2064.545935 1886.055391 2190.408149 1153.103819 1298.988669 402.2070348 561.8705962 200.4789983 204.765525 4.07813e-08 212.4618901 118.123 137.9416169 81.13889553 194.1495118 298.7196382 3289.359684 2665.369658 3674.91997 4271.945336 5124.276917 3049.427784 3693.159877 2058.198712 2612.438435 110.8607754 161.6842563 251.0010797 214.3238547 351.6442819 467.4496366 361.0300711 334.6365232 117.3166263 2508.915764 2977.349582 2810.04329 2720.209258 3336.488794 4445.247254 2546.046668 1973.117917 2683.37806 3499.43726 2469.035193 3656.346876 1752.198769 1326.877152 389.6823239 3312.767134 138.5229032 1279.860937 2-Polyprenyl-6-methoxy-1,4-benzoquinone 6615.165706 4466.781894 8699.707975 7036.100169 9423.776502 6053.266794 6103.000369 4870.441652 3379.617738 517.2688708 1121.719324 390.3989074 385.8241041 1733.842808 8.110940301 2293.672495 251.9496257 32.33508773 15261.87453 14825.62534 10627.55783 14468.36447 16771.88421 15913.16207 13262.3389 14398.32676 16540.54511 262.0249099 284.8595841 1014.545362 430.5704202 741.9874266 386.2219721 66.76470507 329.1873874 363.9308614 9179.833834 13298.59675 6990.904993 15097.66003 16281.95515 14846.9454 15661.33477 12918.86027 18984.25151 9542.814667 7153.198396 9282.411729 7243.605352 5206.611148 18.38017831 8566.330136 388.6550788 9823.939836 Sarcostin 70394.73499 50813.49375 96686.01759 163543.5622 207489.0848 76315.56078 36007.58741 102535.9384 86469.26824 18776.6258 23685.06724 21342.39887 18562.13697 21565.94362 25474.72311 14973.55004 36800.06668 19062.87436 117610.3436 393078.2016 161421.4667 348451.2364 364149.9237 163202.2743 78601.88279 200521.6458 205390.8764 15505.94348 19391.59265 22061.68136 27277.12409 28569.13185 17338.04632 22439.374 33465.4342 15829.86103 98096.5299 356551.6871 198872.9551 388547.3759 362985.4401 285105.7723 162397.1325 191448.874 183580.041 193662.7291 155209.0603 265013.693 118669.9588 95016.99745 33206.58527 108494.9269 48509.25988 51022.53568 BBT(OAc)2 572.0217926 4.07813e-08 1547.523016 2168.050719 221.0504788 1155.649431 1971.756058 718.9212486 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7981.300921 6457.215483 5979.635772 6276.555763 7048.968076 6313.434639 4633.134589 14046.37379 13602.30499 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2769.185714 2779.94345 4035.536914 3828.695686 6833.275435 2654.99104 4538.288186 12741.57827 13618.75667 986.03997 919.8351381 2928.842997 4334.757399 1084.763579 4.07813e-08 2698.10184 4.07813e-08 1973.626053 Linalyl formate 3029.139451 2761.343205 2543.670176 2843.069221 2756.224366 2846.839759 3203.304488 2415.400319 2719.759805 1341.959622 1428.564238 963.7426407 1402.872467 1251.622979 1091.345392 2122.558812 1573.810959 1277.543019 2649.799653 2494.228209 2052.819845 2318.878477 2422.226996 2492.975924 2713.612638 2417.074733 2746.312469 1385.728421 1129.769244 1491.4246 1398.857706 1551.56756 1365.917011 1175.305649 1655.737251 1524.664119 2252.896737 2046.087104 2074.010342 2014.528926 2330.993096 2427.456904 2188.897636 2642.450021 2480.544564 2592.42345 1958.503993 2705.100839 2060.743062 2066.139205 1293.409113 2518.874979 2861.699099 2674.142211 6-bromo-eicosa-5E,9Z-dienoic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 275015.4016 369.9802474 4.07813e-08 949.8824476 11990.76168 667792.4154 93639.96912 88.50952724 4.07813e-08 4.07813e-08 122.2302533 4.07813e-08 137.0526448 135.0932473 4.07813e-08 4.07813e-08 4.07813e-08 865025.1496 4.07813e-08 285221.3775 4.07813e-08 53046.98845 97275.37637 4.07813e-08 187034.9953 11194.75723 57.41694249 4.07813e-08 115.5977109 4.07813e-08 105.4106466 4.07813e-08 4.07813e-08 4.07813e-08 148.8238489 4.07813e-08 4.07813e-08 4.07813e-08 7.088765951 4.07813e-08 41.30083812 4.07813e-08 148069.0243 130.6046942 2-Dodecylbenzenesulfonic acid 33512.03702 21849.97779 33820.63978 19784.811 16309.15521 68668.5593 77075.368 37369.77182 18591.48686 4.07813e-08 137.9122692 1398.92597 95.02931076 1331.419065 480.4113485 1971.496967 407.4225481 607.8168708 128122.8264 127819.8176 153997.9629 253446.9971 386588.2164 264405.4374 237225.0225 171193.8374 171542.3658 1257.01381 2690.312178 2622.012698 1315.947913 2997.311087 1653.244393 2212.905796 882.8936887 1572.637915 209213.2037 179858.0707 195801.9767 247250.6431 299351.6704 284760.1721 232056.8164 226424.7601 153543.0364 103880.7241 80791.56537 116540.8292 158680.5228 151909.5445 65234.31957 129724.5668 48064.00051 85598.46116 Phytolaccinic acid 4.07813e-08 4377.507559 4.07813e-08 4.07813e-08 237.3969423 4.07813e-08 294.8179294 3566.455173 254.191448 31529.90065 20100.88449 104620.2712 30333.10287 74404.47989 52873.33006 38048.99641 175756.6876 158222.1171 4.07813e-08 4.07813e-08 161.8949397 4.07813e-08 4.07813e-08 142.9452771 4.07813e-08 4.07813e-08 4.07813e-08 43347.91147 21259.00066 146762.1107 132711.4894 79424.73761 31033.36676 29579.32065 61907.09464 92278.24069 545.9471129 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1008.944606 429.7098232 13622.04868 2270.612976 46122.3595 1148.152807 20874.83019 1718.441569 Ximaosteroid C 6720.587589 12202.37317 37167.07161 27914.28955 44352.12481 93604.6814 50111.56347 48064.055 54347.78102 25.37916988 62.59049549 4.07813e-08 4.07813e-08 306.509623 238.1196075 363.0876083 194.88271 4.07813e-08 46695.29802 117421.3787 68403.6783 58386.61147 60963.60746 115228.2757 55167.81258 22086.90291 7482.896673 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 150.8477428 4.07813e-08 27756.52579 30435.73559 36086.0449 46896.20726 98817.66054 33353.20959 91377.54914 21980.06805 1929.010878 160371.3701 70658.04698 113137.158 29678.18615 29201.47409 1911.397005 72712.60749 131.9793907 40033.69661 5-Hydroxymethyl-2-furancarboxaldehyde 25350.12556 26412.17217 25029.93991 23814.21967 24411.71612 19528.00425 20837.55174 22389.53382 23283.58589 16083.27505 13442.71196 14134.4806 15751.28709 17085.30299 11658.84216 19896.72172 15375.67915 17964.77974 15476.06452 17039.71236 16195.62586 17563.64478 14806.3416 16690.88633 20455.32345 22194.46309 19139.18296 16089.68363 15319.80415 18372.68743 16781.3298 15055.42978 17030.35357 14105.03157 16977.36615 20891.0537 18957.50576 15870.8236 16906.03554 13796.37685 18176.56958 18007.33585 17630.16749 23084.3089 18911.5091 19944.519 16310.59692 17417.12487 20851.87358 17270.45639 16109.80665 17878.5731 19126.23537 23047.42424 S 26191 604.4194987 1196.761039 482.9662568 817.8800913 9538.751163 9016.61445 9955.856721 2301.891864 560.775386 13445.36411 6242.709046 14869.37155 10271.49861 8022.181543 13034.57469 3120.867329 7143.673365 2390.107456 779.0061842 4574.156372 568.9198341 4.07813e-08 508.2095726 4.07813e-08 432.0874777 2195.244641 1757.940357 94315.47184 28149.72712 10130.76161 14736.75347 22504.46184 6871.931659 23062.97714 7276.08594 5252.557572 1021.597903 723.8835125 2311.611356 2561.844576 1079.047247 4.07813e-08 1032.034755 5626.910806 4.07813e-08 4.07813e-08 4.07813e-08 4461.106933 2074.117169 3264.915271 37190.76077 1411.99234 12301.37113 1262.402505 L-beta-aspartyl-L-serine 9011.747385 9817.71374 3537.334731 5353.197945 5643.454204 7416.367634 8313.690803 11520.43009 15592.20542 104645.0371 105942.7262 68600.78305 120240.7771 84489.17225 61283.07174 85715.89295 77522.50767 108778.8988 2756.146555 2505.661081 2741.953658 2692.965275 5639.995271 3955.895265 4626.204625 2327.058132 4958.953819 77086.47282 90051.97189 147659.4096 58701.59015 138379.5901 72714.27041 60934.07925 51008.91939 102967.0985 1407.850926 4958.404683 5571.494313 4555.243282 3600.568229 3626.488304 5223.5501 3849.386869 887.6611149 3512.13202 5689.29431 3521.702169 5257.441004 10764.32884 106906.0119 2534.126146 93033.16405 3547.294971 Glutaric acid 9186.753495 7579.576154 15699.93307 14168.10845 21523.38141 11215.31949 17923.71867 26678.52594 21346.21607 44697.30839 47114.66247 42652.30494 50630.70271 62283.27463 36502.17962 55305.78975 46800.37731 66997.10098 5235.521094 5074.694483 5502.721224 2385.12397 7165.776181 6849.366318 4750.689803 3095.817391 17228.72632 45326.08996 43559.22513 75511.68412 41657.06108 78213.10366 44751.74199 33053.73636 51255.74725 63896.09116 2666.361007 4707.68373 7455.347419 6365.061635 9425.113137 4901.4522 10986.58847 4064.762103 1676.958092 13715.75382 8656.794889 7286.901931 10918.48189 9328.927912 57629.60478 10012.15082 50000.73339 24662.54648 MONOCROTALINE 11093.78192 7613.584806 19450.02906 13565.27378 18601.87954 16828.90685 15709.11339 12708.3846 13782.08543 2087.444424 2726.509202 3495.179841 2311.163594 1856.65835 2481.68719 328.8214188 1569.86746 563.5444101 29751.36232 30005.59227 11974.94234 22657.17178 33645.9885 28463.30376 23918.43922 28774.56946 32924.9705 991.9385395 2116.107757 7631.903365 784.8915304 3302.659797 3188.713767 1921.475655 1494.123738 1019.659828 14247.47361 22036.84959 10977.23724 25798.06574 27456.62259 32790.41734 26182.37681 36960.94128 34102.71459 52050.93985 41625.21574 22816.8539 25697.04686 12390.36892 3916.995737 21181.04242 142.3935363 23101.57168 alpha,beta-Didehydrotryptophan 1617.183965 1054.66488 1669.875607 818.6674396 1572.172782 1430.442487 1408.748719 1101.595597 841.5119517 1193.625141 1426.128994 553.1157363 1728.482674 374.0173279 859.2501782 286.7969262 689.1570936 523.0483929 2419.97997 3061.624045 2077.825643 2339.277123 2363.333411 2440.101198 2191.723721 2386.180263 2345.753429 586.8257437 1159.979471 1082.6058 755.3313277 633.6441617 476.3650428 651.2900329 577.6683328 399.6932839 1934.444173 2844.83585 1786.775232 2011.503944 2274.621414 3032.956363 2258.52961 2204.25155 2303.374466 2122.091887 1941.457961 1505.282279 1154.534578 1150.646807 1253.8289 1279.370338 827.4000979 1436.440019 Bellendine 50956.04305 35726.59424 48098.32501 38284.51756 44916.98802 46005.30862 50777.12131 57265.58869 48979.55398 1820.554486 2172.825417 1657.805 2612.35617 3067.050439 1252.060877 1389.225922 3155.692187 3548.705913 129988.5071 119013.5871 62672.9765 100039.3844 115925.4323 121642.6505 113639.7293 135223.6732 137185.9201 951.5657073 1745.604685 2134.022305 1592.970292 3793.289236 1703.522988 703.0954735 730.2109646 1550.194427 67316.63242 95436.96661 49334.39081 99824.94017 117335.7583 116155.5571 111687.0537 131216.9037 166047.8894 87989.75084 74760.55143 75401.25317 58904.0492 46766.35469 1580.806666 70330.45381 2321.617748 87837.60392 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone 139.4070909 18.00851909 10.54345936 145.5446844 297.2882808 4.07813e-08 4.07813e-08 2.932619671 11.78377437 218.6736323 23861.28529 216.3448401 488.2807469 34.78567141 156.9460633 7705.340644 48756.34834 322.319874 4.07813e-08 226.4181668 141.7561173 107.3195431 4.07813e-08 1.335394302 0.484398811 0.002335247 22.2828874 38974.56562 107.818435 12862.47634 4.07813e-08 34570.49077 20534.46908 86.19749985 43307.99968 0.376091324 4.07813e-08 7.506463857 0.861412814 343.9323877 1.039157323 66.49527973 119.4108292 10.82643111 4.07813e-08 4.07813e-08 179.8694905 4.07813e-08 55.99795474 6.372038464 171.9773823 95.06352024 870.1658565 4.07813e-08 2'-Deoxymugineic acid 142.5444769 9792.443689 1898.836786 659.3354675 1153.177704 173.4374238 682.9981828 287.2371489 473.0660081 200.4078105 116.7017949 247.7311843 329.399113 178.606266 343.4179557 57.01186214 32.3378641 267.8879129 839.4459705 2429.961767 3852.792526 1046.149362 799.4861865 555.5226158 1216.021107 271.7053454 626.7488198 131.0529601 267.7903658 224.4853818 116.4347609 292.118399 462.6240336 235.6007601 36.61721636 401.6507131 1912.121165 1794.542527 2421.152747 1436.835966 366.1433716 1515.818559 279.8968476 780.9810435 417.4901115 1240.889955 1031.542788 886.1789067 3139.10918 21351.67432 344.9147236 1959.207094 263.1265034 498.8604729 Medinoterb acetate 6419.293073 31997.86728 7408.569039 9831.246052 4066.286218 5868.661698 11894.40111 18967.72605 15682.20682 231362.8632 163438.9143 145629.787 239389.2824 139356.4277 138917.564 93888.70402 148257.1857 197699.7049 688.6732356 1516.171767 2768.79327 1037.605036 1530.006153 1403.759598 2668.031904 1899.760926 4358.704382 130487.9351 159920.3601 207647.2683 139621.7688 204713.9758 116478.1325 162111.8554 84711.50603 148555.5261 1332.187305 2092.159573 2414.260729 5585.021341 2026.223414 2951.910556 1809.218433 3715.748985 1609.574767 2993.686254 3774.186002 3315.413607 13882.5959 25982.06402 225604.4003 6625.411132 135457.528 8394.35088 N-Hydroxy-1-aminonaphthalene 7376.366977 6187.76909 6931.084682 8155.68681 15322.80834 8971.244739 10456.08933 13206.58307 5709.362016 1195.728521 1142.147962 1144.792021 1063.598991 1066.255515 812.9387685 2121.205395 1222.62095 1349.646825 8714.611028 11051.47145 13579.66306 9093.889685 10000.58566 5792.699817 11448.53551 18628.37846 10381.33587 1069.374373 1141.802814 1290.805188 1148.662598 1162.953496 2275.118715 1359.225422 2019.574502 1591.389396 12714.49208 8287.092584 14629.48959 11608.06651 7521.668264 12690.76848 7877.339004 25044.53505 5563.333681 16549.67771 5970.991044 10211.7043 9894.096109 11763.91933 1495.24834 12725.46025 1892.443658 18261.57537 LysoPC(14:1(9Z)) 8811.81536 19439.26944 13562.07977 17654.28058 5261.972228 3888.530056 11421.70265 6200.895365 1811.942047 10224.78669 4155.00657 15237.15164 12438.48313 21234.63922 54605.64593 17576.89605 17694.64341 2540.415929 6582.47302 5177.134189 6660.861299 7517.999186 4284.32129 3864.205238 6430.198827 3892.969991 1605.101571 38898.43336 13393.42093 11296.18602 19534.4584 7646.878442 38355.71145 20872.8229 41666.58969 16601.41286 17900.9407 3796.535106 10490.67363 3781.197889 4659.74274 6282.861126 1816.149356 2637.489004 1592.421987 6788.209913 2489.659501 8544.105059 10002.12274 15298.00971 6745.490563 8508.827346 894.4837269 6515.827525 MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0) 2131.533803 1046.212918 4057.045518 2822.8336 1409.763028 7367.046851 6520.904412 1614.442795 3698.888258 12785.32226 22294.81364 22754.03823 6682.611314 68170.37947 30003.85886 24885.61797 145974.2308 43805.63167 8589.691574 5252.144425 3451.555636 4405.016857 5686.69636 8788.822221 6758.600214 166.0584071 1353.127667 21756.55352 11264.07568 28297.80942 49702.78797 19460.04971 10263.64896 21416.2468 38183.25797 54149.84935 7353.930956 6789.941954 2810.070992 3340.43646 6579.352478 1959.439447 5840.784206 563.1197753 133.4810194 19388.70557 13269.93097 11798.77443 2169.143217 2192.761661 11576.5973 9080.272138 21220.69912 5079.07408 1-Nonen-3-ol 5995.148278 5975.166049 6359.853609 5165.597562 5711.748561 5097.507942 5903.659337 4706.096822 6276.750285 4076.6917 3756.693769 3459.295434 3901.688817 4011.742586 3244.721593 4110.675892 3538.417431 3901.24633 4210.163192 3884.527634 4472.176814 4164.516281 3512.640206 4035.374543 4697.480234 4945.275086 4653.22577 2971.951688 4287.260057 3940.206821 3606.971156 4053.425908 3865.24493 3007.556842 4052.765291 4386.723006 4761.216968 4418.277571 4124.300386 4128.999317 4079.01581 4290.092027 4159.009708 5687.408444 5400.366066 4605.827298 3967.800874 4240.716007 5112.278973 3941.4421 3583.039952 4542.715666 4257.225231 5525.198879 ANISOMYCIN 65042.62367 37026.53153 65589.25558 55390.27044 76460.30013 65970.81368 76570.07526 62636.32687 51295.62451 207.5571929 216.4979205 182.7985944 52.95305788 22.43851398 121.5869856 35.11320884 77.11717009 211.5518704 143906.7325 180546.9257 64618.56729 139580.8729 199942.6687 189503.3579 165061.335 192362.1499 198278.7408 444.6395077 367.1380086 62.6230581 103.7349903 413.7853378 122.9842117 343.3440233 16.89915169 46.0207529 88486.06339 111458.7698 56401.47558 125473.0801 154937.2499 180157.2549 172122.0987 182626.6915 210527.0223 164063.1949 129708.3673 109174.598 73988.03381 55104.64006 197.63071 87272.53856 45.19553349 148170.1885 alpha-Hydroxy-N-desmethyltamoxifen 788.1382433 1950.563151 890.744119 2624.842201 1026.482408 534.4786447 3569.593154 4519.745734 3043.536901 18.77744475 5757.066805 1135.406722 1002.675477 730.2212996 465.9007481 828.6326232 269.9228021 28497.91088 32.07754434 147.0977603 503.7167125 137.7964653 456.9327447 432.3345639 122.4821792 379.7535185 493.4640701 3794.750883 7862.546105 11496.68662 10776.19251 16264.46058 9962.341308 6153.016716 442.0418744 32220.50844 440.0999265 356.6074688 706.1304847 51.56666342 294.4182337 145.1032674 299.3372072 326.4275035 200.8469227 141.2590777 500.173312 915.0088556 2375.990098 2825.147332 16922.13257 803.0811375 4123.042519 1669.711294 trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)-vinyl]-1,3,4-oxadiazole 8114.97492 2353.710781 8861.253 6433.42126 10980.88809 9336.460991 5272.053565 11774.36584 14115.11607 3538.232081 3545.82941 3570.98644 3355.336232 2411.803325 2784.55908 1608.779264 2165.610677 3945.178649 15325.51886 22983.10782 3689.840543 2274.445171 1521.946859 8496.570537 4737.361424 10899.52905 11561.15853 2944.016914 2187.236265 2174.494084 1661.758827 2128.219693 4232.726758 2025.827718 1914.832227 2568.894549 1439.120534 3155.682148 5225.275145 1230.585226 5199.984921 1431.67391 6779.097697 13486.65376 2735.365569 22446.00591 15186.03721 11509.53756 5826.426194 1772.622175 4095.039739 7891.0933 1851.066954 13834.66001 N-Acetyl-D-glucosaminate 81.89211812 377.2586943 1814.764405 604.3961105 92.716011 3071.402511 1452.738003 5815.996916 4437.587623 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1475.244917 812.6202983 1905.405175 4.07813e-08 88.1618938 6472.894057 649.7213271 4.07813e-08 950.3725902 4.07813e-08 99.24141098 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 932.318254 2171.284107 2793.793001 950.8637852 4.07813e-08 8770.079699 714.1561136 4.07813e-08 17156.73573 1117.056405 1668.052174 299.0951323 234.8056208 4.07813e-08 1082.870999 4.07813e-08 849.2191254 Threoninyl-Tryptophan 254.4107639 3111.583171 240.8545325 575.2326112 325.6385651 1224.33504 255.140177 5.106401208 291.3461041 8442.866955 20910.39749 9758.426658 28338.02627 16290.21088 867.8492588 4.07813e-08 98.91302065 557.7912296 221.6833827 267.1570998 283.0123001 306.0807296 600.0822143 248.0366301 371.5626742 337.2773141 714.6174009 8450.578676 4.07813e-08 327.6317034 4.359544922 27.7554382 8924.822019 242.8854061 319.7972975 380.4331172 527.9608192 237.7566551 147.0956469 560.478032 460.5076446 387.5045037 373.8801174 114.7833882 1167.112712 0.987174556 5736.550835 1096.088216 4557.226458 23889.54634 4698.511147 1186.172427 72311.88271 9125.88515 4,4'-Diaminodiphenyl ether 5683.399632 3577.72784 4716.84499 2183.519237 3509.27565 5965.137188 4261.539425 8028.463644 5635.903115 4.666329405 4.07813e-08 4.07813e-08 4.07813e-08 12.33935542 4.07813e-08 4.07813e-08 3.209703833 7.407213096 8321.928148 6438.593819 8446.727829 9552.122993 13318.64596 13128.91118 7459.501027 9805.081805 8999.161885 4.964091334 4.07813e-08 4.326345793 4.07813e-08 3.877577762 5.563771864 4.07813e-08 62.97445783 4.07813e-08 4649.685933 7297.815004 7204.413015 10376.97186 10914.73938 10315.79395 12900.23569 9014.823609 10247.21407 7733.06455 4152.651638 4795.140312 4127.878815 4357.807179 11.68631777 5253.563453 4.07813e-08 5020.267313 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid 1910.310279 1923.248139 2117.44565 2991.888768 3597.591031 1292.72809 2030.960161 1593.659392 1800.307014 626.6494081 517.12948 664.4842101 742.2391829 417.9442009 583.0645175 214.2875254 284.8624595 910.8184593 2716.191227 3078.680725 2397.758485 3096.314609 3655.740548 3118.41403 3241.674213 2995.643399 3863.865886 347.9533573 681.2870194 646.5264187 567.748397 867.2778309 948.2012291 1213.26345 310.0879177 442.1911885 2462.646012 2750.692754 2058.15601 2796.298417 2727.998262 3369.463803 2741.055362 2593.1877 3264.106577 2927.691766 2190.303929 2025.602619 1934.499266 2315.148078 1385.690624 2935.624025 889.2766782 2505.646209 2-Phenylethyl butanoate 36666.25913 19337.38028 18093.46142 29050.81103 26908.55036 22923.62607 26356.95726 24805.05347 22570.4271 2075.835396 1922.071265 1717.822809 2087.792464 1890.602318 1993.672231 1964.763827 1681.395198 2285.515037 30889.16635 46329.20871 45795.77664 50563.48396 54188.00948 48283.88024 45369.80307 59975.93194 45539.43751 2025.551839 2168.544683 2075.301989 1832.497744 3110.65898 2437.46913 2023.903454 1705.877823 2138.012567 20482.30352 36406.86563 35632.35969 44580.74817 58027.03104 47545.41407 47569.46254 60091.65454 47920.45924 39749.44762 26175.18267 28923.08984 20530.66402 24569.0478 3890.193289 25201.93427 3323.862576 44925.71696 5-(4-Hydroxy-3-methoxyphenyl)-5-phenylhydantoin 2943.25284 3677.925211 6672.73357 10676.02456 11462.54152 5767.394275 4340.549368 2238.557392 1923.814919 2625.413524 2127.029924 5182.606502 1895.709824 4260.656636 1286.399851 3284.905651 1032.487652 1349.89049 5350.387754 4325.062967 4488.991342 4945.153751 5312.589238 4958.015277 4475.736055 7354.175814 6522.21927 2296.067874 1877.817098 5085.304441 1587.270572 3025.682244 3625.026393 2007.046001 2621.846687 3332.133378 4009.076273 4435.786315 3119.994643 4581.523441 5212.281632 4822.061849 4873.723541 6611.942001 6862.203216 4912.157462 3219.476424 4227.614496 2851.769017 2994.445976 1787.19413 4109.630539 1500.152135 4652.283592 8-Epideoxyloganin 102.1645557 120.2454378 539.1875877 355.3283316 347.1493727 293.4717887 153.2014365 418.1519981 24.90101167 386.8784084 2279.336622 401.8855169 719.1205234 142.9639479 876.6956844 15653.05796 19940.54094 378.7811513 944.371625 649.4850701 184.1647918 983.3405354 330.0781205 587.6025083 541.9035365 586.8185547 1524.46629 7075.371746 375.0388875 8348.183242 337.580899 10379.53881 2487.832357 462.6577406 9405.73518 401.8923442 706.3507285 395.724874 421.0231142 1474.958731 2126.309721 330.9167023 505.1781136 1420.079642 1234.179747 399.9287916 403.4361281 175.7174435 1102.823815 190.2689433 4688.042381 1750.506829 113809.5974 1417.102677 ESTRONE HEMISUCCINATE 2392.908852 2057.250318 3236.554912 2733.995463 4853.277366 3525.93207 3297.856967 5216.399144 3401.203041 440.2534514 467.0598506 756.9575435 257.3083683 194.1763611 1796.885204 314.6786803 2011.261733 1448.168064 5746.960673 6777.705928 4403.471247 4196.462533 8066.669426 8471.735203 7153.00687 5335.203128 8489.577071 228.0727746 657.8341368 245.6281067 639.5380104 664.2833585 607.6283972 1185.328663 2117.473035 382.034442 4241.03804 5990.909798 3007.608098 5556.201775 7156.180964 6858.251915 6886.217661 9244.021474 8405.633314 5031.543668 5276.048611 4245.576545 3090.063561 2989.965783 422.0121835 2610.758856 2266.141983 4268.096224 cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester 6818.129075 3260.913418 5220.461926 5467.435338 6901.701855 4637.5201 4735.308832 7703.985885 2749.66561 660.146527 286.2571515 263.8262588 474.7740218 847.4846718 292.2656297 955.0606994 265.5191648 615.1490434 10585.37208 11884.66834 14722.15845 12314.54465 11440.62746 9892.358579 11691.52007 10407.31101 11807.29287 422.4193144 269.1798347 1032.000523 446.0290583 76.48986317 878.8709376 0.25070441 474.1589623 263.3950651 8184.792053 9180.008105 7485.053374 11090.49931 12129.01873 11981.56188 9586.233912 7474.747635 11420.28805 8830.591637 5503.731398 8386.439512 6140.930188 4041.134362 386.8042438 6852.619943 316.7234544 7654.397045 Nebramycin factor 5' 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 799.6288888 4.07813e-08 243.5491603 4.07813e-08 13932.16236 2468.038257 384.5455025 5463.636486 1753.280951 4078.185062 5282.26363 16003.23213 4617.916024 115038.0043 4.07813e-08 178.1916519 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 169.7323668 4.07813e-08 4.07813e-08 776.4231361 21.9783024 456.1181418 1360.26167 1083.326678 39.73470684 1362.870867 283.4507503 2877.097128 532.5633731 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 383.7214186 605.6556307 4.07813e-08 4.07813e-08 741.5290246 152.7725567 590.0005017 4.07813e-08 3710.186785 397.1920693 522.095213 209.9466821 (3S,6E)-Nerolidol 1512.309681 663.2524427 1534.173842 593.221165 979.941269 2164.262025 3028.970805 887.3464719 1295.093542 493.7336283 326.0827886 292.5573805 264.6889003 414.4807332 233.5776779 737.6844734 229.6247399 621.4970575 52.17799532 336.6519826 384.0150517 800.2354396 349.1909605 510.4652346 379.3675984 518.8897487 472.7314576 361.1802168 345.7005742 560.5660782 511.69794 330.681203 385.4918704 304.0330166 672.6487417 515.8921849 1573.037275 582.3490473 642.1740793 313.7020791 671.6723452 555.0705806 975.0449854 523.4440068 439.7055025 671.5420045 1143.21283 1306.252094 1047.199407 884.2331706 6635.642563 704.0214995 8095.346243 1867.549483 Sphinganine 1-phosphate 23434.76716 12783.96001 21292.99565 24126.75601 41074.41872 74406.90624 28397.48104 25243.42649 10901.84748 4.07813e-08 37.71342022 166.8539754 4.07813e-08 18.10132062 25.54020549 4.07813e-08 4.07813e-08 4.07813e-08 6898.048303 3888.553458 18438.58337 28946.0279 28214.26923 14863.38851 17389.7421 11537.1432 13688.95654 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6700.397306 4273.798725 7158.334125 7495.541656 9880.162631 12524.67353 8983.756728 8005.715327 4252.844188 3878.864258 1113.05909 5133.15657 13278.16482 7489.935118 19.62356157 6424.984358 4.07813e-08 3896.748387 Dihydro-5-(2-octenyl)-2(3H)-furanone 3144.625844 2646.171188 2481.23313 2364.756149 2581.764852 2436.680835 2910.861519 2124.639748 2092.625907 1448.299648 1284.954287 1125.359433 1398.40648 1582.216852 949.2951099 2076.576509 1238.430345 1354.689834 1887.934536 1920.164358 1787.022256 1844.36762 1515.240164 1963.524518 2132.270379 2072.39889 1781.814497 1076.723692 1387.518451 1603.173982 1567.51599 1383.645175 1620.475102 1283.449649 1712.024981 1875.713327 2286.755063 1605.153979 1858.629491 1423.184599 1640.810408 1994.646523 2053.240417 2152.954985 2252.200168 1824.764627 1873.799288 1915.36841 2106.523428 1733.027338 1400.948551 1744.353839 1970.357008 2662.483257 N-Hydroxy-2-acetamidofluorene 698.0647174 82.78189478 285.3783433 338.9663659 754.532208 664.0700863 711.237783 824.9843554 666.3433996 13094.27085 15619.55442 13587.98347 12853.50517 3641.202799 12473.62143 10509.10208 14007.41515 6308.932425 1338.484335 889.818719 840.0848584 1022.461696 1253.822771 1779.865467 1392.752501 1454.455937 908.8140306 23316.55533 17642.13141 10855.49617 42436.35273 7325.610484 5373.406552 22691.76909 9255.941735 33694.3907 833.9874913 721.4461596 533.2108403 889.5656239 1083.07546 1178.065739 1568.976321 697.0675463 1026.004427 1647.712012 810.8498407 1081.055805 749.7577044 931.8580122 7937.438087 970.4718947 9903.707077 1019.70345 2-Indanone oxime 15644.86325 23676.78085 15374.94833 14227.85673 19743.7242 9716.454939 9942.579682 18404.47948 27281.40761 352.9443475 405.4176995 430.1056971 346.795169 376.9561689 183.0516213 329.3208366 301.3418629 427.3295057 7367.457486 8359.969893 9618.233285 9916.642726 5905.034159 6340.607895 9724.575986 27931.96204 14993.61043 327.1920961 566.8514785 507.9089608 659.7215163 258.823703 637.4369819 529.7265359 530.7829783 378.9578554 8403.399527 13004.70775 11565.50386 5949.85998 9735.335135 6711.585525 8330.40852 25769.19716 7821.631873 5538.547603 15985.05665 12963.26506 16631.44493 18164.19321 526.5045684 13899.84896 676.0813597 15773.18782 5-Megastigmen-7-yne-3,9-diol 3-glucoside 7172.32072 3732.486243 5227.311865 5003.556794 3996.959557 5273.911721 5436.878011 1802.081788 1705.069191 6070.719319 5014.341866 3571.246228 7272.927517 4024.002376 4507.291488 2232.289155 1578.495662 773.6188594 7192.686312 8771.583906 7045.763966 5160.479974 5843.919373 6392.358343 3986.892621 2054.29194 3649.603345 1331.662756 2209.093831 3229.045677 2229.726611 1997.183775 3641.609151 2687.189196 1856.343806 829.0563441 3380.263637 6494.788558 3326.017305 5135.508044 6530.13758 5259.165807 4859.606568 2920.120542 7807.456487 4181.675722 4754.058533 3898.507604 2151.621892 864.2911683 28410.43931 3713.05012 141226.4545 3530.11628 Hydrocortisone cypionate 76865.83654 182866.6263 268687.0381 51947.46969 33943.10989 253852.3459 50953.83366 481089.4588 493494.012 4.07813e-08 4.07813e-08 3174.698223 108.7163459 4112.927038 3517.140797 4.07813e-08 7216.291438 2167.341032 686896.4998 435573.3462 566749.1731 240939.3343 190362.077 7482.826349 44437.68605 1014.065577 1170.505641 744.6053653 1428.223049 4.07813e-08 749.8214244 4.07813e-08 4.07813e-08 1338.093877 7969.389759 4.07813e-08 336119.8995 250923.4708 617233.6777 477039.7451 124356.0493 208382.4009 4988.17139 2066.899911 897.2220204 999600.3642 808448.1727 466338.1772 414229.0451 175290.4021 23209.17269 585779.2524 276.8042679 177405.4115 Desmethyl methotrimeprazine 5-sulfoxide 16807.43499 25511.3194 12349.00689 27596.47819 14075.98018 12757.7619 32694.55506 11736.23976 7420.261459 331735.6878 259332.5282 185774.6303 290410.9356 175047.9663 254350.1819 177598.3145 132019.5616 141853.8197 16360.4339 9131.786873 11916.22426 22654.07217 14153.94376 12295.64877 9232.076462 11095.36116 10023.61726 169029.738 220579.9224 244118.4756 247733.467 340882.0472 251415.3171 315690.4992 155215.741 211071.8183 13299.34319 8869.216957 17772.75045 7899.460298 10322.37695 14737.35025 6220.40751 5523.839742 7983.326699 7063.67874 14262.24549 18397.75882 28976.69213 22817.096 207226.5006 15542.13588 323661.0213 31134.81584 Adipic acid 33473.64199 42662.71397 41357.08627 39597.85543 53507.58752 37707.97784 32000.10434 50276.4735 32401.64683 12504.52443 6695.093631 8726.352131 14549.96972 8830.939851 5021.803724 2487.583649 4383.48622 11475.3966 41123.44807 24781.59763 92150.63301 45697.79309 95851.83956 22209.85452 48362.13388 30679.48838 25139.10649 8701.600787 5815.841323 6247.187237 6188.256167 9740.341339 7935.186585 10502.57599 5840.19139 5970.581204 54544.40224 38486.51006 81524.12145 39976.74662 46263.3188 96979.6147 20133.41797 27689.4838 40459.59031 23678.05677 22629.67479 44572.79523 63879.2269 63177.79019 8432.312021 38247.69511 7074.249134 20574.4149 Octanal 17137.65309 10367.83568 17650.01673 10817.31476 11134.6504 13314.1408 11043.90068 15328.71018 15004.73184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 171.223057 30009.47529 17363.32713 28399.30052 17788.2047 20068.13515 32150.33013 15760.47167 27586.24124 27416.70156 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 326.4978945 4.07813e-08 4.07813e-08 4.07813e-08 16327.06985 16718.71008 34067.92054 29923.89194 18751.70446 18703.27999 31555.61303 25918.86873 22281.291 26017.54922 16507.61651 16805.43276 18971.01131 11615.07518 4.07813e-08 20019.21943 4.07813e-08 23970.87965 Niazirin 4114.986974 6414.230993 11093.11423 10359.77382 14915.82655 8374.436599 9364.842728 2767.391558 2225.210314 20384.54256 17397.16242 15621.83334 22174.82606 18050.04226 11135.8514 12028.25547 21101.90444 12969.82938 11455.75303 11022.75214 12511.6872 13795.36792 9950.528567 10205.35759 10044.85506 13509.4583 11534.42126 12214.06487 13025.95275 21279.78935 9673.933147 25070.82832 15738.82962 14469.89346 15873.94022 11296.44062 8272.775924 10252.12452 4640.613851 5340.527394 11825.97799 12930.12814 6667.256725 16250.00078 18971.11661 10437.25043 4792.439317 9753.439996 16021.00086 20195.29683 18458.49385 10279.51361 17762.14559 5012.941922 Demethylphosphinothricin 48839.14396 39335.55681 46094.68161 41515.00085 46710.01547 37524.31069 36968.97485 29627.06774 28858.09242 25129.24753 20064.11081 24933.06831 25431.65244 20891.20593 18072.11098 15059.17372 10894.15866 17404.67718 43139.49569 45904.2455 38547.1682 41572.2884 46054.07878 41838.04234 40836.24312 50083.45418 43667.22421 15814.90015 15951.60542 21495.51176 14915.40237 25388.47816 25266.6859 21504.52914 13242.47564 15448.89453 36420.52699 42811.35653 34941.27813 41875.6417 36853.00617 46755.16877 42193.28687 56287.69687 51578.24978 39712.48053 40094.75969 36489.85193 34402.32532 31865.24454 22078.89817 34292.88196 19530.5761 41937.30402 3'-Oxopentobarbitone 46404.19004 44430.02314 36638.19403 46079.05008 41818.42539 39997.74365 49121.7933 63333.02136 63226.36263 13675.7697 14402.49373 10835.78586 10778.2407 10262.89423 13394.08354 8390.056093 11180.80663 10098.24272 32745.24609 30191.147 45269.11087 27488.1633 35626.84854 34499.71091 34656.66049 35753.08496 54291.86201 14513.02471 15060.47494 14562.14671 15734.75212 19782.45179 11440.44432 20188.67847 14148.02465 14507.46951 25544.40135 37540.37038 47422.16237 43553.21681 27753.60778 32053.78466 32769.60751 36925.62589 34331.67706 30131.68251 30642.00221 37956.98993 46231.84415 58588.55846 20551.07856 34137.83059 15747.03202 31460.44035 LysoPA(i-13:0/0:0) 8072.588869 10270.64895 7417.228589 10880.86626 22821.44115 4867.972428 8561.632043 8881.235662 11587.51905 10250.35405 8022.127048 14969.58612 10791.68782 2532.628554 6124.982742 2580.216241 12286.65641 4332.184704 20234.57685 19624.12051 4985.855701 11764.89785 37744.59616 20649.21357 9490.056859 25924.90654 34697.95245 4208.720695 3898.246243 5402.593695 3556.978461 4511.142488 2537.185488 5068.27707 6921.415928 4383.915569 3685.21153 9895.756666 4798.369086 20585.96575 9821.624942 16607.14089 8794.879455 17985.21112 26215.80347 471.6849933 3788.859123 2691.360013 5487.637673 10836.63669 3679.930175 4451.708967 3551.735382 8121.125934 Quinoxaline-2-carboxylic acid 1345.564456 1125.538056 1616.298285 1467.929327 1714.3739 1302.021038 1038.548472 1293.727438 509.3957888 1082.756819 819.1313693 353.1223556 1191.90886 723.1014056 661.8772215 271.7220346 435.4834877 459.5936739 1416.182735 2072.64717 1729.3437 1998.43196 1581.232959 1952.489329 1681.033365 1431.91162 1705.87471 621.8266327 791.7527382 479.8599282 916.5848619 912.7005971 788.8525199 989.9993475 118.3598168 713.9575736 1491.569178 1782.425021 1638.627829 1703.793748 1545.358652 1985.525445 1306.029164 1937.50304 2054.649079 1297.8996 1072.054932 993.3566823 1847.652965 1238.173643 1534.08788 1557.942017 389.6813408 1535.020592 9-O-Acetylneuraminic acid 13052.76723 12541.99735 12579.24338 11321.01629 12244.24604 10547.32515 10092.84128 12465.60182 13267.11288 6822.379865 7220.245169 7102.545077 6710.943059 6311.503006 5597.627603 8941.488271 7869.764266 9245.362545 8300.82795 8925.75966 7613.915208 7765.865822 7409.701835 6789.204339 10328.0721 11276.17474 10894.37888 7618.135867 7162.030867 8574.714422 7482.249712 5819.594864 8219.090807 7047.69642 9033.298108 9530.150616 8662.140678 8182.376272 6532.247215 6230.979722 8719.57394 8261.634874 9316.820215 10340.51605 8946.842098 9215.84715 8020.361434 7252.456123 10355.0996 9216.686599 7433.070891 9103.845852 8486.528841 11137.64278 SECURININE 6689.856991 5510.827418 5871.99586 6210.955317 6229.279332 6102.704947 6406.92375 9548.597794 10141.68919 115.3635399 117.7893019 1010.762668 324.3926174 93.10543594 155.9477005 4.07813e-08 0.359001854 123.4894561 17380.74703 14856.74027 8844.742214 11651.84477 17108.74477 16401.08618 13694.97708 16867.51367 16214.38076 905.3193223 296.8263257 312.4376345 520.6053459 154.9228592 4.07813e-08 473.736459 893.1404607 247.0381405 8903.775964 11389.29089 5259.971758 13361.91142 14150.62717 16051.57268 13689.20564 15136.4252 20632.91238 11489.27923 8160.906058 8952.648502 7137.973682 5535.41975 4.07813e-08 8693.122411 197.9341129 10238.42494 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan 4185.06631 2315.250636 4843.299092 2751.329592 831.1460402 14543.55318 14509.27455 3064.064037 3849.970733 3142.53017 1799.09247 4.07813e-08 2198.477302 221.4097528 414.4327683 12082.58616 4.07813e-08 427.2475698 7239.212267 12954.04782 14362.87478 36414.19808 20954.6774 25864.08334 3873.756696 57908.76288 24107.52643 142.990719 4.07813e-08 3260.396538 2631.063131 6273.414239 3074.169805 602.1720841 4.07813e-08 1100.271085 77856.92934 30554.01224 17706.6344 15681.59527 40054.21883 6753.670688 25191.15578 44292.18558 25669.99283 4038.474898 5442.644314 15795.0493 10190.00002 7917.25246 6364.943861 3974.449917 2440.898115 4983.440679 Cilostazol 5.455432927 3.7696921 347.2207724 1384.307489 763.0175988 933.5225974 172.106451 0.017717568 576.7953945 11.89795699 0.587642257 1.930039834 3.706962447 4.07813e-08 2.066016357 4.07813e-08 0.117001547 1602.835172 1693.053989 2340.20743 1814.712728 5212.593352 2912.192105 3139.797665 464.481624 26.99085494 739.3604962 0.241941779 4.156819968 0.415115316 1801.148758 22.45265346 0.002819986 4.07813e-08 4.07813e-08 0.976975085 1234.72383 1676.669065 1078.766945 2414.488665 2676.795299 865.2579898 880.666883 139.3925157 1119.045166 1960.59476 4060.20427 4257.192622 11.47997447 174.3452131 0.005778282 2054.528253 197.4219367 879.2640587 2-dodecenal 50918.86726 44465.10064 52069.05845 59590.64081 58887.00648 41950.58328 61235.75609 50494.31703 40294.8075 32223.05748 32272.76962 24912.30328 35117.70206 36896.1771 26883.53184 37459.90236 26767.84294 50050.67311 24159.54273 37773.65607 32138.25131 26902.13964 33279.49223 18885.3322 37848.73508 32580.18485 36181.74416 32174.28459 30937.85683 55144.48076 39920.48329 34670.31109 29360.96388 30828.33153 64239.60054 49417.23406 36787.97996 26510.3037 31553.49478 32792.84289 33144.23079 31930.83622 39850.24749 32191.59042 40783.79804 40731.33989 35712.67967 41118.03664 33893.06184 38208.98203 27917.20366 23102.13684 37474.00923 29863.83609 Cer(d18:0/14:0) 313996.0758 310811.8867 313628.9622 307008.2823 301739.2845 265168.3973 282737.2775 273854.4948 267631.6139 212078.4339 199691.1373 186845.0966 199130.4707 208482.6243 170118.0618 246488.3069 180555.1131 217129.6649 197200.0289 213163.0589 205632.5158 215643.5989 194198.0551 216785.1501 213643.2693 243239.8517 230338.4879 182650.7171 210043.7432 230280.9306 234862.3121 198968.5436 191797.5133 173343.2369 210194.0795 241673.1048 244004.852 209810.5978 224908.4733 198107.8303 196579.9171 195919.7606 209893.092 254243.9544 230418.9258 254628.5717 232018.7508 223126.2939 222497.9901 225332.9211 173812.7886 221750.4986 239905.147 278099.7131 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 1758.080213 212.4883009 4815.904199 9678.067357 433.8935333 15000.71347 4765.969886 3181.4103 13660.15771 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 289.4543536 4.07813e-08 16649.39102 25651.67086 28634.20674 8941.664676 32188.66029 29685.29476 11784.30209 4.07813e-08 4325.922062 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3818.143703 36633.92372 24263.01761 65595.78626 9169.06569 18948.24439 27490.42889 1258.986146 2306.540882 33908.98743 12526.04869 45498.60045 10974.65714 15359.47273 4.07813e-08 23203.98462 94.86052512 1799.704346 Phenylglyoxylic acid 18804.90243 17587.41972 17386.91402 17307.6682 19195.08249 17999.00663 18570.25294 17641.96257 16050.51096 6049.661488 5759.451363 5117.084839 5881.044195 5013.891607 4971.884818 5139.475545 4645.729776 5558.504996 24429.18795 24008.0535 23937.25793 21944.55794 22880.82131 23478.40324 22268.97065 29775.80724 27652.58911 5344.323353 6008.282285 6137.178212 6061.813392 6811.362453 5842.091665 6736.145274 5201.260372 6174.780772 21540.12254 21825.49812 22340.76561 23053.08204 20569.07594 22266.21979 21742.36091 27549.31957 30794.75389 20312.02926 18629.14033 21126.34685 17039.76026 16011.91786 6633.967333 18546.21323 6887.880468 20074.53804 4-Formyl-3-(formylmethyl)-4-hexenoic acid 24956.30088 23983.16591 27786.15745 41164.43403 32418.3994 26803.25172 19711.59689 21618.64168 19402.37158 7544.155146 7470.469651 9260.597686 8203.420839 6886.92473 5101.107177 6417.67257 4909.455206 6439.988534 39952.36669 30926.98442 29838.81426 35428.15587 35450.64002 30009.97274 30381.10818 49493.80763 35548.49984 6442.335111 8728.741475 9427.272483 7004.964045 10387.10819 9322.520943 9048.77327 6286.171439 7410.436148 31414.54702 37718.93179 35545.17952 40014.83482 33784.00206 34904.42733 28035.31423 48006.60689 53767.91826 24934.20099 22601.28192 26227.60731 27881.52949 24032.14209 9186.003123 26079.78778 9367.266123 20629.63053 ACETRIAZOIC ACID 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26756.6852 11490.23358 2536.763761 24903.29324 173.8456142 5650.10541 480.3335181 7947.836302 5172.742854 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 57.23544117 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4869.327432 1572.879277 4.07813e-08 1878.804059 4.07813e-08 1150.837287 5967.997822 2508.419198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1100.808232 4.07813e-08 412.8976447 4.07813e-08 Hydroxypentobarbital 12657.22809 15169.7508 12403.24722 16730.46484 16251.94189 12868.78957 15726.16723 16390.4441 12107.82506 10099.27246 10298.32127 11289.78459 9651.973918 9460.200569 7422.352459 7605.94183 5820.866429 7178.133526 17830.93845 16195.62012 15847.30806 14148.50683 18362.76902 18433.13382 16539.33573 18378.03677 17929.10661 7397.427714 9914.044139 9846.520591 7963.258597 10667.75119 9475.18397 10409.4778 7435.641595 7234.182692 16405.93328 15826.44595 13377.10892 14698.18722 14520.99384 18616.81932 14679.48729 16823.58896 18386.59937 13973.35297 11252.83607 13850.08147 13537.67075 14794.76979 10358.0938 14885.70117 9599.249061 15620.32041 Phenylalanyl-Glutamate 11581.47433 13088.88996 10488.42547 9848.097858 8665.152268 10487.19947 11083.3409 18080.7989 10082.43112 8943.019468 8231.408343 5284.698495 8754.376837 5425.480662 6062.708863 3138.915913 5446.595977 10072.90576 7538.779821 8862.319758 8074.384587 7259.826066 10192.54834 8488.781204 8525.898929 5965.157689 9411.580516 6338.456443 6141.476845 5135.074109 6044.138476 9604.576688 6841.989786 8361.780485 3470.835887 4875.689025 5326.865511 8081.230646 6461.315084 8063.546665 8686.723622 8390.258779 7189.528734 6728.04848 8709.77479 10040.02001 6805.796363 8638.288878 7092.705252 9146.100147 10129.03289 7513.414417 7311.962997 8708.101809 Safynol 779.6411015 131.2074768 1663.722659 4.07813e-08 196.4770984 555.1586725 183.9809203 4.07813e-08 568.6939663 69.31773891 70.69691261 115.1548934 4.07813e-08 283.8924045 59.00334628 82.94072333 4.07813e-08 4.07813e-08 1566.75952 881.2465384 880.9141818 799.5454234 1761.184391 1079.882095 1124.996046 1152.524089 880.5898975 4.07813e-08 4.07813e-08 392.5454013 320.375025 75.90412233 367.9145884 230.9863985 4.07813e-08 4.07813e-08 742.4847843 1393.736044 517.4130112 555.5710541 1528.565118 773.620993 1372.697794 864.3129095 1514.168013 629.4135455 410.6629174 718.3940788 507.3328641 4.07813e-08 48.12897639 612.1926255 4.07813e-08 256.8042537 (2E)-Piperamide-C5:1 38495.15714 20601.61449 35213.79793 30102.42346 36656.6247 34744.84617 33198.48883 32189.92457 27096.7745 598.3138202 390.4799475 633.9051999 430.0864535 464.4457508 168.9280297 244.5704814 91.4812191 523.4750021 64017.63682 66226.47678 44454.19232 61355.98917 64819.60399 62917.19447 57762.04906 70000.207 73225.67789 572.2036021 303.3269598 885.5877879 431.8310816 714.9820675 753.9613776 890.5853294 382.0733286 512.2526612 44868.33648 53593.11571 36962.28575 55041.72521 66211.76525 60202.45221 64112.18002 68499.41955 91622.95366 49430.00016 37531.75057 41024.59747 35378.69026 24887.27165 1036.196923 39309.70469 765.33907 47136.70822 Nigrifactin 12656.11517 6376.374202 16565.1916 17191.40876 10926.98701 7051.493091 11684.13549 7132.898792 4979.256243 2567.033625 1126.093293 669.126428 2009.635687 4.07813e-08 4.07813e-08 4.07813e-08 52.79551682 182.1433668 21178.86553 35424.10263 24053.93405 21352.11783 24732.24802 21669.29411 28600.84492 32499.43472 24583.37168 1508.250221 556.7755931 1824.361238 510.6525954 73.4820373 1316.205869 6634.861322 2427.187226 2015.781991 26352.53688 21580.88235 12758.54356 50712.44207 15037.92426 27773.63605 22305.23734 35855.57764 28329.86418 8824.969265 10365.14907 6736.599708 4350.957388 6316.351391 1083.142765 7182.288009 8388.084974 11870.58267 PA(8:0/13:0) 7141.421715 46209.76109 7329.402098 7382.960971 1202.650199 5290.26958 15254.99826 21858.68913 19090.42214 19991.23967 17782.08621 14286.49253 39212.89717 74099.7378 3200.584666 1856.357921 1397.517536 4936.021441 845.5160071 4.07813e-08 1446.388786 294.8043599 903.8170582 4.07813e-08 4.07813e-08 91.90976667 557.0520742 29810.52979 708.314159 89.6682769 1296.029468 913.5729666 13073.77338 1003.333611 1814.045864 4741.445737 43.97461639 1396.01221 2060.103167 2186.650202 4.07813e-08 45.37038829 256.6827514 431.7416483 446.7292019 293.6887763 48163.77617 8766.974243 34088.06685 89271.70635 5504.335993 12598.79751 64914.61111 24591.72854 Isradipine 7695.734983 7284.496044 10979.50077 11727.87642 13644.8474 10160.91041 7986.099109 8161.938067 6885.007336 817.3158752 1786.779015 2259.365298 1509.842086 1851.520032 1190.610031 2533.794868 1370.80068 1589.793 9664.845692 10087.62821 9121.966924 9203.212453 9374.098502 8156.904537 7780.406594 11834.63259 11456.23808 1188.084186 1034.661171 1856.899638 805.8506248 2879.027934 2074.154538 1411.504961 1345.790376 1127.64147 5514.02448 7498.628683 5574.870653 8192.783459 9725.65248 8163.866422 7675.043291 13252.99338 11374.47768 6873.803529 6417.117539 6054.379962 6011.0121 6452.383353 1398.266027 7130.197029 1740.658197 8287.715711 2alpha-Hydroxyalantolactone 2940.176703 2187.54157 2862.38004 2953.069386 1798.291042 2651.038971 3513.948589 1546.47403 1795.737035 656.0932795 609.421989 544.1128902 1213.946878 778.0346139 553.2956029 1492.762583 713.0092199 308.0526236 2600.396044 3297.908274 1859.542782 3065.269115 4227.36315 3483.607879 3552.408143 2665.599168 3005.871918 160.1478122 415.6728435 1479.967564 1006.989264 251.1169292 664.0798182 112.5365846 975.1192566 425.181838 2885.981101 2762.791694 2801.868781 2722.257772 2911.576937 4012.85595 4195.331168 3615.857188 5155.083832 3551.027659 2919.030503 2833.276155 2409.335833 998.1620727 947.959913 2088.724314 132.4418191 2717.699507 N-Acetyl-D-Glucosamine 6-Phosphate 4.07813e-08 117.5005104 4.07813e-08 112.6169345 131.1112858 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 234.436627 4.07813e-08 352.3244911 687.58639 4.07813e-08 4.07813e-08 422.4879546 143.6992724 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 405.5214395 4327.098269 6837.510748 592.7448111 351.1415569 251.0036279 449.6239493 248.438527 2964.283605 4.07813e-08 427.3257716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4316.422946 423.8063861 4.07813e-08 4.07813e-08 932.6918813 1128.043093 669.5002869 777.8582585 1146.292026 4.07813e-08 4.07813e-08 Glutamylglutamic acid 1347.428821 1498.740418 5333.183122 1735.923391 4.07813e-08 5189.611652 2597.876516 12751.85694 13288.71963 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3539.251048 442.4710652 233.9446726 4.07813e-08 4.07813e-08 5150.950894 263.5393441 2134.993377 1391.180255 65.13017631 1036.676117 4.07813e-08 294.2505726 4.07813e-08 4.07813e-08 278.8068102 4.07813e-08 4.07813e-08 298.0060725 1099.382572 1538.289838 910.7322734 344.4622405 32.8017464 6321.176758 4301.330633 4.07813e-08 5199.592862 1989.65198 3459.547802 942.1433767 1214.858528 90.52977656 2369.247699 4.07813e-08 1052.563563 Mirtazapine 4.07813e-08 2729.558695 135.8294358 797.2928023 2123.029817 19541.05713 38408.84276 518.2984192 417.3805111 386.7897479 4.07813e-08 11.35059401 284.5448541 19.70758621 9729.674525 7.78146718 96.1556902 215.3307905 301.1285169 1835.86545 124.2295082 121.3572935 4.07813e-08 15504.95111 18377.19182 503.1275463 469.5746461 0.406372779 93.91295643 168.9006281 1.779754816 190.875606 3005.512182 6.719405742 232.9945587 98.33599799 29.78079036 1846.543589 9.628421775 4.07813e-08 298.8642511 334.2655403 13755.21525 1176.591259 704.4971452 235.3120427 4.07813e-08 4.07813e-08 189.4376167 121.6620648 4096.161098 154.6193281 142.0182907 4.07813e-08 22-dimethylarsinoyl-(5Z,8Z, 11Z,14Z,17Z,20Z)-docosahexaenoic acid 1061.54477 3862.509265 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7634.06983 7594.233185 30885.40185 7212.648275 839.0308507 13043.53298 7277.474019 81192.80273 25.71719141 386.2092898 21.73845501 4.07813e-08 33.74285586 183.3715084 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10030.84253 8207.238391 69084.9823 3818.724159 3262.90119 24853.95596 18449.44681 45562.83861 3.161649674 4.07813e-08 4.07813e-08 4.07813e-08 24.86477631 4.07813e-08 169.7026964 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 208.0225636 391.8228414 4.07813e-08 46122.29687 4.07813e-08 39903.29202 4.07813e-08 TODRALAZINE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 660.4849145 6084.871239 1165.358894 536.8215902 2299.334463 1335.534365 5499.154296 8542.652713 785.2575055 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8898.889352 444.124281 10552.52249 784.2339961 11950.06142 8677.26528 1355.947326 7524.399388 2012.625998 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1959.386615 4.07813e-08 2087.699059 4.07813e-08 2-pentyl-3-phenyloxirane-2-carboxylic acid 732.0751479 573.0552209 772.0246745 1048.744966 840.4588775 904.3453333 927.2424615 548.0613537 743.1861742 104.247798 62.96337555 42.39088694 174.038828 4.07813e-08 46.81155286 71.36949886 61.04933195 96.24199913 1473.412922 1259.385932 1661.24948 1608.755003 1801.615932 1639.71007 1611.455856 854.8798919 711.7307617 4.07813e-08 4.07813e-08 509.7028236 66.69728219 296.3099839 46.33960407 239.1858708 117.2018964 196.0875972 994.6393371 1220.175359 1426.746407 1050.019344 1578.034442 1780.202674 911.1130469 1241.637169 1398.274316 1885.051723 1098.627321 1595.360668 821.2602233 737.9203124 273.119704 1707.427071 74.14214668 960.2949669 3-Ethyl-1,2-cyclopentanedione 51952.0916 40722.41499 43135.31138 48440.87737 51119.03413 49543.75166 57456.17121 39285.61383 43777.21418 16252.84833 13508.82226 10809.83 15095.66549 12084.71568 11524.09131 13187.41477 11346.21027 18160.15809 60947.40694 63352.30431 48480.5077 57281.89529 61413.36584 67241.39773 64338.23383 47713.61347 48400.39232 8085.68814 14178.12803 18716.3381 15929.1054 15438.84734 14839.77388 15123.16598 12272.56921 20001.05143 49008.41017 57651.37336 46728.19165 45107.22958 59419.23357 67746.61697 66746.95292 49310.67831 49187.15841 64089.75749 49857.47435 57776.01491 43802.08879 42328.2218 20749.74262 55643.39383 17312.20545 52109.86363 1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside 1182.731991 570.6435877 728.6650049 1736.738407 679.7652854 1761.201729 1393.944222 1698.50407 1206.701459 35610.01051 26309.21318 34899.37771 35155.02389 20749.23429 27165.95623 13159.90151 16313.86639 35484.49662 4279.562371 4867.340727 4225.480581 5309.327259 5899.990267 5700.813979 4070.285705 4219.583082 4854.652672 40826.93791 40389.37066 20529.62108 35900.0101 36720.65098 46778.15975 54420.50002 15853.33304 20857.27527 1892.23292 4670.208133 2527.586764 6560.038484 4569.310276 6082.44779 5507.623438 4546.437126 7269.980076 3793.521048 2260.36577 2871.427908 2378.286665 2081.943486 56697.93987 2476.922456 48773.91981 2854.190627 N-palmitoleyl glutamine 67111.61487 39973.41287 37207.99925 32095.86036 28228.51966 33866.22566 33698.74778 15575.64375 23298.31508 18461.89161 25639.21967 23028.72033 20104.22091 27837.72972 41452.83832 8632.24563 12125.0847 10434.08401 89272.7147 39976.84313 92995.98234 63596.50778 34291.80064 3264.068975 34756.35221 34599.48442 27711.47637 32887.14171 38883.95464 31562.30279 41833.91885 68715.87505 37845.80293 45894.58237 28471.29777 24668.92299 67440.98408 83473.24781 98561.79993 71995.40412 50092.09335 46745.07583 3159.913913 34675.34974 63732.02585 18152.79412 37068.31043 70142.88871 85151.77534 80903.06541 61919.39501 72633.70651 35410.29057 29330.56811 4'-O-Methylnorbelladine 2761.602224 471.7179101 2429.646933 1445.207262 874.2124267 1175.778064 367.2488216 1491.559601 2357.323758 462.9749134 499.4843568 300.3428986 287.3543944 81.59931099 727.8322893 586.7679511 4.07813e-08 436.628934 4179.027418 2628.88584 2697.6725 2842.327341 4101.831194 5742.494435 2313.746081 5342.09258 5294.394014 4.07813e-08 263.7786029 286.9892292 308.8560659 683.3282787 324.028215 470.2848086 4.07813e-08 259.3266994 2180.310175 1928.192399 2815.999236 1820.922044 3376.749605 2595.860253 4193.808815 5398.642851 6198.743256 1680.065382 2843.183338 3522.981088 1235.388958 2177.638449 720.1519336 3365.966827 407.7790431 3593.2966 N-lauroyl glycine 2277.015787 2405.575096 2498.783405 1755.368075 2166.965791 1427.175723 2294.938757 1432.54806 1899.226868 1853.699528 2068.735647 1738.784601 1958.655631 1721.265592 1376.292385 2384.730863 1615.781203 1815.079875 1378.177904 1218.020882 1106.569275 1377.309214 1192.166243 1367.249238 1261.549072 1794.882567 1014.706497 1635.310356 2245.097148 2324.394379 2758.883838 1825.406031 1747.668635 1517.847144 6081.649525 2366.337802 1654.122973 1422.602755 1453.547034 1006.977729 874.2608638 895.9383759 1122.350321 1360.241437 1051.971032 1999.093004 1382.796777 1569.285771 1394.356797 1146.216927 1005.129922 1324.848238 2236.437851 1837.962159 2,6-Diamino-4-nitrotoluene 557.3903333 570.9932809 571.2022679 484.3691902 297.2457877 515.4345213 565.7027919 256.5349776 279.4610408 248.215861 341.4005639 321.4800671 304.0157896 316.3181997 210.5474556 206.5034548 364.8625335 332.7158707 331.155666 394.9186874 312.2240336 388.8870286 273.8046077 386.8973102 460.4313018 417.781101 374.9406637 406.6936606 297.7917337 401.3539467 359.9269843 318.9612328 230.9435599 327.9973502 313.4907668 486.2534265 364.7009447 277.0518026 368.0518126 219.0125553 343.7012324 495.4534517 345.3959269 371.9625469 339.7226589 478.0983485 375.4837569 502.7115157 253.6682391 274.9599367 266.8725023 362.2541534 376.6246673 340.7683092 Caprylic acid 31891.85758 32074.63375 34539.26121 31561.39573 32383.91958 26477.30213 25898.32628 27139.39903 28962.8103 21368.12633 19355.94965 18613.01482 20375.46307 21993.75282 16469.69043 25408.5902 18775.72284 24340.89078 21473.41037 21452.34252 19226.2634 22309.75897 20836.54804 20625.0841 23862.26592 26995.83494 24449.51978 19762.93806 20784.69723 24919.25397 23288.44053 19676.86941 21348.50431 19010.11216 22276.14413 25858.99451 24017.13708 21326.59696 20379.45727 19149.96832 20507.77976 22111.33119 21313.5755 28519.89226 24761.37069 23793.53913 22527.83301 21842.92346 23225.84389 25047.09173 20568.60426 24559.21704 24549.66602 31675.10649 1400W 4316.178481 3251.094739 3963.246735 3250.234793 3634.41932 3481.781194 3110.898293 4951.13421 6363.768803 389.8823966 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6942.099954 6961.254433 5758.448589 5938.721947 7534.420356 7061.284645 7289.792551 7097.318647 5463.832935 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 972.3465052 405.1812416 4.07813e-08 4.07813e-08 5260.772296 9831.616253 7287.105169 6788.971678 5458.009748 3374.347784 8137.766715 7422.341669 6181.531049 4018.591139 4162.470886 6727.751044 5185.49935 3610.555026 1426.420304 5347.826836 4.07813e-08 7445.305135 Threoninyl-Glutamate 80547.68533 90373.95099 63150.66979 103510.1999 96342.01826 55745.59212 99141.95714 123361.976 96960.53877 83040.35546 84223.98385 60990.70673 76451.94253 35090.32886 54663.12211 70891.96585 74643.10099 33687.33818 20445.99125 32793.57686 27160.13669 16574.99116 33645.10454 24811.31498 23464.19996 24125.59193 32171.41799 96837.72566 52261.41356 54367.14965 59895.96628 57551.10837 54121.33645 74225.84547 69642.42563 81732.23749 27887.98228 34716.91453 37428.9718 35714.12346 26155.89778 27250.51349 26061.36583 24094.59838 17481.45885 25167.77934 46158.35826 39736.95222 66609.58235 88286.34359 39229.63481 55644.05561 82778.22526 42789.9002 3''-Deamino-3''-oxonicotianamine 25431.62656 16948.18289 25431.36466 23227.99605 29918.54447 34910.99117 23355.15168 27146.69951 20281.09032 8230.301195 9100.573367 9054.121978 8832.626234 7955.411689 5381.914972 5014.528867 2684.119568 4191.934588 32733.98743 27680.71529 27330.6807 28815.86208 50910.13192 24689.53146 55653.45789 26698.97546 33783.7243 2616.850429 8061.972801 8623.485895 4974.59123 8704.870824 6032.590252 4682.950857 3981.023754 9507.197504 24268.53597 21229.71735 26004.22003 31209.46145 28300.82237 28996.04691 19739.88245 26276.37351 28193.42975 14671.44973 18617.54643 16333.3661 15353.81472 30821.69721 5837.150497 27142.8815 2859.847937 24099.73122 4-Amino-2-hydroxylamino-6-nitrotoluene 159677.3863 134131.7276 130410.456 130576.5462 150519.796 146973.847 164080.6587 136854.5905 125454.6855 77291.81575 73216.62156 58618.59099 80651.27144 54154.78434 68460.96594 39550.25523 32169.37727 60063.0576 246154.3576 233280.1263 215225.116 197919.3838 244854.222 240633.0318 223913.5042 280494.219 270117.1302 79916.87538 81447.84315 62868.80773 59119.23706 107565.0234 90595.90106 95838.42358 35601.1303 50488.10344 179053.9439 218348.9452 191892.7782 212702.6146 213720.677 242393.9416 219554.9552 275835.0794 354868.7021 153518.9861 151423.1616 157790.0719 167866.6069 153743.4309 103128.2598 175784.9421 84826.1982 187670.0398 N-formylanthranilic acid 1662.023041 1682.735732 1020.117848 1364.112115 1188.200197 1015.781399 950.9456923 1190.628759 914.251873 1310.886077 1193.605504 1044.897712 1260.696249 1542.402675 1077.259999 890.4303153 818.0464498 1136.725296 1110.291604 979.9928094 1155.599081 1069.366264 1879.710676 1229.269622 1738.223313 1657.194552 1242.257459 536.1880302 1070.346555 1080.643432 752.5800385 740.3948647 831.9710414 863.496683 847.671701 993.4912967 1552.208722 1321.638269 1273.461716 972.250279 1159.471452 1607.984788 1438.141489 1315.650337 1408.257896 804.1547769 1070.000373 599.1822549 763.3746269 904.6720966 670.6706399 942.2478248 821.4149875 1178.829753 HC Blue No. 2 88731.72461 78941.37913 73407.97461 68643.78447 85256.58977 69756.92303 83300.75857 67567.87809 64366.77269 67420.10825 51865.88216 47162.56427 70330.63206 36784.4321 45191.6929 37032.71226 33931.86009 49243.32032 98868.43871 100421.7093 89858.71801 82288.46894 94304.94295 76311.04927 96785.32144 122427.7699 106805.5781 64058.86882 54202.35614 45487.12897 65327.35191 57882.17007 48786.70153 71300.90312 31217.79501 51568.76729 82590.09231 90879.08279 83521.09946 84828.43133 73109.8149 96601.62668 78087.31366 121199.4046 140310.5362 72601.36118 66202.2015 68043.57004 74820.86168 102855.0915 58653.97901 80412.27323 65228.9001 77353.84557 BUFEXAMAC 24974.45861 177725.0929 23074.32949 41985.06622 19666.16474 24600.73186 78266.16013 60546.37566 36692.946 432226.1366 383005.8848 484153.7906 459336.8308 424459.1648 296413.0701 271493.2106 184673.7143 361845.6365 23519.81437 24101.79701 19802.66872 17544.96225 21157.3341 19986.05664 19335.15436 20644.83622 20007.2835 329890.5878 365522.6049 489984.1362 302012.517 452662.1784 519200.7097 446270.7052 262260.8147 397960.0325 34859.75602 20192.71223 15859.33354 21689.22875 17712.11155 19127.33486 20486.04337 21502.72405 25261.35388 27097.74193 29424.96041 32644.3463 52739.15066 134967.5625 452262.7866 62844.90991 398329.3462 69982.96393 Niacinamide 12151.88848 8903.464113 12691.47132 7374.471614 9766.262171 10501.00652 9563.264877 10547.22542 8025.30083 6545.006539 9150.56525 3864.360923 7070.44495 3012.246024 5475.311985 4792.64912 4987.969268 6458.05839 9728.55685 6612.589859 8940.923247 8356.902463 6885.389437 7559.863119 7374.791572 14158.26582 12426.15394 5475.56575 7004.83704 8236.702218 7448.84201 7769.206028 2760.657743 6604.38466 3324.414722 4725.333131 11212.88546 9611.509914 13789.92126 9156.350247 7521.337534 7899.412034 7027.88624 14933.5732 11857.02763 8795.895043 6775.242514 7461.87819 9370.114696 14557.29469 5737.932759 9125.280426 11616.02363 8531.586164 3-O-Methylgallate 910.102787 369.3143323 1143.046234 935.4840179 1369.716972 631.9373012 871.4700647 535.6894791 277.3629716 932.0592411 652.1317547 806.9144786 786.2990622 709.4019909 394.5155828 914.5999737 194.4596816 1019.777538 1861.694134 1569.308755 1658.892267 1531.676416 1181.382063 1032.089745 1361.896378 1725.113882 1270.404411 488.6089417 699.2080078 1124.94756 798.824255 1174.549788 1572.856686 855.9780039 417.4606772 1267.664107 1743.02135 1538.847477 1128.181477 1496.534718 909.3774394 1760.699887 716.5955922 1807.747173 1961.799177 1149.116372 731.5688902 868.5099634 1035.445373 1909.184498 905.5335168 556.5322833 537.4534102 2039.439526 2-Aminomethylpyrimidine (hydrochloride) 33798.54306 35877.47823 18880.94058 22880.39581 18142.30908 17094.80618 26128.20564 49317.31462 79967.89803 27582.23512 26322.98999 45413.36498 32502.58377 26062.15939 25031.87606 26874.2018 31509.88004 47414.55348 10964.75235 11323.61223 16377.05871 5583.634337 10263.64961 11958.82613 24214.2628 14839.39562 10196.25118 72616.59189 35489.32447 35347.14208 58421.33585 30244.36797 40154.46514 33501.01855 33562.91159 25486.90004 29446.73727 11499.0343 13039.6843 17522.44254 12178.15287 9330.982906 16326.76832 20405.14456 7917.536425 20430.35106 31020.717 27342.11736 25375.94176 38181.92038 24078.29168 35110.00675 69954.63295 23962.8282 CGS 7181 135386.8969 123483.3235 134035.4087 131647.5528 131090.1985 104348.0755 101941.0738 93311.33363 105496.5811 81051.09239 73420.94003 69573.73443 73948.15913 74302.0038 66036.16847 92871.10324 69287.30093 84041.04779 84138.48224 86003.88278 75971.79578 85432.68048 74805.1508 75982.31434 85618.2805 101044.2613 101310.8445 62458.93534 80091.05843 87557.13565 85010.33668 72024.57911 76886.40029 66930.05724 85031.16747 111390.8882 99229.60069 81413.10578 79624.95728 68308.84922 77520.00786 79384.39352 84974.30257 121742.8014 98652.51024 88229.43223 83835.18833 81506.9307 93521.58141 88650.00783 72112.96575 96521.70987 91854.19826 118072.6465 Valyl-Gamma-glutamate 42329.05642 32637.13799 35089.44355 30008.79734 39458.93219 37047.12661 38280.48344 38757.45376 34467.02062 16026.28006 18711.89998 11073.56491 15053.95739 9498.461902 18716.96467 6041.321487 6731.599214 13465.78741 77495.27832 58221.09311 60987.08255 52722.83961 72908.19401 75700.29399 59410.2551 122884.6595 93362.10895 19340.36319 18976.63682 12688.06118 17999.66187 16161.79299 14724.37376 19941.31569 9652.329572 13235.97735 53201.43369 50270.12567 55695.76942 60658.21929 57992.25617 71604.74194 73448.59292 119802.386 86810.67158 70111.19075 51868.32339 55714.61787 50499.11622 53051.09347 20057.02948 52999.59149 26711.99512 60352.54769 Slaframine 6434.023418 5268.411926 10304.43922 8894.791195 6432.326803 6181.809453 7287.165786 4805.830569 4713.231929 1463.909409 1260.270794 1247.27034 1698.265705 835.0702339 858.672544 182.5098963 474.7767812 662.6123741 13708.64817 17472.81077 14244.90175 13523.37497 13570.09614 13935.82257 15043.01889 18779.52223 16384.84181 1508.729856 1272.851616 1669.109496 1325.204755 1651.984683 1367.309235 2833.447557 1134.900935 1806.647181 11236.76582 12076.03023 8378.730361 21876.97878 13751.49688 14638.68944 13928.62927 20270.34773 17719.41039 11020.73019 8886.939374 6477.666823 4906.665996 5639.817407 1552.374727 5865.80521 2276.924707 8219.60067 11-deoxy-PGF1a 17805.13756 21139.98415 14954.6147 14450.81308 15234.86599 24806.88479 26439.99407 28342.94343 34886.69731 19173.89992 30047.76121 41049.44422 18115.96598 85731.32932 48863.59279 60767.46023 128632.9355 49795.0909 9412.221227 12976.34083 14957.72922 14006.61473 22344.89746 30040.70424 19856.6118 15229.165 10141.77529 26006.16413 27334.21388 55919.25409 40391.39939 106411.6795 20070.08087 62925.3091 41346.37869 25194.53565 17273.76197 12987.83949 14030.54575 14526.21418 23614.96185 14234.7218 19624.85909 14036.74708 17772.51142 23334.64113 24134.53284 29746.89119 21747.39001 23273.93986 44061.59133 22709.93625 25200.31099 13280.80068 Ethyl decanoate 1071.292907 972.1798927 883.8436052 1091.102163 929.1929038 847.8810095 607.5533238 629.6383373 1104.753242 627.8331071 584.7499858 555.4907292 627.6812609 604.7495814 453.0899912 1187.91477 567.3344382 451.0813366 720.0148385 721.5219896 535.5146714 603.4188875 706.7065587 587.8950651 804.2902356 681.064247 768.8766462 575.2336705 677.8626817 763.058252 723.3299934 531.7231167 724.6815953 364.3591434 450.8524272 722.8222817 616.3401041 690.6120508 654.8302277 562.5437479 453.4173928 550.5969857 805.2062382 808.508005 994.4719441 716.2860763 762.6681923 607.9326568 777.2503474 612.0100262 493.5115383 711.7770169 760.2746312 771.0331355 1-Naphthylamine 668705.5267 650275.9537 624164.2108 639938.1985 619965.7446 552356.4561 573316.0987 607166.471 611284.0772 424728.7791 392152.463 387058.2597 409040.9255 431584.7249 363949.2992 516502.1196 396251.5983 457153.4667 421460.117 450571.6528 418155.966 440829.9655 423330.8841 429048.274 494219.9683 545932.8221 500681.0789 374821.8611 445881.8065 490468.1724 483960.8328 434122.8908 445742.7346 387813.8973 464539.6667 491025.2183 515039.8079 451997.8971 463765.0191 419771.4479 411383.8538 448781.4693 453328.8837 541913.6714 478756.3746 527128.182 488786.8614 477058.5123 515304.9207 501008.4667 376864.1704 492877.6729 486956.2957 576115.8006 N-Ethyl trans-2-cis-6-nonadienamide 408960.6513 411282.5106 392972.6417 406322.1958 396570.5636 349801.4478 363176.3145 372379.0067 370992.9119 267761.1391 248647.5111 244279.7116 257103.1647 271273.4827 232029.9963 318693.8751 243880.5696 285643.5388 269529.4312 275926.8735 266843.2815 275132.8443 268688.5683 276130.5288 304569.259 343231.9479 315426.597 240661.3801 279019.9368 308349.8443 311811.4384 276369.65 274012.6601 240936.5704 286739.3328 302654.7937 319685.4854 291797.3164 296117.6443 269384.3804 252737.0833 283785.7032 281682.8823 336342.6698 306196.4858 330377.2076 314526.0339 302951.2867 309576.0053 308731.1858 235465.8199 305154.2741 307629.9921 363217.2604 5-hydroxy-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one 9394.530637 7949.328039 10134.29912 7316.014064 10341.15877 9320.796077 9473.964934 10267.15811 8439.03939 1196.560664 1933.83578 1250.846283 1818.482585 1347.075494 1310.282671 1548.418103 1230.024786 1723.153983 21643.3872 19157.86233 16550.30558 18338.57037 25141.83166 23504.13078 19585.73005 27454.48 29301.25721 1434.952076 1375.888605 1762.279784 982.2050992 1667.242017 1939.360835 1736.211334 1551.768514 1320.670118 12788.05551 15201.05089 12501.245 18487.82005 20798.0749 23806.06749 22520.56869 25582.87466 31393.98498 16248.82116 12885.23898 13335.52142 11751.53006 9951.077257 1383.199124 13854.27422 1851.498526 15236.81515 4-Hexyl-2,5-dimethyloxazole 15409.7837 24399.68227 4696.664047 18158.25446 4311.342049 9429.797629 16696.39949 31247.6047 27915.2403 2600.031466 2863.483278 5462.640006 3583.48923 2575.484585 3044.246019 1749.48992 4211.955508 4798.054853 1110.91469 1069.334984 6966.137181 1263.760907 1588.7552 1772.859655 2089.530452 1117.749687 1770.864212 3717.063538 5802.891134 3369.299637 4449.000668 5499.85235 4442.420348 2689.72054 2802.89096 4426.487839 2565.138798 3692.999958 6271.607004 4180.504366 933.1081835 884.265655 1027.471838 766.1932146 664.046429 641.4350195 10093.58386 5820.907427 13030.56079 17916.50972 3704.816707 5829.233802 3724.870235 3614.885884 Boschniakine 8179.936751 7843.483688 3770.971343 4477.334687 1577.248667 2533.699753 4590.113071 8862.829047 14361.33079 10946.4576 8934.032296 14986.73638 13024.52236 9597.779165 17370.96167 15773.41451 19010.57215 43118.79959 2484.142346 1582.757244 1740.898775 1609.66176 826.3794085 1803.085666 2268.787314 2552.305651 1791.498912 44456.95131 16913.71053 20353.82631 29680.04099 18252.33596 25773.80355 21216.66578 19357.58911 13581.75143 10430.45044 2130.584029 1437.174105 1595.227734 1542.924593 1228.936635 1816.769384 3090.794396 1331.931598 1121.440996 4704.73115 4341.609183 5566.748198 6185.562277 11045.02657 4921.622327 24501.64772 2318.209888 Amlexanox 181.049221 706.3189945 1771.286762 2471.120314 2225.381964 605.7212609 962.0051556 546.1728695 370.6073769 112.6797521 4.07813e-08 621.0998566 239.1999397 335.8711715 4.07813e-08 4.07813e-08 4.07813e-08 97.05240829 1439.159923 2339.055728 1235.603716 956.2421479 1762.658819 2905.963428 2086.964931 1253.907412 1834.210352 90.49531817 691.1031551 626.4322593 136.2529493 570.3516848 888.8029049 403.1543896 254.5664899 401.1941588 980.8020981 1634.193232 1311.838402 1599.209674 1638.334025 2182.089271 1976.176905 1088.277885 1465.249888 1253.622178 958.3993283 1592.603499 1237.662803 1321.552472 157.8460493 1516.482225 39.11279656 2309.199467 OXOTREMORINE 69.20419077 4.07813e-08 174.7941711 199.3092823 413.9309524 233.2666556 63.15819943 158.0323183 69.63987763 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.48503264 4.07813e-08 4.07813e-08 834.89429 828.7331047 976.2000864 456.7801705 725.8647015 1480.715116 2175.667743 58.37767383 565.5742003 4.07813e-08 4.07813e-08 183.8116994 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88.80232446 4.07813e-08 183.8719249 324.0348143 202.4731544 673.135183 281.3559007 819.7815937 1346.220531 194.2041539 131.1774654 758.7201117 218.5510473 211.5452428 214.1115728 4.07813e-08 41.7095551 395.3397937 4.07813e-08 357.7784057 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-7-hydroxy-9-methyl- 404.1772877 4.07813e-08 106.1223729 4.07813e-08 4.07813e-08 4.07813e-08 71.68349889 291.2952411 214.1411916 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 69.82972433 169.1449261 533.6112202 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12396.84273 395.5615396 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 672.4066092 195.2440646 103.6523916 4.07813e-08 4.07813e-08 4.07813e-08 17439.54748 841.7457849 4.07813e-08 91.3120722 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 312.5316483 4.07813e-08 183.2070331 Calonectrin 7651.859102 4983.871925 6731.798775 3603.311934 5951.107655 5674.804621 7463.484527 5283.89449 8398.159756 12.88487 209.8705167 4.07813e-08 4.07813e-08 4.07813e-08 123.2023128 366.0047263 4.07813e-08 151.3173233 9060.23958 16068.87516 6890.705156 10643.73531 15910.00501 10781.45577 13138.06171 13806.8784 14850.08617 214.209013 667.3567757 177.8470803 471.445009 325.3266332 268.4758001 512.7597589 412.3928228 34.28566234 7108.373891 8671.078325 4002.241129 10706.7482 12821.22465 14300.97046 11761.97875 12308.43854 15595.70614 9985.874346 8861.290316 6312.667104 4827.049915 5212.247927 237.3236546 5076.997491 286.5410805 8519.876788 Pyrvinium 14949.55151 9038.894225 8335.309138 2080.125252 533.5924022 12005.15643 10841.91072 25130.05286 19779.28218 404.4973641 320.6582111 1365.028827 1732.489223 346.080155 2149.05569 159.0054349 9425.513192 1629.118022 18191.27191 17581.90812 12223.61017 11900.34683 17110.875 3530.387017 11513.64821 27609.95098 11792.05194 850.1055089 1416.690097 252.1842532 1357.726266 828.2548504 921.1536397 975.1125395 8799.600279 960.4196596 12581.64285 28846.71219 16395.16884 16934.01492 16954.78724 16564.1968 3395.015441 28857.01408 22201.42377 11585.50651 10532.93803 23659.48377 19805.55535 9455.243358 768.3565937 23291.42726 1162.327805 16825.61177 E-64c 191814.9773 263422.6385 161122.0629 217964.5085 206606.1762 224617.7767 236375.3932 253909.3749 302495.4968 37956.58979 54087.82825 43757.51621 52491.69469 58372.74635 24201.48198 23391.77262 32164.71764 19580.04477 119489.9487 189833.1627 111087.9674 119929.3528 222300.2097 235603.8023 188208.7413 184173.5751 215670.0802 34444.62533 22472.80976 32556.83418 32066.68336 31447.45231 47185.11389 22259.70117 34712.08765 28904.31858 111366.6505 134465.2035 98835.89457 138414.8742 160759.3623 178511.5737 216974.0591 165138.8693 189454.6014 213552.8816 293193.9501 166759.3514 194292.2756 445344.9605 28724.31395 132997.4633 116114.3425 234613.7168 2-(diethylamino)-4'-hydroxy-Propiophenone 2681.482597 1410.817315 3357.225025 2203.731839 3830.540225 3101.118961 2917.092442 2928.451946 1996.852615 4.07813e-08 204.4501703 68.70169408 53.5562886 63.86198804 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7810.624235 7096.174002 6142.898937 6000.811444 6982.383651 7482.250427 7439.826144 8536.771496 7770.169996 120.5731783 138.8061094 219.2035256 119.6581596 4.07813e-08 131.4006994 142.9995048 4.07813e-08 4.07813e-08 4673.649116 5504.87891 5180.315952 7602.08803 6514.711351 7214.186112 7096.954213 8869.857763 7242.239876 7878.97416 4432.063849 5473.143357 5229.98721 4563.447393 108.5269178 5658.117376 177.6250288 4954.547282 PI(13:0/0:0) 673.0800151 6870.020509 62.77789849 1091.057224 6.713671836 536.9906684 811.3636653 2432.511386 4841.93633 15188.32037 20826.87088 353649.4414 8071.644688 14324.0421 66782.78819 66043.29279 389405.6968 16300.07962 240.5726131 4.07813e-08 29.58349337 249.6553395 16.57410924 3.880068325 382.7543654 4.07813e-08 286.7261113 110587.0598 9574.592006 9325.49433 34542.47203 14230.04506 6920.847859 16047.24453 155652.3935 9958.946296 640.1030502 4.07813e-08 4.127192438 324.1483669 4.07813e-08 477.8543843 300.8431958 65.68606653 4.07813e-08 306.8811608 157.0044149 558.1369689 485.0465363 7210.879259 14159.54069 705.094027 39673.74855 1008.016337 cis-2-Carboxycyclohexyl-acetic acid 937.5134356 705.737279 836.7564888 710.0747649 481.3890558 797.9693723 986.8627379 1047.424481 357.1565214 3687.20834 5595.836653 7341.560572 3494.200698 4419.636957 3709.030165 6227.484957 4673.951385 2438.172173 597.0981839 576.6030733 110.2321449 667.7316996 541.0920179 477.797092 1056.388691 1067.71311 508.5083336 4913.523493 4757.813626 9280.03487 5047.14969 7243.42513 6891.030355 5258.407097 5676.611821 6012.182901 2142.356307 609.5892444 465.9345917 530.7570288 582.8634741 837.0554885 847.1406676 1278.371114 657.7334489 630.6822676 288.1953107 767.6829472 878.0715968 1518.831791 6887.266101 918.3813944 6272.777573 750.7653032 11-O-Demethyl-17-O-deacetylvindoline 18498.34073 14774.7701 27301.5071 8611.64113 8103.407558 31086.73052 32769.48162 11889.3469 8384.495965 294.2316234 4.07813e-08 340.74371 155.478857 99.09394876 4.07813e-08 4.07813e-08 4.07813e-08 113.186843 53791.39213 64241.93713 47813.28022 11998.64546 120508.3832 114467.2448 50461.42008 54247.88607 84029.02196 4.07813e-08 297.2512563 81.77249334 216.2954008 131.7459836 4.07813e-08 4.07813e-08 320.8727129 4.07813e-08 22173.23633 34405.33691 15575.63344 93890.52775 21441.02625 64089.72199 106890.2264 63617.22236 34630.86985 74033.5711 28861.92939 50259.20803 6427.321177 14268.07906 26.37792283 20170.01681 270.3290384 40825.14773 N-(3-oxo-heptanoyl)-homoserine thiolactone 12574.38597 3049.007564 5851.220818 5759.411824 5833.666668 7716.637591 9904.36041 7370.738411 3187.313055 6489.078949 1367.189165 2846.647789 7016.900652 2359.02236 6252.024527 271.1688722 107.0342499 6610.025075 3273.051869 2550.630804 7499.220918 8587.388869 4283.239249 4634.814098 5029.664168 5530.635896 3665.695454 238.9783516 4268.121899 390.2173724 5170.565919 893.3084011 4614.024185 5562.167911 261.5985763 3335.371125 12943.1671 4009.583788 9705.079858 3839.545388 4938.403386 6136.553301 5196.520025 6304.06073 4162.963834 3008.733805 2930.464321 7900.266113 6281.591391 7210.099975 6170.049628 7248.761344 1021.240622 7002.396576 N-Methylflindersine 2475.100857 1044.902899 1433.270912 1115.027166 1188.414362 2284.278213 2567.294282 1264.851042 1034.806568 630.435812 526.6657037 561.160699 746.7152326 730.6193172 614.4048521 1089.104724 694.323585 695.2577227 3006.779427 3566.937584 2567.567166 2872.115596 3007.860664 3585.614953 3024.100061 3056.265913 3693.579368 483.9745199 712.5095862 1110.211764 704.0196127 880.4660921 548.6277384 256.317172 907.8918594 708.8375753 3710.999441 3132.299916 1955.741266 2348.130328 1817.252614 2607.727496 3717.842597 2720.624583 4832.277382 3663.909245 2384.043396 2298.399338 1837.480182 1769.386639 1181.435515 1934.675198 624.8215319 2610.1429 L-N-(1H-Indol-3-ylacetyl)aspartic acid 743.3499213 654.0421411 268.5960443 369.4879005 151.2252243 383.3180611 139.303526 531.6820408 294.9310086 2630.832084 3668.610408 3116.304769 3286.536753 1867.416 3105.248078 1838.220259 2098.384217 3124.143441 149.0892649 475.2687107 4.07813e-08 265.3846143 4.07813e-08 219.1636825 376.5760759 958.7532313 150.5696245 3950.515855 3649.45998 3566.451571 3286.163595 4271.052752 3875.593768 6078.919759 2400.685674 3116.199789 223.9015852 209.6917498 248.6266783 334.4723975 206.8182409 445.2444776 4.07813e-08 612.57275 330.0537461 248.2188194 161.9102558 267.4303159 4.07813e-08 179.3752617 6200.42857 415.4863067 5516.900146 275.1953098 dimethyl 2-(3-oxocyclohexyl)propanedioate 502.3856194 427.0299977 881.845082 332.071014 903.9591669 655.3878461 231.237853 477.3611006 581.7520571 116.4362532 245.2447094 49.558952 258.5205435 216.4088837 70.77413387 359.6531145 191.8002162 142.6279259 1160.466118 1534.753134 1656.349364 1552.916656 1315.397198 1086.343416 1485.548188 1679.846134 1755.573254 87.48818823 223.4217131 300.6047164 221.8345489 224.0346711 153.922472 316.7905652 567.9275496 87.65970049 1298.911878 925.1367612 953.7924642 1278.164782 1311.569738 1231.583313 1114.746708 1915.537133 1411.53516 1433.109421 767.7131283 1308.660767 1082.235608 746.1703835 474.2918947 1638.441273 63.80943215 750.3186439 Bacteriocin 28b 1360.837693 4860.863495 4.07813e-08 1184.651885 645.3805469 4.07813e-08 2535.61962 4008.705695 2651.29682 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14338.31441 4.07813e-08 799.2704264 1801.184953 2321.256744 11386.42266 1652.95061 3698.78686 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8.949049298 4.07813e-08 4.07813e-08 4.07813e-08 15.8125023 11325.92615 4.07813e-08 1545.300315 1252.601887 1049.842174 2801.966658 1414.055303 14557.03788 2428.602254 14691.65009 1294.008405 652.1753902 117.7901938 4.07813e-08 286.8918976 4.07813e-08 6914.222168 3-hydroxyoctanoyl carnitine 6087.927524 5337.832322 4794.379866 4378.17913 5083.88379 3614.724184 4420.154911 3426.341755 3411.619158 2333.178673 2448.429651 2786.616182 1848.915753 2287.189981 2509.599408 3381.940096 1925.009428 2880.892476 3269.997291 2825.709332 2855.750993 2403.048638 1930.913041 2124.227127 3137.824155 3140.037951 1900.287733 1622.079992 2657.000317 2034.278991 2520.7385 1317.092166 2684.627663 2292.873119 2606.265833 3009.418419 3220.370054 2268.336332 2400.75883 1924.873122 2742.66737 2731.858595 2650.546358 3342.383466 2097.499154 3372.878466 2860.713861 2894.240082 2542.075232 2927.275841 1229.763797 2814.115536 2153.279328 3888.124858 Lactapiperanol C 10832.18248 7684.853813 7215.414244 9252.251182 11177.80777 8387.895158 8521.567533 6623.670265 8095.381375 2385.725675 1824.587558 1628.899525 2220.470547 2146.405347 1239.289512 2063.176202 1946.927575 3467.071458 11750.38798 11077.87023 10308.50514 9323.229809 13628.93386 11238.04384 10604.55675 11434.63567 11296.51162 996.1990205 1584.707842 2371.184997 1785.946354 1962.704481 2587.354078 2817.115688 4978.350914 3797.926242 8374.340649 9287.786138 8119.884758 8594.956343 11557.72596 13287.72276 10908.55235 11015.7839 11256.76086 10406.89243 8166.06671 9201.817715 9012.362972 7685.611558 2883.694931 9091.441377 2466.670734 9535.839524 Haematopodin 118.4100488 8698.913367 378.3461012 258.7036381 1027.150615 1330.542644 1645.100619 6053.148011 5025.745105 7085.622884 13656.59476 11785.26143 6419.629656 14896.88597 4684.554345 10575.73702 12029.82023 9986.881027 4.07813e-08 4.07813e-08 4.07813e-08 80.80327607 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6896.604913 23420.68818 20406.63805 6847.484496 18236.51084 8758.964679 5076.428934 13651.80025 14911.2382 848.493789 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14228.14319 2682.849792 8576.160036 10754.57879 157005.8354 6525.876011 156703.5183 14332.89054 Dihydrowyerone 417.7179884 307.4922241 874.080382 496.8651023 658.2847675 741.0668784 375.532607 1036.470314 1017.791895 119.4995858 127.9445222 300.6549921 80.8502723 232.1544669 1700.689842 85.18246049 64.88079561 766.9201264 608.131484 813.8072557 1022.764471 777.3361425 259.7838232 762.6466651 748.4579992 409.010677 565.9788017 4.07813e-08 114.9990934 464.6892686 4.07813e-08 80.92570179 740.5153428 284.6205281 1169.576922 428.061805 700.0379016 445.1271765 742.773786 607.9221286 466.6754983 1077.981021 389.8059209 250.1784963 107.5838889 709.3300337 423.5191662 331.9266118 84.1083551 506.5230496 712.5624966 324.4820765 4.07813e-08 89.7061122 L-Octanoylcarnitine 7022.041659 5470.4023 5659.296702 5779.439232 4808.612973 8598.292767 8023.804215 3383.479483 6495.565519 1428.158474 1515.1609 1253.68749 1477.279435 1350.320512 710.0745197 1916.072846 1112.781375 2280.88163 4659.251874 5390.733295 4663.408674 4180.286743 4175.987098 3602.604915 4722.968309 3022.659842 3067.79767 897.264632 1959.584436 2246.933969 2282.151346 2511.384422 2471.879214 1407.59815 1819.86833 2432.39622 6509.427154 4645.519777 5108.409115 3076.262243 3380.408247 5611.616314 4876.640465 2604.64662 2549.590463 4153.263356 3882.820999 7415.24971 4582.874305 3564.142295 988.7595282 5930.58318 2969.443031 5284.354047 N(1),N(12)-diacetylsperminium(2+) 31621.24594 27651.66641 27758.45173 29530.64298 29827.7731 28360.2379 25409.47483 22099.28248 21896.14576 8985.011608 11577.76776 2736.874675 8735.885 2840.617194 5093.10133 2858.119521 1652.963071 3527.724504 35784.59615 33733.5618 32478.6896 32768.2268 38769.85657 37842.05867 31452.61152 32989.31376 34969.36065 1042.625428 6180.713037 8541.178651 1774.494385 6370.433255 5038.261522 4386.091771 2872.753598 3183.80629 20331.16276 32973.04623 27031.86645 32491.52467 35483.23102 34627.91346 33571.26138 32089.43421 45001.40843 23174.23987 21434.06344 22819.14212 23437.38687 17386.28212 4903.062003 24798.12122 4741.171437 27480.01398 Zwittermicin A 17827.98375 19501.29092 9573.340721 9731.767446 8898.874327 11612.83219 19733.95799 11156.43334 7616.078287 31131.78709 30333.55979 13077.94253 34405.63688 21178.29925 61630.72943 10355.28843 48057.48979 14363.66204 13315.00194 18758.98879 10323.14364 14635.98784 14427.08797 10931.9312 18136.27037 14437.64731 14138.31952 31023.00383 18634.09692 14588.69572 19069.54885 30102.61934 28141.25275 28406.27412 15876.27315 13591.41988 14432.40045 20117.17441 12357.0399 11945.02636 17174.06763 12570.67055 11464.71277 13951.79791 34042.83494 7179.995855 10275.52014 9215.96858 12067.36408 8981.341746 36796.99417 12136.69229 21044.16789 12504.14929 9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen 126833.47 120946.6005 117508.5275 129533.1898 60991.02852 390295.4838 255267.2811 120128.1379 121129.6025 4.07813e-08 4.07813e-08 4.07813e-08 166.648816 4.07813e-08 332.5579069 4.07813e-08 147.3343596 91.11547056 52295.74041 106171.8982 48257.10559 127073.6187 54172.2194 234406.4188 99779.26952 101736.654 128854.1247 115.6796403 4.07813e-08 100.61375 4.07813e-08 367.4571851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 90914.68438 98465.57949 65671.04544 59868.84622 102215.6165 54964.108 214009.6575 110691.0605 66716.58448 71416.53606 63277.67022 107236.3299 75216.25356 90045.86773 20245.35862 111430.7031 15202.65481 235734.0636 Feruloylcholine 3118.24279 5498.424052 4923.691791 2927.245062 1829.73291 4340.968508 3253.541915 8031.954659 7608.809576 328.5623792 187.7712286 261.5923643 192.1230644 50.27265979 4.07813e-08 83.47033751 354.3156843 288.9697769 5743.142912 7225.788495 5043.416081 6355.375227 5430.567134 1674.648324 3281.100405 472.0625503 1026.226363 101.5150813 119.1983962 199.8967063 64.40064712 74.7377708 118.9542249 372.2735562 466.2978895 143.5841341 5457.735919 6223.301662 6585.430734 2566.856441 3943.703298 5627.862314 2379.407637 580.7283314 401.6399897 6325.226389 5454.656989 7119.804474 5212.411443 3694.878846 735.1124001 7279.405545 4.07813e-08 4470.615948 Mycalamide B 41490.60001 33928.54307 44688.51056 24792.78619 19637.22563 33396.35358 22492.47501 39736.30845 31585.99112 7835.067692 6316.246499 13451.44068 8271.686522 10667.0306 13933.30187 11023.18277 7779.403976 16262.74181 21206.75195 25828.25205 28797.47256 27085.18342 8421.885918 861.9213704 11267.89072 1899.54202 387.3511194 7647.475973 32992.0308 15045.01598 22211.12515 17349.9817 12325.13796 20042.82873 12238.12657 15424.4521 38889.25104 13648.78726 33390.00651 23584.02072 15426.5504 15286.28403 223.9355014 2421.602957 276.7434153 37983.67142 29657.09506 32162.00958 27090.34296 26405.59939 13182.93523 29670.54683 11491.58302 24204.00259 Levomethadyl acetate 1420.570533 727.7728938 430.7338633 911.3537549 765.4935948 1976.191261 1398.891972 4.07813e-08 461.7774924 4.07813e-08 4.07813e-08 585.1640411 4.07813e-08 1033.549 1125.842197 138.3664977 1640.034214 563.9340182 5379.783669 4839.743867 3207.563615 3862.097653 4504.126813 6032.185909 4263.256318 4323.198732 6390.045953 848.8614333 545.2675673 4.07813e-08 1247.430627 1203.848306 354.0544235 480.1536383 1210.673061 91.02165255 3018.843935 4699.022903 2337.614496 3759.955093 5180.002562 3537.6233 6354.514886 4617.641597 5844.730521 3749.226865 2498.992889 2840.934572 1943.666145 1875.130818 1106.453487 2867.288873 4.07813e-08 2183.052644 Threoninyl-Glutamine 106517.67 199424.7627 43001.14573 19432.82709 36503.57996 61419.99608 41583.80292 115927.3008 132560.7176 306174.1533 140863.8424 525155.151 316938.8985 595810.1404 491116.8964 506709.616 511366.3505 594840.429 1761.164648 2382.359435 11040.69538 4002.819338 3397.728197 2294.440468 4512.508904 3047.78868 3257.325471 396993.2702 464769.6867 193566.6462 467213.4667 313966.9192 219315.1123 358862.4021 529202.0077 293832.274 4810.008755 3592.415706 3425.086753 2829.719145 1285.67396 2014.844501 2033.533744 4259.288411 2121.203971 3910.497609 259518.3722 104683.2675 307576.4447 132712.2309 351238.2271 125308.5882 239254.8701 182078.1363 Dihomoavicholic acid 203550.1538 376625.7507 81506.45088 43292.69261 73392.66051 153408.1686 92808.88118 201350.5137 248092.3159 412247.5738 256466.1398 763590.9772 462769.5893 1053356.687 922204.3312 557508.7176 1082299.234 836499.9357 7572.267901 5389.890371 22942.15297 22241.63237 6280.267548 13610.16634 13274.25984 3773.700614 8305.605316 555252.7668 625905.0967 364516.8556 637463.9328 448249.4521 313806.2068 444833.7473 728440.403 432295.7102 7788.032461 4312.229105 4836.979539 11915.79091 18299.57105 5832.609781 13163.45566 3269.455839 3278.730268 9167.794319 421335.8085 230855.3401 378789.6685 238462.5901 428128.3915 250402.6428 381690.2858 340642.4334 D8'-Merulinic acid A 2.458405135 10.43034677 1941.128668 196.1118925 326.0901231 13331.30806 416.1166998 603.8898781 896.4194004 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 84.73413901 4.07813e-08 4.07813e-08 4.07813e-08 3833.575928 27976.75568 14329.44998 8641.750268 22942.31968 59502.68786 4564.171696 473.9776611 5182.847838 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.816943552 2972.813277 1573.304616 9739.770285 14539.40708 5249.6448 40965.20556 447.5679979 2625.900657 45730.20589 9428.660055 16223.92514 1255.729763 297.8096925 4.07813e-08 5238.32255 4.07813e-08 1360.74285 10Z-Heptadecenoic acid 14377.65707 13074.24392 12822.14398 10549.80264 11853.99553 10356.66283 9128.407212 12509.29219 12537.10136 7923.763838 6974.532489 7662.980777 7845.202542 7226.524684 6082.659855 11253.1656 8575.403199 9452.896625 7632.367756 8443.53754 7044.463655 8146.736951 7356.244998 6944.333424 11466.03228 11040.19701 10486.11823 7964.658476 7234.346928 9103.81277 8369.741412 6628.399523 9598.232163 7941.682579 8827.871539 10407.46663 8415.242739 7552.976607 7805.942698 7214.337784 9836.03314 9080.662689 9509.726482 10802.53425 9531.786466 9057.376926 7879.828452 7904.141898 10923.17619 10502.42205 7690.905133 10036.24013 9815.373451 10079.03251 Betaine 11573.79079 10109.04015 8497.463195 6976.033959 7962.423668 6694.622493 6733.631164 8861.464183 11476.5093 6668.160555 5449.823381 5403.328595 5382.552947 5227.811874 4121.574908 7857.255093 7493.545657 10027.12579 5499.881498 5980.493804 5830.371585 5108.225042 4900.302598 5382.447856 9434.70908 10824.52034 8281.968763 5051.523762 6387.450598 5648.533033 4871.486926 4706.47805 8264.000911 8014.541984 8818.951959 8302.785669 5886.774946 5139.944444 5411.768521 4802.333925 7247.429473 9028.864619 9115.234471 9182.284908 6153.035516 5696.462722 5563.374325 5488.785378 8495.356389 9426.119073 8290.92545 8580.414949 7714.73791 7941.782511 Benzamidine 59199.56447 42677.1612 74899.92022 53933.24033 58869.63995 64380.11694 66003.90496 66185.8239 40373.35371 23322.2229 22055.15406 24491.09596 23577.21442 17869.45492 26815.00208 15402.84546 8961.550899 22216.64498 140411.9536 138392.4733 130893.7009 123167.2354 144505.8162 121110.5836 127980.9919 104784.6293 162763.8409 44484.97801 32302.9937 19122.67492 35643.50254 31770.91517 32118.04214 54232.84871 17891.65962 16097.95129 88806.40342 103703.1608 120526.2669 135973.3921 121695.3099 147011.765 112109.7488 132515.6266 138631.9911 128352.6024 98933.91529 119235.0345 105402.7746 99156.63355 37504.58339 111555.5021 32536.74275 124986.6829 2-Oxo-4-methylthiobutanoic acid 171952.1348 154550.9364 126218.8569 135411.9046 127119.0921 121138.784 173296.0079 209522.1126 247895.8199 163482.0619 176055.735 168349.5109 171395.624 93593.28323 133949.3158 124337.4982 243469.6206 204993.4905 62682.10107 51204.48419 73649.23591 45290.24938 74808.36384 64180.78715 68177.54079 50353.44595 79067.38316 295656.0149 169186.7367 144737.5924 215492.3469 150723.4083 176727.9673 195908.3062 185958.6085 69092.31549 80937.30481 84015.08783 97533.19889 96200.35132 83741.39371 61064.79014 64005.65791 56930.23206 40246.3578 60531.73331 93375.03782 111303.1066 122631.8223 122639.3177 112542.4538 118695.711 222115.5595 91308.69603 Ketoleucine 56469.96208 57716.00818 56294.904 52161.5588 58535.26957 66778.36898 51123.71821 57454.38933 53206.28557 16082.3208 12740.53722 10206.23504 15722.07557 10502.01891 7918.956963 9509.185466 8543.788796 12095.62861 85866.97762 66410.0533 100345.1716 61473.30401 77128.52065 63269.98501 68896.928 94724.06656 66010.85822 15903.98858 16433.69995 10756.9837 15856.34397 15726.02132 15943.68379 21736.43302 10454.58174 10957.43996 68614.4855 61507.97412 82238.59528 75635.50414 69892.47331 68377.27375 64866.67429 90927.59853 60296.19027 54541.00608 34590.48072 55561.91532 52371.85897 67126.90203 14787.47183 52669.42325 17557.11541 44597.71841 Melibiose 13115.18528 20199.89965 19963.18519 25774.06602 19382.04381 14787.0322 18370.99691 16157.39295 6236.982589 17638.33062 12691.2943 7782.162667 4619.910993 11971.56606 14454.18952 3284.85871 3805.592942 1914.245375 5282.739605 3557.666187 6056.394997 11100.82501 11012.31386 10417.55593 10751.76474 2559.079943 8186.288052 1670.443118 10973.72702 5580.322883 10328.52185 12157.92445 9771.508826 23840.59517 2337.299243 21019.88499 6265.16893 12872.73385 16557.32765 13045.04929 14750.74791 7670.857387 9752.473984 4438.343315 7214.268404 6543.883665 1891.825263 3486.822506 8614.261825 10637.87371 5471.186172 7997.169243 14539.25946 8900.054268 Phlorin 15881.38547 33070.88392 26318.66774 41040.72786 42793.20015 52238.32497 69282.35381 43171.20489 13503.26133 34741.33215 29926.27158 26387.73855 29837.71818 39791.53615 21452.32315 26988.14711 13595.43689 14755.09529 10275.98458 16174.07068 11931.29831 18737.97103 10090.28074 12501.92819 17817.87119 14833.43605 22916.27411 8585.716294 23111.10918 34749.09764 19818.75558 32811.2377 33381.26516 24089.99673 22394.7329 32187.99053 20487.07357 24542.65368 21618.77334 12499.89406 17784.63552 23989.43765 6413.70595 14051.22326 11758.16785 18180.96566 12916.12048 16849.52313 37310.78976 26613.98699 18225.3703 23853.77989 21739.05511 14977.84482 Cycluron 122183.5382 79047.28227 82266.76026 127022.798 61206.65317 102873.6223 197230.1004 223492.5131 268406.5336 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7156.035196 3304.546056 16855.95879 7226.066982 44180.168 34759.79392 11413.26157 428.9284471 53634.91599 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34201.77417 77196.34847 53815.46519 26146.39691 9717.87781 8757.625222 81787.85948 7203.262466 4.07813e-08 38024.87358 14397.483 71364.8952 62030.39765 70795.51824 4.07813e-08 53632.32713 4.07813e-08 102340.3395 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 6322.827756 4577.406478 4670.624426 7122.847806 5119.890306 4481.945335 6522.206118 2705.166311 1245.299685 6506.235214 6764.685174 5411.091789 6670.958198 4459.047816 4295.351851 3841.098 3101.082456 3364.216429 7292.773516 8494.184261 6895.861806 7152.366618 9161.810856 6977.90958 7780.766843 4937.443414 8361.578508 3513.50718 6779.765883 3579.81423 2910.87893 4195.408156 5015.998803 5293.473645 2763.182065 3632.870373 3651.258721 7094.393249 4712.932842 7895.220192 6737.24557 11060.01119 7508.616322 6499.548467 7712.800224 10276.98789 12265.53896 6638.796508 5060.791457 5303.907621 4623.618643 5273.375544 3863.560538 8167.731961 2,5-Dimethyl-4-ethoxy-3(2H)-furanone 81474.7684 95941.35187 76449.21864 61905.7135 69841.33193 74813.47542 92270.01155 80918.33796 67717.71157 72336.38898 58945.70303 19254.57202 75933.55266 13943.17126 38688.66097 10962.08702 28203.77502 37376.69882 92716.06324 71717.30167 72595.0092 76094.96977 100326.5874 86526.17197 83788.37508 90177.60001 93111.1199 65122.38586 68419.52085 16131.47785 50623.87739 68652.51899 42912.29201 66828.59358 16355.31249 15958.61795 103172.118 72407.62302 74558.69426 87997.75499 80679.35852 91705.75874 76607.5131 90051.2146 87714.77853 66824.09076 48692.49128 69827.7719 68380.2755 78432.18658 65978.34868 68980.41084 58429.99782 69084.46313 Methionyl-Glutamate 8453.734005 30852.88332 11215.40519 12917.57156 5291.611608 4785.235511 18557.56812 25501.90187 20521.0237 4154.91025 3802.927017 5018.935858 3325.301928 1566.234757 4455.652577 1946.698116 5149.987687 2968.866891 1048.567092 2316.448094 4860.50242 552.0779245 668.2278015 1896.773172 2061.456995 2277.553633 2496.766113 2264.014305 3035.732966 2545.799908 3958.806913 3302.788891 3435.57047 3862.808963 3721.244821 2637.427753 1603.78935 3279.699882 4102.829241 2109.772115 4088.239412 2286.558212 1401.693523 3654.652318 1092.977746 3153.514238 5733.430954 4156.086816 13360.20138 28185.73628 3206.957396 5923.932211 3838.856911 3546.081571 2-Propyl-2,4-pentadienoic acid 5467.759694 6362.992221 6781.942777 6141.511629 6104.36566 5055.128635 4996.594555 5613.570511 6186.68962 14528.1934 13430.81211 21550.26713 13242.56743 18819.7977 17646.78429 12673.92506 12374.50235 16276.21075 6908.471541 6300.208438 5303.084307 5114.058184 3819.657519 5382.363049 5746.895189 7990.168352 5631.409083 11628.42184 20741.85284 19254.38099 20338.83376 25293.83793 24360.33656 18826.55078 20784.42626 19029.59403 5586.50846 4230.771973 4593.408855 3849.319875 5437.174825 4446.83257 5144.247862 8610.255094 5016.850334 5486.513885 5826.979663 4891.780838 5340.550532 4937.654889 20288.68756 5801.378049 22028.73761 6142.261019 (R)-(Homo)3-citrate 18377.3914 15329.43679 15507.58804 20301.93154 16821.73881 14977.66988 14952.34992 9048.85902 6298.319201 565.5984298 101.7886784 186.4751967 666.8560891 1154.195949 3751.861579 1765.886522 278.7959663 500.9976868 11728.78915 19003.13656 11104.84638 15065.80064 21477.08552 12498.86368 15392.88805 12620.6666 15146.22694 3950.006786 598.974917 1084.274586 1004.402335 1230.265445 2669.756106 1275.428164 2483.306976 2635.799156 15219.64255 14181.37319 10583.08155 17262.91596 16547.63587 18801.63076 13069.4043 12712.5383 16106.96385 4736.954843 3040.229974 10293.22105 11498.55128 11940.03318 411.5154746 12598.56993 132.2789772 13056.91234 Eicosanedioic acid 43620.12893 114243.1785 61395.4971 54127.71488 59915.15784 49591.00232 34974.29956 35259.91758 106772.9838 31651.90043 20758.93065 22898.60654 37941.04839 32752.84802 54944.52756 46902.99324 27152.76936 19491.15813 42413.27821 67061.00695 62150.74383 48498.11669 124727.73 45032.78847 37744.76863 128598.3441 70269.8367 15768.87472 181321.2282 44749.63604 43215.21179 50901.93357 143846.8219 19899.3986 43919.91684 37810.13573 58993.43429 56448.91399 90732.30886 46217.06229 33403.28302 54891.15079 107657.4513 59467.4788 68543.10413 201289.0232 65219.63328 58849.8414 127376.6027 50989.49127 106864.6184 34252.99254 37641.40669 52521.30675 1-Heneicosene 68640.39025 66351.10004 63336.75806 64318.70339 64585.33824 55886.56856 58531.73121 58553.45876 60538.91273 43180.36084 42241.71812 38591.2693 42126.57253 42652.38992 38197.11242 48631.83439 38330.20155 47266.08706 41916.33346 44245.59339 41971.0546 43099.89253 40667.97174 42054.02687 47562.21934 55489.87052 49897.14591 37493.42694 44816.90599 50227.14839 46643.68595 42050.51165 42603.87033 39684.81285 46189.66788 49316.73887 53023.53126 43946.31791 46927.73496 41377.50483 38526.70783 45021.46587 42625.85974 57743.56422 47938.6616 52985.74355 50911.60103 47255.39655 49645.55971 50409.37319 36464.86451 48845.27445 52144.80595 59823.86883 (Z)-4-Dodecenal 67337.9266 64345.26564 65201.78827 64484.11927 62590.27344 54386.12642 57054.77522 53047.16224 58180.24924 41632.08063 38833.59733 39470.67619 41462.95856 42276.07736 35094.46914 48512.15199 36928.79021 45083.61728 42403.36277 44314.21216 41847.15465 43730.13451 40911.65178 40824.29528 43920.79126 50433.86485 48993.15207 39001.23961 44174.13387 48921.95509 47648.73354 38797.33218 41240.25063 37317.66543 45226.80215 49111.9979 52092.25222 43640.6043 45285.91299 39932.03902 39059.91914 42395.32357 42568.94832 54550.0463 47646.17753 51011.51777 48802.54486 46956.93244 45716.34284 46366.01873 36732.0155 49279.24282 47561.17653 59058.16238 Anandamide (20:2, n-6) 180983.4616 186783.1453 185682.7984 183270.6306 179346.5533 159110.4134 178265.6922 155592.2767 156961.3399 169431.4601 155955.1417 122870.414 141924.5542 174761.4819 103987.5197 202178.3898 113311.3393 143639.9318 124009.4296 132958.7165 120249.3055 128942.0018 121602.38 123458.8936 124711.5308 140337.4408 131635.3365 108321.697 128412.4372 150667.791 152597.1755 128188.1296 111985.2942 103071.6264 195735.2448 174325.9523 148163.9371 130878.4808 141180.3199 120027.4967 112013.6393 112277.4203 120985.3304 149773.057 136208.4813 157224.6541 144642.9434 147689.0227 134905.0676 130268.8344 103802.2592 132381.9656 164425.2331 163613.9042 (E)-8-Hydroxy-2-octene-4,6-diynoic acid 37042.95612 26346.55626 35024.88177 23584.30282 20615.59335 35595.16421 33235.77751 31005.40201 37719.92328 4782.004767 3927.032019 4412.191763 4319.932775 4535.245915 3982.108594 4849.62548 3502.220521 4415.977683 18896.82916 18760.16149 22762.10993 19806.56563 24621.23203 22681.7808 18799.00917 15791.57515 25627.32831 3644.162325 4589.906184 4914.62084 4333.301337 4529.980964 4630.811175 4569.226181 4618.506131 5224.554828 15812.56878 28968.74615 29434.80371 27042.27321 18724.45241 21168.96073 24193.62712 22627.70475 15288.90291 20170.51785 16215.91179 25682.60144 24542.735 20500.16012 4291.04913 22527.85267 4622.494445 27372.03504 2,4-Dimethyl-5-propyloxazole 228.7302588 116.1953106 489.0345211 827.1237588 456.3642738 389.5704504 343.7287744 304.8394322 4.07813e-08 59.59171316 14.4669178 117.1077753 4.07813e-08 28.29019048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1183.421201 1634.860915 1370.822898 1177.981476 1346.985995 1636.222717 1305.318975 2077.674332 1323.60363 108.2077001 47.51442801 4.07813e-08 4.07813e-08 75.42948414 29.53554039 42.7031318 4.07813e-08 35.03860836 770.3939748 1109.260005 668.0566766 1231.052096 1530.254112 1387.193015 1379.00472 1635.536887 2330.541645 721.2235166 281.390437 714.7529146 388.6191749 467.5940235 90.45638235 715.061389 4.07813e-08 543.8466736 Carbidopa 1228.083037 3088.942501 2623.064933 3865.429452 4802.968623 2036.268506 3360.999068 2402.303819 989.780725 1664.434809 1446.68365 2436.605521 1372.609585 2239.108403 2754.130319 1512.690232 227.1061525 745.838732 3671.413828 2569.743791 1846.973802 2911.732649 3041.552384 2008.539045 3442.554017 3981.957165 3479.108124 2869.314607 2717.243114 1676.480602 2224.920875 2890.659296 2855.001567 4020.136438 751.0429017 1850.213625 3740.86005 3294.225842 3506.714021 3566.156959 2796.252286 4556.130565 1775.229812 3945.169138 3644.367817 2073.770153 1816.355213 2273.714069 3284.608783 4908.710528 3401.160968 3572.84464 2852.005994 3738.825502 3-Hydroxyphenylacetic acid 22202.17939 16467.95135 20056.55067 15415.05957 18287.72985 17717.25668 15524.19311 21958.41895 19924.23641 7466.476038 8512.970933 9332.807113 8331.486986 6238.812641 8589.97677 10179.15648 6717.126431 9346.510129 24593.76514 21897.89949 25642.62228 21079.88811 20675.58242 23847.59755 20018.21721 42157.19917 38095.41488 15005.65176 10127.83624 10678.1412 14021.1807 10994.35514 11446.93522 10699.38039 10959.62188 10098.00737 18758.36221 20876.34273 25202.84251 20614.26015 21816.94634 20668.9779 23044.11198 45526.52767 26341.27171 23372.06277 18631.38975 24309.12102 22398.46634 21717.72563 9910.058988 23036.60322 9235.432673 24387.48452 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid 7451.660269 23164.62762 4791.851211 7628.325829 2453.767188 5393.440325 6743.154438 10346.98119 11740.33872 13266.20157 15784.67583 5435.032894 12053.59322 2104.715631 21591.14584 24332.11372 5116.982917 3575.119041 2940.05031 3828.367612 4330.513715 1432.500642 2610.270731 2738.433226 3202.243349 9840.232257 3434.387013 5236.698959 13272.17493 1931.749708 18184.08341 2337.650313 11163.84816 20301.98786 7822.613563 10940.14746 3275.807405 3077.42147 4430.05928 3536.767545 2117.991628 2647.220322 2656.713189 7922.403723 3399.471802 2282.603935 7790.123549 4063.775118 13516.87033 34812.60782 4048.008988 4022.037289 7176.680852 4653.273927 Dopaquinone 1870.42839 2215.408155 2776.494375 1628.078838 2635.624053 2478.721577 2146.562214 1810.811674 2890.291684 1080.158392 1683.667382 1301.446119 1809.473905 1639.9449 1254.651486 836.1668312 1470.447575 1909.122729 2135.725429 1987.130931 2242.952479 2305.182511 1992.193067 1984.865077 2406.841935 2352.527572 1728.600468 1257.37805 1834.703578 1814.742951 1554.956671 1336.9094 2081.536761 1723.503288 1595.755945 1682.685398 2114.295574 1791.990745 2133.776401 1799.345065 2019.365454 1878.704283 2074.157306 2255.703087 2276.98182 2867.583243 2412.710862 1848.773466 1627.755704 1704.139022 1409.462188 1952.012113 1778.985792 2359.776715 S-4-benzyl-3-isobutyryloxazolidin-2-one 8914.310916 7055.623115 9057.735907 10117.65347 15626.31739 10253.65568 15789.65271 14291.15327 11436.73502 526.2447786 583.379084 1634.660849 156.0217405 537.2039166 1172.794646 132.1245451 221.8408169 1039.200723 21644.06414 32265.78822 10332.91035 23700.66275 52732.24719 87936.003 44460.14799 28688.74691 50198.89404 323.3775904 984.9326902 821.9432396 868.4610893 1017.119939 775.7448482 649.4775385 507.0702886 638.323578 19016.84639 17676.65832 6008.133727 24719.19331 35203.45308 30564.69439 80612.34493 29319.79682 42580.93313 31806.7921 18692.56101 13370.42024 8602.129454 8685.207224 1123.986675 10392.47494 1330.36441 43434.88477 (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one 7550.697368 6302.715114 6502.79803 6713.900775 5025.0957 7661.35398 7949.438364 4269.828732 3258.460492 1864.684735 1396.872561 1723.885655 2218.302884 1253.567527 1431.328399 810.4501933 4.584132148 670.7685181 12513.61875 10021.81898 10242.53654 10548.79982 11541.45005 12261.26742 8231.769285 8453.08081 9660.872362 637.5879482 2190.04108 2486.610204 1715.488108 2606.633343 1267.933713 2293.430982 188.0451664 1647.51588 10435.90424 9528.212941 9484.634631 9735.836008 12241.33296 10475.05609 10360.51933 8002.626442 9689.849776 9550.733587 6595.425011 8225.075003 6636.517106 7586.907379 2693.165227 7946.980539 2144.065359 8607.329136 Flutamide 164008.2094 163607.8852 154660.6902 155673.1808 147299.4243 124018.9099 126194.0838 132039.7492 146286.6867 98774.04331 102905.4699 93038.06102 90704.76922 96890.58293 76329.74701 113042.6262 86835.82161 106140.0497 110036.8234 105057.8613 96987.57833 98486.49752 87358.50781 94015.90716 101338.1161 129618.3532 116603.9009 85283.07535 106820.4991 103265.017 104385.1978 87886.13684 86805.87721 88281.89761 110672.8496 118971.4365 126715.3448 106609.235 105373.4724 88499.83123 81346.52489 98201.27509 108557.3537 133072.0125 123280.0724 119048.942 111317.8426 103684.1597 108200.6008 108040.8033 84668.5804 120390.2119 130103.7376 136773.8062 Iridotrial 121503.356 121091.8749 113590.131 115567.3316 109740.6624 94658.91794 95322.41025 104114.9193 106644.9544 73445.32313 70920.22349 65445.36497 69740.7992 73680.35048 57356.3939 85711.34633 66530.23369 79685.9078 80737.27689 82895.1296 76927.16593 77514.61639 68664.46877 74027.90511 84966.06826 100880.7743 91268.68558 64313.46192 77672.35913 80177.50109 76881.74737 67001.77875 70354.44935 67844.85137 79424.88146 83191.36291 91633.66549 78931.79214 78990.36855 69970.64284 67131.30304 79818.47171 83021.56569 99951.03911 92436.08728 93161.47063 85050.34791 79390.62698 85861.57513 89109.64798 63747.00841 89256.62306 90436.79187 101445.951 6'-Dehydro-6'-oxoparomamine 3913.499442 26492.12766 1621.347959 1828.044464 4.07813e-08 1429.239299 6706.128795 8124.845667 13295.53116 567648.61 355580.2235 292189.793 576625.1435 216711.3162 281272.4681 236461.0799 212378.5128 525906.0198 387.3290144 117.3383059 579.2670195 157.7464888 55.80932953 71.90600372 296.5394412 1988.124064 373.1721397 405627.4187 328969.1422 264398.2414 255826.8649 335482.3401 171250.7007 332214.0704 227459.3623 253020.9443 892.9842539 152.0777299 555.1685989 308.0729128 485.3866481 247.1763405 272.9104303 2247.056085 365.195054 79.6467039 4127.205434 1678.487964 10478.33546 37084.54959 306002.6182 4052.700745 343531.0547 6592.429304 1-iodo-2-methylundecane 119.3538922 2166.128978 544.360571 573.284871 1045.481885 577.6267377 248.2527622 659.1554909 787.3048332 134.557428 4.07813e-08 316.6431935 4.07813e-08 4.07813e-08 203.9990947 4.07813e-08 4.07813e-08 293.7782839 742.301323 1717.421983 1924.766146 952.3683947 609.1086634 4.07813e-08 557.7937233 117.7114388 384.0470296 54.21311303 85.21773114 85.73826473 37.02945523 4.07813e-08 98.38184474 4.07813e-08 0.000657651 4.07813e-08 1616.812979 1281.455518 822.3112184 250.5917208 578.6411981 1467.047426 4.07813e-08 315.8922808 495.7914016 710.5025307 729.9857384 355.737324 969.2043575 6271.265599 222.5492994 898.8603397 200.2997355 194.1081047 9-Hydroxyfluorene 4189.823086 3099.763977 3592.289824 3647.446864 3460.042621 3994.872704 3799.800351 4120.411715 3557.552869 1222.409888 1481.024112 982.5151299 980.0188861 1160.674242 1089.137141 1030.931843 1412.429499 1332.978324 5631.373521 5427.943781 5510.313649 6303.66393 6340.329931 6223.946304 4953.946682 7794.979852 6433.013135 978.8028859 1264.514792 989.1560458 1227.639476 1832.173211 1327.514883 1374.367102 1301.714878 1056.679046 5051.283388 5666.341922 4558.360921 4734.06683 6014.144035 5513.671213 6217.067449 7157.870034 7642.012697 5128.215456 3336.021297 4301.540545 3992.903482 3510.605622 1764.763575 4061.577487 1062.135818 4248.093512 DESOXYPEGANINE 6983.265995 5390.856539 6957.397006 6341.693013 7030.578381 2860.321311 4915.393702 5508.766344 5164.824384 3153.545469 3269.6733 3344.253489 3415.944161 2818.111772 2384.728087 2012.716278 806.091019 2376.916778 15468.71794 12913.26852 11426.22959 9538.599851 10786.53832 12040.07621 10238.97837 12543.79433 11380.68352 3340.327339 3783.861357 2930.379147 2759.927531 3685.732589 3646.392469 4437.330045 1755.48616 2831.747602 10198.70438 10885.30271 11232.92518 11627.1892 12470.67091 11128.41442 11957.73248 12905.23877 16096.22165 8600.29613 6821.577764 9119.646675 8131.47036 8135.651028 4583.049438 9920.799585 3581.110353 9483.716688 Veranisatin C 161.3894555 4.07813e-08 107.859957 4.07813e-08 4.07813e-08 48.9367633 27.04846914 4.07813e-08 0.048242119 45.06284704 16707.86219 13.76457862 53.07503868 217.3223434 2018.109689 53897.33092 66923.01517 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 62.26237689 4.07813e-08 78.48545983 4.07813e-08 2816.448734 1194.981692 21474.35918 4.07813e-08 67028.03221 4.07813e-08 36994.74269 22910.73951 4.07813e-08 43573.60261 20021.24974 4.07813e-08 4.07813e-08 4.07813e-08 107.5386254 143.8971957 80.26931701 40.23492246 2349.048187 2459.472346 4.07813e-08 4.07813e-08 4.07813e-08 39.56013997 4.07813e-08 2956.5019 147.5737584 13534.98163 4.07813e-08 Valtrate 19179.48641 18445.85562 20720.78607 28199.15448 28551.66166 20331.78772 13622.53038 16543.86817 14511.28211 4719.735643 7199.885448 7681.08658 6287.756449 9015.982403 3440.790696 4140.374236 6283.981158 5496.748486 24065.88792 20091.80959 19660.40902 22881.10704 20226.39968 21559.14863 22721.1397 25316.29829 21168.92019 3294.666445 4527.924775 16609.86833 5366.543978 9739.325102 7093.42615 5898.276321 4590.581667 15750.03373 18630.6084 20542.99041 20113.59289 23397.12423 20281.82571 22327.16556 20893.00362 25758.70795 27587.27005 19573.00422 17766.0766 16230.75717 19386.09242 15912.25485 6414.342378 18697.89605 9178.957205 16501.21087 Enicoflavine 45782.43932 35575.61269 21594.29885 30413.32956 16434.90283 13689.72163 39434.2305 39274.5119 40593.0009 15519.204 13683.91542 7788.959671 17366.78808 6524.577161 8759.998499 4533.490538 7784.303495 15171.41445 3607.244786 6226.105084 4266.254393 2422.494727 3055.498771 4228.32345 5399.244413 2935.346342 9776.236928 8718.541532 9176.375094 7344.996559 7750.538266 12598.80285 10328.89021 13089.09442 4749.400623 6137.426263 4440.58722 10575.60585 11128.97671 11878.32906 5084.98128 4734.5114 4817.131823 3432.853205 2257.948693 4694.358381 3375.067672 7423.160636 13634.22795 18679.71656 13091.40848 11336.45471 12216.21603 11264.3061 1,1,2-Triphenylpropane 2078.40141 1583.167371 1201.784703 1437.299378 1246.964376 1382.480688 1340.072029 1986.763274 2569.602211 5039.347467 3205.84244 4982.498209 3137.508136 6772.419011 4981.150073 2906.81341 12457.36159 7851.34943 1017.015801 1793.741424 416.3806859 1492.273634 1540.04401 1958.950254 1007.221607 1122.3879 1367.201673 4908.812954 4575.919417 7971.296081 3757.669874 10445.99789 5731.717073 4021.72233 11227.62352 4986.455808 799.5328548 1218.099077 749.2899119 1442.770102 1422.578512 1392.550075 1636.580262 1416.261607 1464.979513 1022.814496 1015.662464 1040.436699 791.8393612 1426.467933 8385.205829 1073.718656 2594.619705 1190.612181 N-Desmethyltolmetin 8468.160957 7946.308831 13760.82199 16985.49052 17141.37509 12282.63283 12755.40512 6739.993404 5650.083954 8703.26067 9050.637154 9348.363217 10238.46679 9708.813715 6197.40338 8521.72092 2406.54452 7228.581445 13606.21532 12409.61124 13684.44558 13824.33221 16235.37168 13095.92884 12789.71946 9276.346215 14476.10476 5685.605828 6329.600125 6714.136628 5255.332276 7344.264024 8304.644769 7584.45288 5012.952395 5783.972003 13058.6148 11635.98075 12144.21705 13941.28148 13843.09874 15261.02188 13136.30638 9775.250865 9244.017102 13365.37305 8221.233237 11517.64087 9117.613313 11266.27358 6710.847556 9183.060477 6583.519788 9016.671352 Abscisic acid 1986.820792 2532.652552 1380.552863 4017.037287 1565.93469 1244.563279 3427.948445 2519.963866 2025.191924 30534.45778 25994.38951 20684.47029 29097.93237 20712.43215 22009.48359 13559.87622 9605.087402 22102.42152 2141.217166 3503.664424 1042.600722 986.9315556 1887.115637 1890.293985 3460.484276 2351.32138 4377.964146 22958.24961 25151.91523 20832.28945 15066.81772 29102.94903 27279.66708 10558.91986 12017.46838 17277.22989 1442.968022 784.5869604 1320.913223 1368.708154 2277.78719 2397.79269 3810.505531 2595.093304 1431.785766 560.4385722 926.3538519 1184.843939 1113.311384 1382.114613 12194.9632 1417.43663 22613.11076 4548.270225 Hyoscyamine 3777.491462 3869.522934 4913.774584 2723.06501 7360.155872 10510.29638 8323.014788 9792.67701 3492.025537 134.8815027 840.7856211 0.553213706 99.44525095 128.5942023 338.5033169 507.1531743 1611.795102 4.07813e-08 8741.537377 15062.87038 6174.010192 9642.215613 28133.27459 35253.55732 15124.75006 26402.01658 22632.47545 884.6128158 228.6438247 1221.962751 272.0030212 1025.377752 900.4839947 707.7645749 494.9253114 501.9903633 8171.965921 6379.59611 2845.480634 8045.015487 13266.23845 17181.45398 36834.98133 22373.31002 17695.80826 22392.54411 11853.68217 8434.303436 4261.924761 6186.170414 1016.510344 7158.195465 3180.802567 11864.90834 CAY10487 877.0483289 1354.679279 732.7839674 463.0113038 1149.327564 633.7903626 837.7818263 396.4072198 237.3155074 4815.633745 16899.65406 11897.46955 6674.600752 13113.11491 2879.202629 8114.224266 5123.571406 9680.482206 854.3142335 1772.598823 980.4468201 419.7614352 1949.569277 1161.606629 647.2860983 620.1524302 1629.831002 584.2314949 6015.971795 13701.50783 2390.078609 8650.391785 3767.900513 898.1308111 2649.558462 7873.689645 927.0618686 365.1220657 359.1136121 1038.090537 557.3323899 340.6306901 1303.509119 1071.150508 621.0794919 2812.141936 351.3140374 1136.556338 933.9753019 929.5736673 3935.520674 989.2475513 7568.537506 1286.259429 4-hydroxynonenal 6199.852379 2952.068163 3734.39038 1515.905629 1831.284856 4644.188908 4957.178247 2787.781041 2280.644336 48.75839141 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79.95767124 8152.182937 7983.104155 9516.350652 10912.16675 7520.297905 5879.973395 6845.536411 10224.28019 7527.34284 4.07813e-08 48.41761203 4.07813e-08 4.07813e-08 81.20753269 4.07813e-08 4.07813e-08 54.16092349 4.07813e-08 6101.380369 6639.448869 6215.364269 6630.759947 8570.041933 9061.998883 5431.714858 8407.778323 8899.392546 4665.069693 3133.691168 5582.407367 4976.536277 4061.683718 8.2853111 5102.59132 127.5213122 5028.883568 Alpha-Pyrrolidinopropiophenone 4.07813e-08 4.07813e-08 293.9955075 4.07813e-08 4.07813e-08 4.07813e-08 164.0932399 196.9822803 217.4301681 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 247.0666851 502.1608663 892.7225129 4.07813e-08 343.8517331 421.8144952 515.1580907 10037.80776 584.4166817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 312.3253633 382.183614 4.07813e-08 4.07813e-08 4.07813e-08 1210.345667 679.7129667 11224.06784 4.07813e-08 4.07813e-08 4.07813e-08 83.79124247 95.52963573 107.7359038 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1-Acetylindole 950.8054029 400.0991513 1382.83381 665.0527881 477.8045558 1714.40348 1361.464324 847.3402688 734.4235664 139.458959 47.99221705 76.8552704 71.50411584 151.4192569 41.16089991 361.9765784 246.7073032 392.2640311 702.200145 1028.107332 2298.712405 1728.996035 664.9729383 723.7351661 877.7028821 720.9227299 655.8784938 92.77335656 236.7460023 348.2388988 172.3733836 56.51079452 280.7087837 124.2039143 225.5634115 386.9931122 1381.979966 1132.483152 957.107967 1054.70608 1324.115838 895.1032501 1302.108077 750.5334725 352.9585785 1058.522105 614.5154059 1327.529106 762.7898401 923.6813081 210.9567615 879.3959571 98.20761317 697.9954393 ETHYL 1-BENZYL-3-HYDROXY- 2-OXO[5H]PYRROLE-4-CARBOXYLATE 3508.995386 2692.71828 3091.320304 1454.25347 2759.967134 1727.426795 3023.945619 2310.929812 2698.841641 2229.149314 1338.533529 1395.32254 1838.583493 1113.05934 909.2340274 792.7494401 5854.845909 1048.401855 8001.356293 5973.150849 5176.506001 5409.737575 6949.035395 7642.713655 5837.755652 7578.167173 6505.55702 1675.506936 1012.166121 1180.407459 927.7898028 1543.895924 1245.106813 2695.897208 5879.331724 3791.126286 3925.626241 5500.264685 4403.84282 6146.20535 5512.075767 6338.861664 7397.355752 7733.074084 10837.49626 4820.272225 4407.56875 5666.752799 3574.407744 3683.817213 749.1725705 4533.252884 4756.899458 6015.885389 Rhizocticin B 3830.195757 5213.753038 2480.433796 7846.034498 15555.08184 4055.218619 3798.668655 5243.406831 3621.703463 1341.515327 1840.776058 346.8306783 1871.812205 607.8095171 1269.776077 988.0945801 543.0993689 712.4992902 1594.512259 3849.948876 17911.78957 17263.56336 35844.35651 4262.471189 11635.34226 2111.141655 16905.93259 2195.180608 1294.127059 999.4612527 626.9068337 802.1610519 1217.706226 1954.09445 5.034083888 1015.038157 5118.277022 6360.768548 5297.83135 24667.79813 15710.5415 20756.83242 6531.221221 1605.316028 11513.06873 1940.392586 891.5916634 2058.771598 7170.217498 6941.088004 974.0039372 6485.940912 1658.672143 5133.735126 cyclic Melatonin 16162.97009 6925.469777 16063.12332 15597.81533 22016.38831 5442.412742 12453.55565 12358.48153 8978.383099 481.5071917 923.2414395 1033.612874 747.706876 1835.824217 1304.946836 580.8768744 2555.258266 2105.647524 25161.10155 27671.97561 8374.065944 17490.38606 26159.67973 27045.31171 21578.61557 16253.14184 22324.24374 845.8637237 782.5407098 1008.447283 870.1901793 914.3506283 657.5859827 696.2383035 613.8000601 873.3378195 16512.10293 23345.05332 10680.90163 26244.66899 30804.61426 32502.07521 33237.11055 19432.93713 22623.20048 28185.29974 14992.86525 19874.84539 14654.22301 9139.871539 1124.955837 19228.71784 743.5424359 26315.68498 4-NAPHTHALIMIDOBUTYRIC ACID 290.3512919 428.2299031 623.7637219 1251.410244 1600.295793 397.0784228 138.6788412 156.5513884 4.07813e-08 13996.21818 8411.034502 11958.13775 10560.11472 16885.13383 12507.00929 17882.3295 29349.51391 7191.243087 508.7058386 521.4907887 187.6469286 555.8019758 1076.938749 1028.085593 794.9053569 880.4786336 4.07813e-08 13240.86982 8124.605095 10447.51045 8097.665401 12883.79686 9581.246673 9738.008664 20265.62318 16506.18386 336.1023772 131.5188278 140.0747406 4.07813e-08 411.3673379 4.07813e-08 710.7831827 330.7577329 697.1124178 696.4955691 4.07813e-08 145.8795178 298.4803481 152.97746 9081.87883 514.2701233 2571.624432 580.027183 Naphthalene epoxide 357.783461 67.735597 270.1049728 89.85386396 185.6381544 178.0229253 112.0386824 282.0537036 211.714541 1065.564828 8978.953666 3156.642364 1047.296606 4945.999503 742.1919974 3141.810734 968.7128174 2097.428501 52.62614537 184.8865437 105.4744122 116.7407384 4.07813e-08 71.13753381 188.860334 53.46755559 53.4005269 444.836853 1212.453611 3178.103013 325.1867206 1812.915398 917.1628436 557.4173966 643.4437464 1284.822597 397.8477826 4.07813e-08 4.07813e-08 66.46389806 60.76453712 207.208854 251.9842075 52.90513474 54.86943025 187.2218914 56.07706387 160.9245643 111.4184278 295.5877219 897.8714923 184.03579 2275.045278 231.9356612 N-n-Hexanoylglycine methyl ester 13903.19744 9346.938628 12970.41848 10025.70232 12053.62977 9413.372933 13085.42186 11046.71524 8612.937386 6496.643743 8237.173531 7267.066612 6988.464362 8703.174692 7310.305735 11395.00522 8374.490818 6562.683514 6308.434145 8265.393541 6287.247828 9078.884322 6711.356663 9201.667341 9507.76725 11659.41856 7163.00951 7564.063339 6359.822788 8153.150267 7402.689196 7100.729144 7468.878553 6612.146348 30325.99281 8840.850765 9441.863835 8031.547777 7222.863799 5984.754694 9513.917348 6398.263818 7927.047671 9645.49097 7792.724232 12346.46789 7868.550304 8381.231969 7287.57926 6408.797099 6496.825539 7589.599396 10884.16194 7777.048404 T2 Triol 6566.540219 4593.950562 5985.598172 7232.08482 8352.071135 7272.85401 6700.830882 5585.062563 5208.367446 4759.912848 3727.173087 5292.014641 6144.228585 6131.981098 4688.591934 2496.121975 6407.702443 6433.860999 14106.42158 13249.5088 10092.45706 11236.00793 10155.40068 10190.7356 12532.69165 13636.35575 11537.22553 4422.45572 3824.282768 6585.224722 5064.59719 12767.70063 6061.21647 4529.932202 6327.455329 4697.034824 11273.10571 8412.658481 9424.623219 9729.962218 10174.23952 11984.58098 11065.20207 13462.58134 17720.23449 6921.408206 6771.176302 8689.304762 5852.276378 6492.264758 9086.500653 5030.441182 4258.947843 7860.201216 8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol 1461.893843 1878.497654 1108.912958 841.9998617 474.6623122 264.6918987 345.3281239 764.0192113 654.2747028 2387.975502 5259.862238 980.0572469 3360.416449 2236.267666 1010.709331 2578.993259 1250.157402 3421.441818 4.07813e-08 501.7344163 266.2232805 211.1930873 403.7769623 789.3084897 692.8026577 812.2484504 617.378128 1383.416409 1807.732226 5961.524972 382.6593629 1436.520804 1714.814727 4998.540329 1314.328333 1327.867205 1264.433108 390.1357631 407.6207891 145.1281652 660.4209549 676.5277794 316.2677385 607.9027861 830.1595997 283.2540061 770.6003379 1054.563496 493.7255556 1309.926322 2251.376872 420.3122144 2592.704938 440.8369923 (Z)-3-Methyl-3-decenoic acid 1027.142935 472.2979095 2164.038851 1168.988116 2647.510628 1754.243408 2137.797428 1609.333915 1270.522845 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12.68919765 4.07813e-08 9350.883313 6277.771271 6937.722158 5710.781311 9226.320113 8496.536078 8143.868509 10642.8973 10274.22462 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8.284811282 4957.124197 4593.216862 5200.438575 7107.570805 6640.384654 8454.893694 8767.147715 11852.56705 5122.754875 7847.999592 4488.992814 5351.145059 5936.182986 3998.871313 4.07813e-08 6167.744915 6.81010969 4851.526633 2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one 3266.425676 2234.714762 2768.168723 3234.010118 3289.383447 3492.522988 3864.321594 3125.226678 2835.986553 498.1381463 379.2801148 300.9832413 656.5037969 301.5645828 191.3222107 491.2734506 485.8809352 860.3962846 4681.565584 5177.73366 5359.846496 4274.70483 5333.976679 5184.914803 4642.619704 4049.475359 5380.565522 346.0381163 276.8170757 570.9623178 159.6328411 274.6966919 546.2514567 641.9859812 498.0038786 443.4779788 2919.416456 3990.499635 3426.704753 5007.370099 4285.883136 5211.721652 5582.743376 2787.97546 5074.637133 4958.699898 3539.75802 4419.753746 2467.369489 2942.9033 1001.945418 2833.466386 800.9934935 3620.480635 (7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside 4.07813e-08 1240.128167 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1046.078774 4.07813e-08 4.07813e-08 83507.80264 51638.28932 41854.81071 76711.24215 40673.98286 63224.85324 31572.13701 10268.10438 26004.81709 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113987.2149 87587.28925 34404.65016 79465.23505 51749.9813 66032.92308 107731.2475 42738.4767 45558.65257 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 525.8037013 4.07813e-08 89708.4036 4.07813e-08 55452.14461 606.1623585 4-(2-Furanylmethylene)-3,4-dihydro-2H-pyrrole 2016.495379 1856.473693 1918.286383 1691.302747 2010.303256 2582.934624 2494.687022 2389.996154 1569.969118 3808.670869 4946.386412 1552.504122 5132.004789 1683.880021 1034.575857 913.6394025 1819.05083 1643.413194 1920.693535 3938.597916 520.3637241 1506.020825 4135.917454 4550.405561 3291.598365 1491.556561 3926.192847 1651.365119 3094.389759 3463.340345 2660.523865 2946.720433 1587.593823 1934.424074 2043.49967 4333.337355 2129.769668 2442.582447 1104.499825 1673.665385 2179.536026 2708.29871 4518.274015 1547.191832 2182.750718 3405.699377 2795.226652 1885.540623 1376.95398 1387.192389 3152.237091 1441.558425 3320.979268 3956.597564 CCT018159 5512.894883 10466.85786 2928.274296 6509.359588 4041.198291 5384.817027 6202.573677 8717.582159 13083.90201 367.2891713 528.2064821 506.8530735 572.7589085 532.7749197 292.2743526 79.35024947 979.5069279 657.990598 1099.362149 1091.376266 3591.50541 775.84504 1079.96797 1215.005563 1405.684566 1288.549806 2735.111561 320.8308608 622.8249518 922.3290394 385.3798167 1187.133173 531.5251327 400.7644016 574.1666173 240.762803 2245.944659 3133.594013 2897.445633 3500.765408 1754.424894 1408.269635 2052.687537 1168.349771 641.4424551 1438.67941 3990.486774 3137.620048 5372.460502 9323.752827 946.8963236 2431.296347 341.193757 959.6913245 Tuftsin 0.205528953 207.3844718 4.07813e-08 212.8157203 4.07813e-08 194.2918173 2.196503181 172.8488217 1139.929934 60987.81781 64600.63751 69113.82458 63905.4784 43776.23448 71253.37442 117286.7973 27571.41826 41509.15978 314.3350421 235.3998542 127.4481337 8.82422e-06 79.07323035 4.07813e-08 415.5735368 0.925053428 4.07813e-08 56294.6278 80281.66206 43330.51794 90903.72688 31068.0446 58466.58511 89477.30375 38834.51894 81568.00942 4.07813e-08 1.077747515 242.5628098 100.006719 4.07813e-08 107.6026922 4.07813e-08 217.6436572 227.4221493 104.5405683 124.0388568 516.8574063 4.07813e-08 1683.098912 49582.57539 425.3823656 15091.6283 255.1651188 (+)-trans-Carveol glucoside 33944.65018 27261.79383 31738.62301 32377.5643 38917.56127 34215.67423 35216.95781 19431.44201 24265.72676 7541.506583 5737.369866 4297.733426 6064.509593 5071.714072 4744.791367 2214.2862 3441.813149 7109.250869 59710.50759 54258.34877 47424.42464 51586.40035 69897.2827 58214.8781 57707.72309 33867.92943 41601.28892 3674.225996 4811.173661 7001.171173 3933.780403 7229.341289 5016.795154 4144.81529 2683.096089 7099.868687 36265.44585 44240.04786 40641.54886 41248.65581 54958.96579 66992.1424 55086.85742 35901.3238 48273.92118 58380.63645 40643.14029 47097.05346 29677.42614 28104.20238 9016.976976 45464.61735 5713.087591 34776.22479 8-hydroxy-13Z-octadecene-9,11-diynoic acid 1234.671789 2555.58596 1277.805187 1417.309675 1309.653851 11137.02794 26036.23247 811.9063025 431.7037985 559.7631154 896.1870381 617.0461133 689.4373277 970.3831613 7787.737446 1461.688605 2083.024644 317.3276996 1379.742256 2946.948142 1127.858775 1897.526544 844.5078389 7222.616097 6741.973397 1704.318283 1251.464348 356.3655288 206.9694901 1091.301771 77.33714969 1029.859294 3821.205774 305.7810488 935.434845 524.8202561 912.2065826 2894.818289 849.2116649 1273.446403 1503.816041 1299.697826 6201.405426 2244.285594 2996.787034 158.6837127 690.1471869 939.6713593 921.2085184 362.2840242 4239.467988 1060.745194 230.4308317 586.3572537 4-Hydroxypropranolol 1298.819794 1332.020126 921.2001914 753.8988201 902.6352382 867.5500457 858.0766989 1833.752504 1785.885185 1043.91434 807.6681961 525.1384589 540.0273583 424.1521068 2117.493553 1980.336766 1106.346486 664.6965003 2.936780521 834.8051799 1031.515932 502.681051 271.8623483 282.8347847 561.1899679 280.6526295 403.9479658 528.9185347 1109.115645 288.0732159 1945.534142 227.9245628 904.8924873 2021.959243 1430.648602 795.0870318 248.8819412 247.0363412 828.6156204 1173.508345 725.1745821 334.1143201 465.6722998 580.3809056 388.0534823 1011.357036 4.07813e-08 1194.000769 941.9996387 1487.348387 261.3172479 366.4941185 192.5153724 674.3920086 GlcCer(d18:0/16:0) 2358423.586 2452544.079 2314734.482 2526192.716 2342420.822 2004805.248 1969698.789 1989506.59 2074710.071 1620299.35 1457463.454 1511111.486 1650791.37 1819839.897 1379871.819 1801846.566 1485687.527 1780000.147 1347733.819 1571756.403 1302662.737 1551066.95 1144523.483 1340666.612 1532825.693 1809568.133 1567849.642 1504665.07 1797059.008 1982643.26 1900571.104 1669767.926 1553961.523 1338443.626 1792792.797 1873013.615 1761092.787 1516716.284 1656419.807 1316555.517 1238736.458 1281491.837 1397122.094 1902188.165 1477600.243 1819403.782 1684835.635 1696701.462 1675723.212 1631503.018 1309320.878 1722104.905 1953882.35 2164337.719 2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate 460.4470864 485.43154 130.2801825 636.2929714 419.9016401 587.8255854 582.2679666 260.9757826 224.5495288 1484.89415 2117.364352 1374.555288 1199.168542 1311.539306 811.7581501 1985.01536 3449.153402 5299.795644 4.07813e-08 268.4850858 4.07813e-08 4.07813e-08 331.9032559 4.07813e-08 4.07813e-08 379.715042 463.5989433 71.39695881 1345.22296 1802.215965 679.3415378 1014.146235 606.5795466 712.7177486 498.6014486 813.9637557 265.0627498 85.41747395 4.07813e-08 4.07813e-08 298.1754422 111.8800769 4.07813e-08 252.9171822 4.07813e-08 708.8192646 111.2522301 4.07813e-08 4.07813e-08 111.9312607 638.6588356 4.07813e-08 4532.41391 374.6661786 (-)-Menthol 9310.495886 9022.766804 8371.970892 8957.581017 8947.654467 7635.23911 7698.700609 6926.824226 7697.208958 4775.855897 5020.253457 5219.804359 4875.913103 5632.488909 4797.668755 7162.222252 4925.40354 5940.599806 5334.643342 5986.511257 5041.388552 5531.416278 4997.213678 5256.674717 5137.504389 6242.580969 6108.438886 4918.329244 5883.150425 7046.714486 7729.304659 5610.855884 5660.432775 4814.259315 6621.374058 5970.859676 7748.221391 5725.059973 6033.468268 4971.508997 5284.674914 5504.071138 5228.208507 7130.145773 5646.595499 6567.950276 6711.064049 7695.836738 5583.007441 5684.028493 4259.184837 5256.35295 6405.848 9081.515694 4-iodo-SAHA 4.07813e-08 1070.570029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 594.3635191 4.07813e-08 29553.83951 19391.01187 12014.05879 31810.86428 7657.590228 10586.27676 5033.763239 40958.12909 31739.80961 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13819.80937 14640.96088 13898.76714 12193.04598 15678.65694 12716.80499 8221.618495 7192.75822 11131.8191 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19641.06369 4.07813e-08 8993.000933 4.07813e-08 PAF C-16 4.07813e-08 975.3873727 4.07813e-08 232.5771768 4.07813e-08 4.07813e-08 4.07813e-08 213.3778737 235.9874243 443.1334919 4.07813e-08 9089.487542 992.2394246 13345.07597 18712.48305 7961.644337 13875.2146 40419.30157 445.8373287 4.07813e-08 139.4776835 3165.101971 4.07813e-08 120.8027632 4.07813e-08 4.07813e-08 490.5981275 2760.667259 1281.89886 4.07813e-08 3977.192484 816.1998877 4.07813e-08 724.3658618 5931.072112 2660.832964 4.07813e-08 4.07813e-08 4.07813e-08 723.368222 639.7453022 4.07813e-08 4.07813e-08 4.07813e-08 241.6629257 301.0541849 4.07813e-08 4.07813e-08 3710.258121 1630.539194 4603.383734 4.07813e-08 467.2326106 4.07813e-08 Cassaidine 2953.888822 1787.517496 3532.119393 3856.340311 7184.221576 9089.490863 11461.6748 5018.026989 5894.93013 7099.894491 27879.11957 88890.40355 5212.499749 223692.8241 160337.6495 262781.3735 437909.5123 46634.16591 5290.581156 16663.12008 5832.207179 7884.726928 5404.888741 26417.17793 68223.46449 3500.159269 7708.901459 279302.937 44328.06097 13877.04264 38550.80632 38378.32848 21024.16851 65979.78096 337156.7157 23330.51529 3503.923399 5689.209664 4816.868184 7199.453782 10615.22427 2901.170485 28345.97304 3532.667564 5563.361017 121121.4729 20587.22638 5618.182486 7768.315351 3088.50799 30067.43455 7248.133874 8142.328008 1943.264399 alpha-Cortolone 13015.40307 1988.939516 11867.23299 8039.669509 4546.152613 14434.59494 978.4292129 5765.646639 12112.66628 191.279581 125.9596575 32.84065698 141.6034131 36.86640432 65.8928437 99.30916535 4.07813e-08 254.1866469 11496.20238 7033.019565 5342.137642 8841.337002 7533.938382 10260.64912 2696.59349 5356.195919 6268.217248 52.97049991 28.98901927 30.30440267 165.3753004 36.40901634 59.7352573 257.5461366 53.59256722 90.70715712 10016.01927 6277.855432 7132.919565 5815.832945 10396.38761 5142.532819 9542.125509 4719.260189 9357.078914 9905.423885 9802.37788 3884.870023 2887.315005 2300.959286 14.31530223 1587.903785 1349.632633 4494.566346 N-linoleoyl dopamine 1566.282345 6819.040587 1910.930834 3474.477907 4200.968529 18393.9237 54260.33589 18790.54835 1779.794878 239.2091319 4.07813e-08 923.7309031 343.3789227 1541.200449 2897.478162 102.2512515 9038.648978 2242.70702 2821.69856 21628.66737 10642.96515 21736.42479 8552.450461 39795.62078 170885.6649 1670.75989 18777.834 2173.186489 100.7941777 211.0548102 113.2938944 4.07813e-08 122.6610356 4.07813e-08 2516.976447 363.74191 2267.636775 13224.03263 8194.685124 15458.66224 35029.07668 4455.198675 40545.85555 1468.502728 10043.04549 253041.0951 47138.23799 2497.161999 22363.83833 6674.903463 87.71049244 943.7805756 122.1892636 9096.747019 Latanoprost Lactol 9684.038919 3154.19064 5015.083073 5967.070412 3405.35421 11201.31512 18827.50115 9220.003819 8614.265632 254.4322806 114.6538362 4.07813e-08 4.07813e-08 4.07813e-08 177.0163179 4.07813e-08 4.07813e-08 4.07813e-08 6738.262888 7206.122412 3635.415584 8326.203074 6546.280446 10690.85851 5457.623036 4989.436122 4559.455678 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80.08487897 10389.89169 7599.062475 5644.445053 5841.1307 9290.880785 4882.897551 9989.314186 7089.204907 5578.751528 4104.648029 4987.976708 7727.76777 3344.290624 6615.656799 591.3092274 5532.314123 86.71841798 8904.571792 2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine 7425.232684 4819.44777 7191.169659 1099.297106 995.0220879 6930.179507 939.0369508 8946.662664 7420.40708 879.9994221 209.2987333 9996.333484 627.3032466 8408.315725 5163.455143 2520.741381 45257.37724 2159.018055 1270.65189 2091.255857 7008.841539 3016.827731 146.7689181 4.07813e-08 166.1317062 4.07813e-08 4.07813e-08 11389.27113 16455.9474 902.7636358 5876.127393 3306.454318 1807.949869 5876.667549 8233.563417 1613.690061 9785.496436 696.5668779 6667.613955 1635.632447 4.07813e-08 905.0808763 4.07813e-08 4.07813e-08 4.07813e-08 8231.985574 12605.44095 8984.825467 8385.616951 3949.113587 6045.212533 9563.398245 576.4294653 2394.554686 PA(10:0/8:0) 4.07813e-08 4.07813e-08 273.0864981 497.3850562 7.898852284 4.07813e-08 0.781378691 0.286355781 6.253182528 4.07813e-08 0.015089474 7122.652408 27.84727059 27394.41236 50209.66599 1834.117902 184819.1396 3543.085171 41.20745533 76.16123977 323.7309621 33.4843991 769.4438359 4.07813e-08 1.153112403 200.1252283 241.7596644 17599.51255 3770.555403 183.1698649 39663.49167 20204.53729 2808.457415 10498.6375 72336.07745 0.505152859 4.07813e-08 171.4804332 1.093625347 0.665567549 337.2824151 1.381857265 0.829088322 42.96515969 4.364915688 4.194777488 4.820125178 1.135085096 161.913518 4.07813e-08 4574.861248 1.848114439 2.169663307 4.07813e-08 Sphinganine-phosphate 1878.275692 438.1319692 1830.538791 3448.233196 5368.333738 11760.06786 2881.305929 6646.142183 2367.783023 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 859.9461934 505.7617573 2290.126905 1468.4453 1553.015325 1653.277691 2606.117884 1324.60211 1279.589586 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.423838199 4.07813e-08 4.07813e-08 332.5446714 236.8650662 1218.900375 1021.078364 1156.044904 375.2100993 4.07813e-08 164.3904582 4.07813e-08 4.07813e-08 1800.950975 192.553674 4.07813e-08 547.3180841 4.07813e-08 252.8998593 Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) 33912.75932 21793.69575 50288.9567 24313.28008 26118.77476 35797.14953 24852.79713 24419.1415 20014.10692 18424.22981 8532.305314 4.07813e-08 16848.52308 4.07813e-08 4.07813e-08 1101.523441 4.07813e-08 4.07813e-08 33996.08821 42257.79845 42706.01984 37111.59467 41327.50594 39401.36169 30353.74129 32012.05047 24031.83025 3063.600907 7357.455293 9471.928784 6848.407566 5623.423177 12088.32438 1154.111504 33.37625203 2322.010074 40211.07019 50194.61281 48781.44168 48188.25519 39651.66672 30027.71473 37291.48188 43991.01365 56344.13524 36025.28651 10710.2894 23783.94231 11906.44372 21043.72851 1684.900608 28263.32417 14726.14008 16951.9252 3-(3'-Methylthio)propylmalic acid 79740.28238 78591.98148 101616.8991 91813.27203 97020.30399 68457.50184 63119.15164 64938.95674 67763.61587 60381.08209 45887.67657 45908.4855 60060.79872 63609.511 41462.61294 67004.37372 45041.75679 69669.67483 51574.6644 53576.28465 51202.82679 65076.34714 59436.8186 57089.61032 69096.52691 64664.58605 72137.89194 57379.25502 50503.1996 76910.50537 68029.98004 59281.33386 61002.83875 43862.78819 53099.97196 75313.42862 58862.73101 50201.73466 53180.86053 59433.10148 58931.88121 54228.37783 53225.91426 86867.66047 66030.98597 59955.0007 57029.16122 58421.7021 56008.52468 69416.54708 58484.14208 60682.21012 60426.71507 90911.81566 D-Serine 44397.7314 43019.44899 51284.50845 46306.20307 47769.4855 38263.02031 35932.70678 37046.04666 37907.4095 32332.66493 25500.7784 25668.93985 30659.53291 33606.75244 23007.82442 35523.11422 26120.34124 37142.5255 28361.78616 30081.72346 27808.92659 33905.52473 29643.84665 29710.53924 35375.38922 36221.38001 35997.48631 29193.5371 27899.33164 39678.84035 35996.56677 29098.80412 32126.03551 25615.79048 29629.3866 38282.01245 32095.09537 28167.28596 29597.31697 30080.94543 29778.87465 30742.26967 29987.72947 41874.47965 36054.43099 33391.97776 31460.72362 30529.37249 31526.08 37228.9968 30137.14818 32289.41217 33666.78997 45844.39189 Phosphocreatine 2918.925494 4778.785562 284.1380042 849.7041681 4.07813e-08 1644.817293 3431.977652 2936.144579 3933.939946 24922.22018 16632.77115 10105.83466 24862.15681 9007.643804 10567.59058 5961.409225 8425.324657 12008.45894 845.4867167 1793.643279 597.7818209 704.1281689 405.1530517 1291.840066 1667.87623 1903.732394 1462.35343 45160.02474 23255.87915 8982.901995 20565.44974 25335.7186 16837.7065 25925.82134 9470.28909 8718.019895 3815.480346 585.314734 731.7065426 994.6467916 4.07813e-08 656.142287 1523.353672 3179.623544 12467.40307 175.6697088 1456.622205 939.8177456 3379.090572 10391.53277 21394.52306 1323.493714 30757.43298 3159.853508 Methylphosphate 5239.623284 5327.129629 3972.75166 11392.22176 22640.30594 4588.069632 4059.833878 4793.682919 2709.481413 4.07813e-08 4.07813e-08 259.9255421 4.07813e-08 4.07813e-08 960.01843 1385.319728 4.07813e-08 4.07813e-08 5380.027484 4535.214093 5980.738625 4050.331838 12842.16733 5573.364006 5120.223476 2370.386489 10946.74929 4.07813e-08 4.07813e-08 298.3347806 973.5650708 4.07813e-08 675.3363971 132.1827533 2635.753253 2149.108953 6000.911934 4786.240888 5032.553032 7626.375852 4406.313112 8718.913572 5283.32531 3098.458218 3552.048444 5455.529069 2097.295389 3849.927556 8629.711203 11672.44583 4.07813e-08 4212.871293 1655.630432 8872.418095 Isopyridoxal 101273.3497 103610.4758 119643.6341 133957.0314 134869.4157 105969.4525 121640.3233 103169.1776 86911.93429 32123.32686 31848.25043 45450.88132 31468.2097 41899.54021 26121.297 32857.85281 15287.78193 25808.70732 89390.34696 90522.03729 87731.12202 79158.54335 89881.70151 90446.1615 88741.72337 97923.6198 98989.4499 25109.09457 30237.85362 42697.66331 29253.71603 39601.94121 48680.73138 34330.1819 25998.57099 36476.93128 74914.24377 92055.73789 93230.13692 96569.0847 88535.61562 90586.15862 91024.62855 103616.7797 90511.33722 88202.24612 76252.03005 90535.94868 102565.9014 85302.28228 35065.73177 98177.45999 32367.54502 101334.0807 cis-4-octenedioic acid 93772.13752 112149.4137 108175.8136 126972.076 109431.0013 94195.52034 138914.0404 122040.7799 96488.79616 48878.79342 48902.51732 81502.74555 54629.12107 80853.45351 56299.02624 59160.50009 37949.98097 57391.18404 83700.12819 95177.96424 79011.86417 71457.31142 108036.2054 107736.1974 98487.23423 95169.51129 100095.1216 101786.4226 63500.98531 72951.00641 50938.95045 72789.60799 87176.80887 54702.61405 73922.23413 79606.66638 107211.8297 76992.18201 68614.16299 92049.63329 86489.51154 95705.26808 97428.13392 90933.69175 89182.69791 93670.32918 80103.23517 66408.70811 89685.91416 116889.7037 56257.60378 93793.56207 66865.82171 104846.1386 N-Desmethylaminopyrine 28540.73461 22858.53362 40623.99772 37505.90437 40862.11568 26042.01011 25865.8423 40720.1281 41952.13911 115259.0598 105353.4249 123960.9531 125137.7879 124568.7411 87674.57836 100493.8866 77523.83603 95716.27463 71376.23322 37161.64008 117563.5036 95167.302 179335.1051 77956.46654 159399.2033 24704.74387 33141.05914 74463.42408 96314.76327 67308.15119 38293.93432 118157.7552 123995.8964 114765.6205 96914.29191 68641.86369 44081.42261 55058.5266 37771.45191 321700.4446 25165.75112 80520.6006 69441.5124 29953.47027 16171.14802 40380.7409 20465.57339 43834.38854 33520.94339 77515.17313 63582.97307 61998.73436 84562.01119 50222.09241 Ecgonine methyl ester 21860.86502 30402.34964 16720.40708 23304.37212 16811.98032 16793.26937 19174.6694 29138.43548 31650.11212 6180.83627 8646.914909 6348.254688 8776.685932 6227.093161 6357.906037 4408.364354 16868.07164 6822.314113 17114.3791 21803.43302 26360.82556 17016.61043 16155.64374 16763.46358 18008.9758 46664.77745 53594.50531 9032.135037 5597.680432 8967.625217 10473.13208 12241.82149 6793.671611 14406.79458 8139.738396 13700.91698 14509.29601 21382.83722 18656.13384 23457.85497 14653.43674 16822.39901 19391.12395 47121.13874 19211.58434 11134.92248 15883.0581 13368.6424 23083.21894 32364.29349 8789.977391 14708.36275 16350.12632 15063.00479 4-Guanidinobutanal 4018.089273 5512.649826 4881.005656 5495.495418 6047.930998 4605.425959 4827.793735 6022.751916 2631.161961 35110.68796 33580.33825 31919.95864 38392.41604 27518.57058 31858.03502 20878.99843 20829.37531 28070.08886 4408.986932 4224.622978 6538.452438 3096.92099 6400.534949 3691.469008 7050.87784 3765.266801 2232.203248 28977.96401 33736.28705 22983.31857 28991.57657 33804.93957 50739.95784 45373.7665 24222.05324 26567.21733 5766.107121 4361.552598 3998.536587 6778.126878 4361.215046 3449.571071 4714.922303 3197.63178 4919.156869 3033.880385 5994.2697 3325.792467 4412.847582 3919.079939 39146.12974 4254.505271 40355.37785 5402.041004 Gamma-glutamyl-Proline 120909.7826 181210.5619 87618.18366 115967.9694 97914.73862 79668.97075 135273.2255 116847.9222 130069.8562 43967.38402 39373.92025 47242.26562 46836.22393 27681.50583 35670.81411 30045.62754 24350.34587 55313.1589 79842.2404 79588.54904 80604.53986 64672.55887 90991.93722 73510.28582 87853.8444 84163.72599 81582.29275 40665.69909 36209.60879 24603.34731 33261.71404 30828.51714 31345.81563 55699.54989 37000.84674 28230.37182 78956.62485 82566.34679 75280.80897 91539.49366 73658.0615 81241.88243 75810.42899 81709.91903 102306.1098 73774.06262 86894.06107 75368.90647 94575.32188 120923.6541 40650.38629 70317.74127 44651.9673 76050.90654 2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one 52335.24442 39703.1314 40199.84585 46282.70705 68004.48446 55311.15785 42353.05214 46455.56347 28198.36447 16839.14552 10750.71428 14765.89473 17938.77622 13659.26699 12255.0026 9341.644957 6286.075814 12025.63739 54310.28087 60313.70976 51116.60819 45357.78779 53564.26083 49188.92976 49730.7201 49865.12812 50247.46352 5903.010318 11335.36738 8764.435811 9044.009749 13488.64302 17291.32012 12394.18696 6833.48513 9606.157233 42958.56389 51713.74116 43774.5028 50613.39993 47989.80646 57031.423 44280.78708 42768.74825 74661.49674 34061.93811 32200.82039 35041.11762 35889.22643 23813.68989 18753.62038 36776.91691 5567.274021 45466.11879 N-Cyclopropylammelide 58408.29721 62453.31482 34487.17277 42651.27122 29731.18172 36134.18682 55296.02315 97019.78117 129253.4502 17597.07806 22827.40862 32281.59773 19469.68515 13997.94819 20984.56124 19648.94568 22442.35826 42489.93387 16460.10504 15571.67557 17112.88078 6916.906523 12826.62673 20877.88876 16277.04007 10699.0554 18166.76394 55376.32704 24060.08749 24253.03623 45436.7118 22027.78853 28862.905 21564.98301 25569.64277 20346.87604 20306.20093 20264.29393 23269.57171 23509.0232 17104.52023 12689.92952 25537.76406 15993.45641 9430.786747 34193.33637 40027.84828 41338.61479 39638.07754 50320.14938 14911.73748 50337.15283 50279.85759 31972.63103 Methyl(2-furoylamino)acetic acid 4582.821709 5069.741045 5931.850447 4032.777878 6165.909746 3849.424834 4201.623807 5639.288156 5608.691765 11507.38575 10909.69938 6538.822332 11117.64912 6666.617421 7035.100346 7411.914143 8381.882509 10164.60067 7471.847448 10114.52164 6003.800995 8580.079547 6072.485634 6472.375836 8085.803306 26101.29781 21854.08022 8827.818756 9788.379812 13887.58981 13977.41393 16643.84714 10239.06697 5697.477398 8114.646009 12056.81419 6035.765227 5926.962692 5723.214592 4537.142119 8806.78324 5575.776867 6014.100793 32701.35602 13902.4063 9414.275819 4924.43271 6430.950296 5745.637295 5097.126847 13092.03992 5575.429476 19705.40909 5368.670526 Clavamycin D 32977.56533 38253.61304 27393.30506 51851.14062 39552.20448 25764.87795 44661.67382 40073.62944 44920.15146 15768.13945 13662.54679 16264.51419 14868.30303 11074.64231 10084.18996 6949.065251 7537.110527 10629.59665 38108.82129 58589.94639 39046.07133 42858.90767 51543.34312 48160.0968 57120.07014 38834.64677 48467.67263 12824.01474 14974.66456 12317.22376 13241.29012 16837.96588 16353.09423 19804.82306 10223.96522 9167.559818 30557.64247 40914.25405 36401.11894 44027.47293 34941.45075 59185.28044 45531.85901 39437.86729 48705.17083 39080.30073 36503.65276 34880.94174 33886.06312 46858.29179 20030.85262 40889.00434 14747.35919 33864.96134 3-Hydroxymonoethylglycinexylidide 6240.829124 6664.752817 5426.218224 7091.914685 6209.215441 4344.902388 8150.680764 5534.481248 5042.556833 3141.260228 2975.835964 3165.173959 3879.956095 3093.905681 2123.773625 261.4506327 1466.645808 2146.972668 6650.026015 6713.212297 4890.786361 4391.354624 6485.428974 5922.67994 4861.26775 5986.482096 5752.664899 1736.870009 1982.297412 3078.242743 1492.371429 4035.722864 1912.06203 2042.415341 1532.319658 1311.61904 4570.425806 6051.795768 5058.485687 6794.943735 3918.153924 4777.514478 6003.280864 6599.114838 7142.741221 6747.430317 5435.805522 6636.623141 4504.97331 4704.995681 2399.755347 4789.359868 2881.497352 4630.217234 3-Hydroxy-2-methylpyridine-5-carboxylate 1756.110008 5781.653567 3017.112778 4862.436106 3478.310197 2919.794971 4025.386318 2506.773078 1072.963019 10688.17295 20616.85146 10866.49019 10379.07849 20946.47726 15677.37133 25519.90264 13677.23121 12409.91006 8917.13822 2304.700392 3505.99322 3155.352646 4194.83241 2075.515993 3447.494999 4788.763864 2627.148686 9407.041394 21504.79655 35726.9903 25154.93714 26140.17093 28656.12429 40646.51919 16916.23245 24209.1666 17675.32707 2283.889866 2322.663379 2129.175193 2122.023736 8044.201176 2127.794083 4564.320998 6894.653565 2915.68542 5736.386211 1773.767393 3954.886362 3595.178252 19876.87396 2062.711591 17794.90443 3702.930852 3,4-Dihydroxyphenylglycol 22856.26717 19289.26349 20872.28982 22244.49986 23722.27158 20347.31237 19757.87688 16627.5718 18459.72863 7963.705524 7288.644792 8066.721147 8043.144428 7611.928727 5245.299729 5416.863964 3786.933245 6257.937157 24777.08107 20058.53823 19729.34844 18579.09904 20045.93322 22997.00563 20838.12618 25543.56529 21557.09995 5918.672618 6548.323176 8915.340551 6011.865337 7076.895458 8810.182888 6891.158294 5719.85389 8357.302109 19459.68439 19097.02703 18725.67046 19991.81613 18155.70326 20603.60627 22562.91237 24859.2184 30027.44476 20223.72259 15952.96011 15376.24501 16463.76912 14888.84313 6531.79711 17379.83791 6355.387891 19492.93276 Argyrolobine 25145.24404 32206.22705 27768.55283 24138.33251 21972.99613 21930.12438 16014.10055 19763.38901 20569.9316 21858.07309 23623.59435 22084.00153 24143.98904 18450.19455 26260.31279 12989.27619 10856.46927 14684.91838 68079.2608 18485.06739 41001.32759 27683.47873 14382.99349 1497.15835 15345.1683 25757.36867 13054.53432 21350.63549 22698.92007 23610.72373 20505.96612 27848.11706 28278.61424 29446.87564 14113.59028 19472.75462 27224.07533 28261.28654 40894.52879 32970.1972 22509.65941 24335.33386 1797.817376 23554.02947 33345.4406 12190.10285 19939.26463 34419.05969 36551.67975 38713.32755 28689.73939 35530.96706 29438.75267 12102.62463 Cholic Acid Methyl Ester 421.1601537 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 657.5992586 4.07813e-08 249.6895537 398.22007 1456.314126 2832.98139 2696.87667 1673.134133 4339.102224 25460.60331 1076.540898 12720.20114 138.4319991 187.3773391 132.2005453 180.449002 4.07813e-08 4.07813e-08 379.9083841 201.0856142 194.0001443 4.07813e-08 1456.550486 271.7864929 2517.034967 4277.926062 525.8218023 8282.712748 562.8081132 4360.198654 1694.915464 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 255.4238408 4.07813e-08 181.2743062 216.8991232 158.1626173 4.07813e-08 138.7788214 192.3975975 4.07813e-08 4.07813e-08 1223.756292 198.5292345 2441.137414 4.07813e-08 Trospium 286.6258896 30.47605848 3050.099517 636.0515174 1123.846427 9358.156376 1783.69322 1113.874424 3243.73835 151.4424415 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 167.8907756 4.07813e-08 4.07813e-08 4.07813e-08 8795.268878 18936.80606 14729.29251 18664.76421 33016.20476 47407.57622 16536.68315 3045.519806 2530.927828 4.07813e-08 4.07813e-08 4.07813e-08 108.9169559 4.07813e-08 4.07813e-08 4.07813e-08 139.4968558 4.07813e-08 597.830181 9508.82468 6760.99103 16222.33956 17064.0813 22379.9382 35968.59078 1506.628993 3415.004583 35000.78773 11631.57375 15946.83975 2633.794604 1473.46866 988.8427645 6999.925394 4.07813e-08 4352.914266 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 147330.2017 205337.6625 110166.3692 114993.2145 197488.0876 46757.98218 305571.5039 395115.2839 82065.86615 4.07813e-08 4.07813e-08 4.07813e-08 64.75317272 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23271.37866 44018.11184 163734.1538 36395.81196 125388.5903 48749.74253 47681.2627 29852.66417 139861.7945 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88443.51516 4.07813e-08 65207.93358 4.07813e-08 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31970.71401 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6033.77102 18621.32607 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32843.89078 4.07813e-08 32257.21754 4.07813e-08 39957.37875 26916.23189 929.0246623 21106.60831 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 423.3463242 4.07813e-08 16468.95105 4.07813e-08 5-Acetamidovalerate 15874.62794 11434.48268 14967.6667 14778.94816 20100.109 8954.748355 10490.21025 14784.05418 15071.58657 3931.153807 3885.099447 3912.052437 3612.368095 3097.098637 3298.13703 4918.04789 3891.154112 4810.505661 14527.62504 10679.35782 15413.13772 15292.38497 6683.917189 5709.888984 20347.8379 59175.25966 21625.16991 4898.266916 3974.978577 5734.991241 4756.509058 5856.517127 5006.692727 4697.032972 6090.974344 4852.498092 21813.95423 11053.27694 14774.07329 9186.712882 14010.84309 18546.96704 7218.507962 53828.68614 29862.73406 10563.71728 9732.038832 9139.237928 14997.55156 16757.0086 5650.857671 15181.78435 5087.451572 10250.92476 BENDIOCARB 5609.70908 6285.796185 6605.594405 7427.416929 6483.160171 6211.359036 5520.128987 5865.455487 5353.886997 1460.209032 1295.890542 712.5136608 1772.164286 959.5775078 883.8760046 230.8730824 731.139275 385.9861621 9851.576412 7668.805655 9053.35948 7335.429775 7038.717821 6995.441732 7759.570971 9693.879659 8639.166302 1193.62412 1178.001476 1374.744285 1078.67424 1970.164891 1209.530744 1755.673868 705.2483739 1189.263639 6246.956755 7396.308873 7601.272792 9425.352855 6811.946131 9339.957029 5165.12664 9824.148858 11136.96123 7185.693325 5824.148978 6904.410906 6969.673477 8996.640175 1328.165456 7052.538519 1439.010619 6089.142758 Tyr-OEt 1661.901672 1108.197813 1480.919289 1584.692575 1600.70725 1501.514067 1428.350056 1049.020683 1079.561847 286.1780767 459.3660398 543.6447124 238.0865713 229.9974285 291.2927841 343.6676726 122.0153339 296.2019569 2166.483054 2002.303148 1650.895393 1826.018641 2197.972091 1868.933432 2487.425016 1805.787322 1926.857005 563.4665585 289.1986385 267.7827207 443.0573012 268.5228465 399.2183393 463.8320478 316.7066959 392.288426 1338.715778 1744.995411 1603.762649 1885.201645 1667.107547 2120.08582 1642.434717 2112.214458 2192.333317 1720.583384 1298.219814 1362.294112 1546.117968 1216.518425 299.6132068 1638.8769 571.978023 2171.763098 Lenacil 2539.959176 644.7194248 4.07813e-08 917.5032747 717.5523007 616.4432438 573.5144845 119.0534851 475.305888 1077.292397 779.8600085 364.0283062 966.1589966 232.811963 599.631664 103.7784434 121.2632512 354.4358454 3498.096997 3071.833248 1761.060977 2290.893732 1178.540762 1654.275724 1120.160636 1594.42205 909.7485874 270.6079878 421.6703738 439.7923146 537.4097454 919.5950272 767.3828788 1048.286104 315.1310935 119.7957649 1771.761266 2322.195927 1125.430707 1194.808039 2449.389996 1718.364807 1645.014883 1289.208724 2617.147183 4.07813e-08 125.0285818 207.0532978 592.2190172 813.7917476 1132.932505 723.4927315 112.669349 265.8825477 Methyl 2-undecynoate 3742.18174 3111.322863 3399.425314 3118.298409 2877.483842 2455.959618 2714.868203 2958.699395 2716.085727 1850.417684 1789.697607 1900.589028 1806.252666 1806.427473 1538.306423 2640.961577 1724.078191 2452.22202 2492.773334 2428.161411 1978.712969 2357.037842 1981.861936 2104.407069 2460.964203 3207.928102 2490.682007 1773.915499 2054.175805 2092.740579 1922.206946 1603.985849 2015.623994 2045.997826 2178.677517 2440.08732 2443.858816 2122.006319 2242.606332 1948.512352 2426.299589 2343.832075 2643.027284 3103.053842 2969.142756 2508.412491 2286.267725 2204.080054 3025.361148 2287.507766 1783.327168 2774.809713 2390.652417 2857.479114 Laurencione diacetate 14480.57521 15526.85034 21850.89999 16000.82488 12711.47861 44092.28353 22481.79883 67616.97057 86446.40775 170.1541585 260.1180675 155.0750979 229.6052022 81.16479347 98.16869948 170.4625104 66.76005422 89.55854893 7207.694071 7493.015724 8715.304237 3120.354593 12536.65519 26255.46933 7615.259996 3656.855069 22227.87425 63.82169772 40.31075124 191.3360705 39.64128896 246.3729485 41.60448406 97.61795699 194.5358007 190.6118219 1962.034699 19995.06174 31523.2148 22209.53626 8342.545334 7115.993875 42767.89479 9489.750429 1319.499472 32256.1218 15874.01002 46983.02912 25641.16002 30771.99555 149.8322277 47674.15565 151.0772676 40017.07537 2-Succinylbenzoate 396.3289346 597.3320362 830.2227165 465.2556005 609.7916125 916.9163788 1285.872423 2285.663442 1562.958266 4.07813e-08 4.07813e-08 4.07813e-08 121.5271009 4.07813e-08 35.68123521 4.07813e-08 4.07813e-08 43.65303999 1785.303189 1613.376038 1744.201344 1445.853356 2109.322946 1909.78407 1712.59354 1473.363183 1929.432908 87.48381104 194.9692526 98.44111307 4.07813e-08 80.99732978 37.42275971 101.8034104 4.07813e-08 4.07813e-08 1413.071937 1776.322796 1712.611932 1848.679356 1992.859721 2230.701098 2550.812092 1824.677856 2225.134464 1445.946357 885.7611493 1980.978933 1427.591539 912.0070752 238.3081135 1973.969288 61.10809135 1590.233313 N-Acetyldemethylphosphinothricin tripeptide 4.07813e-08 2449.458342 122.092837 4.07813e-08 120.364482 4.07813e-08 271.7635598 856.0508016 545.0772565 44169.64035 40209.72692 28436.99772 49316.97069 31104.80328 23631.51766 21504.25101 28484.1508 43885.65716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33809.69118 36992.22578 43245.01814 24734.23342 53461.86891 30769.09845 31426.22222 16060.66933 32978.56717 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 103.1732187 4.07813e-08 4.07813e-08 484.4413235 2313.103884 46880.7973 93.79148505 35345.96133 492.4184404 cis-6-Nitro-p-mentha-1(7),2-diene 10422.27309 5893.605472 13928.80927 5683.664641 11610.5993 11796.27622 8710.576172 16476.59902 9907.249334 207.297755 62.74827085 28.15370641 92.31629002 92.1439883 23.47316967 4.07813e-08 52.6038073 74.31927633 41004.10124 22326.16061 22955.89546 23765.41518 32522.33548 33786.26453 30198.45718 46005.28283 34985.82576 65.16221396 114.5888751 40.58411691 4.07813e-08 32.92320917 4.07813e-08 291.7440859 32.46488884 4.07813e-08 18571.54476 15478.06623 19311.68692 27393.01315 27410.6193 30007.31284 32740.8404 44874.40057 24062.92407 24520.34098 19262.78768 18892.15142 17781.04355 12438.49839 25.5632322 19338.62231 598.5676577 17638.87388 PC(0:0/4:0)[U] 4.07813e-08 113.7286795 4.07813e-08 121.3207322 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1509.739905 42712.92421 500.8068831 1048.566268 403.150129 149.0665115 3416.945814 933.0308589 830.2676191 112.3130231 312.1701037 164.9055907 4.07813e-08 155.0814003 191.2905203 4.07813e-08 115.7521546 4.07813e-08 855.6672213 816.4542846 624.0262395 256.276977 532.374274 910.0725932 1271.949628 297.0559128 80.59940475 299.391705 4.07813e-08 208.2758328 169.9433023 178.1685584 124.5286481 16.35747033 218.9933073 320.5726544 4.07813e-08 115.1394473 4.07813e-08 88.78549535 4.07813e-08 1419.138425 4.07813e-08 350.3211945 124.1124759 Pinacidil 5615.252355 2114.446794 4955.445005 4725.57609 5819.210897 4727.483665 4960.328499 4215.888038 2860.315999 0.092451561 0.520108935 0.413848893 11.5349583 13.57335939 170.0537813 52.66705408 4.07813e-08 58.16887812 16267.18463 16246.84648 10623.15315 15525.18336 17906.22231 14972.27321 14630.73168 19288.9143 17854.77703 4.07813e-08 4.07813e-08 72.48070306 0.355907993 0.014265133 0.327392247 4.07813e-08 4.07813e-08 0.222153351 10791.29087 12826.12507 8637.895418 14429.65623 16141.7231 15956.39885 14028.19104 18658.01661 22395.28574 11838.53476 9070.429115 11108.34785 7378.741634 6162.117361 72.95852252 10094.8713 4.07813e-08 12084.17202 Psoralen 1645.366827 1833.506055 2030.721518 1319.773245 1843.87581 2521.900753 1131.494521 1359.784011 2051.896366 4.07813e-08 41.79596509 44.95756197 4.07813e-08 4.07813e-08 4.07813e-08 38.53511729 40.57165249 4.07813e-08 3919.618291 6227.118266 4065.223849 3697.244722 4040.346706 5422.211101 3236.233917 3381.264517 3532.578329 4.07813e-08 85.79695212 40.37626058 58.05579332 137.0573699 76.95153707 4.07813e-08 37.87525931 4.07813e-08 3221.989065 4090.216574 2884.737404 2614.857269 3295.253466 3819.993687 4942.265877 3115.873991 2377.229499 7779.157722 4776.263874 4187.009075 2740.393874 4572.297795 195.474917 3696.830785 60.81822255 2785.10085 Neopterin 2417.35947 1733.625976 1914.520401 811.8946487 1459.155964 1814.093699 1679.382577 985.7016844 467.819835 249.0046056 272.9098016 110.2465243 318.2468395 139.3461636 503.2224154 4.07813e-08 114.3047077 151.0754195 3000.962518 1765.805097 2866.95855 1863.010153 2083.449931 2434.323476 2417.605513 2964.839198 3419.987022 965.3542385 128.6468494 347.3444777 368.0275007 294.5667165 417.1867337 1084.203975 85.7598271 411.0046923 1872.77671 2482.020528 2489.977007 1828.876012 2348.534234 2641.728267 1818.798499 3749.336561 3047.962739 2152.552429 1561.903539 2010.279571 2352.862362 2192.188278 481.4384933 2052.530254 200.3462684 1197.961505 11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one 5095.063939 9560.770571 3301.483286 7305.453448 7513.697542 9030.428665 6523.523823 7732.676914 9800.973708 44202.04603 53875.85627 27528.221 47748.53427 21637.41678 34906.49874 60517.88093 46801.64742 27465.86802 2994.675996 1912.508479 4148.264332 2588.885272 3805.578743 4466.291897 3571.959693 2407.742588 3422.389892 23042.90532 48345.51525 28718.91294 45437.63486 24866.32928 44182.22759 99846.90651 62352.2044 76794.06782 3614.846042 3879.435628 3147.462581 6114.360399 4201.132845 3694.458914 4338.969535 1510.239903 2773.755638 2774.819297 11973.26199 7266.289932 8580.252066 11831.42573 39791.41345 6181.682649 16439.04117 6194.862424 2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propylamino)ethyl]- 10849.50748 9126.391987 7672.583874 5146.35359 6441.089183 8351.154753 10101.03653 17796.34708 15810.64811 11259.13289 13815.0038 13219.20918 11794.23741 17552.66192 14953.51875 10403.53286 30628.39737 22648.96657 10384.82431 8901.071551 10659.196 8924.839893 8697.291452 8044.429134 9003.285213 13907.24755 10546.10789 14565.0244 15927.31826 13803.95495 10637.22371 20598.87955 10418.32112 9466.132629 13519.2128 21300.74128 7761.671282 8430.046237 9223.043005 8825.375282 8962.938364 9232.645348 10070.10154 14376.95003 12709.69909 8796.240756 6763.925583 7714.054348 6470.921906 7988.473958 12435.27562 7354.341049 5515.216233 7834.144891 dihydrophaseic acid 4-O-beta-D-glucoside 2991.845531 5499.114362 1967.844993 1934.590352 1515.625797 2389.91201 4860.516317 6107.319598 10775.0608 29896.54403 23547.74915 21244.33623 26051.64389 19311.22435 27084.33207 13670.44416 9088.125544 22030.16878 464.1877116 1.476713808 187.6280707 118.5833226 360.2641843 28.66175843 4.07813e-08 1370.935613 1185.817333 23520.35555 26174.21664 18961.1832 17423.47859 25390.82067 27166.9492 14232.26811 18042.83246 18503.81911 1026.236913 1141.651012 1497.832378 1528.454389 4.07813e-08 334.4024078 4.07813e-08 1557.584844 345.1292052 701.396524 3197.575105 2690.87048 4884.969297 5105.958133 9683.294908 3186.378191 17667.51279 1406.201346 MAM-2201 4046.534638 7130.798615 2999.874932 5559.938273 3492.343502 3627.660344 3400.189609 4870.620821 4734.686238 7836.66684 5691.666063 4022.508155 9187.86239 2892.141559 3714.298125 2682.907094 3502.339628 6348.462503 8267.320398 7103.880212 9134.809159 7362.033192 7224.748891 8477.159954 8264.383946 8604.74917 7952.270501 4922.337444 6376.529498 4533.411407 2938.361052 6634.238593 5653.137529 6565.130065 3263.425844 3031.596092 8070.98709 5202.711412 6178.292268 8641.109753 6611.987421 8713.648658 4954.527766 8208.352377 10630.08074 4201.138611 4049.39672 4638.045245 4856.614765 6616.397313 5091.074245 7986.349448 5576.217717 3880.811866 PYROGALLIN 327.6864841 1011.280098 668.012664 553.9362452 1078.016191 594.9475772 875.735182 426.0488542 1026.301902 4825.973047 4020.937643 6211.434595 4665.573783 7307.54171 4732.973841 4634.546445 11154.01863 3722.469614 444.9933763 871.0426989 525.8900403 878.2592622 763.2050954 619.8412295 425.976479 2353.129075 1256.861323 4906.315428 5085.567074 7257.053768 4115.493034 6798.174283 6499.085149 4883.72894 7275.377587 6081.258925 1054.243649 287.4681216 490.1585493 508.2064498 355.5204569 415.6545052 654.2426969 2877.557213 844.8683093 977.4251138 936.2425228 414.5536306 733.3226807 906.1531362 7403.525855 739.6882871 4837.388245 1264.313132 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 3623.850752 10829.51002 2671.04869 4097.014824 2942.746462 1158.234182 4016.324239 4699.535255 2467.157699 36359.46028 17646.7505 17152.62802 36250.83684 21834.45677 53128.5267 15902.79883 41125.21268 24693.96298 6437.841505 6411.594589 3805.313303 3514.502195 5970.706005 5410.879856 4296.512441 2902.925264 2913.055651 45671.68064 37414.34014 23306.34922 39960.48805 29729.5184 41643.95098 42333.89711 39999.87915 29971.35591 7653.483395 3353.032631 4062.979744 5661.727326 4879.766487 5695.916519 5054.449623 4515.198043 5942.352739 5149.565919 1916.60115 6473.511959 6986.186084 13668.00815 36619.93469 4968.970768 31702.3572 5675.573159 N-Acetyl-leucyl-leucine 54079.81033 40380.3941 60738.0714 61638.91533 91372.81455 67821.36262 88374.12722 60895.09699 51613.40982 3225.869086 3084.826251 5368.109211 2900.675596 4094.214956 2978.85949 2202.042881 2812.10991 4554.977714 104455.0336 160943.6286 45309.29244 106270.8228 186427.4928 197847.0448 163654.3252 157924.108 196602.5636 3762.973939 4051.204425 5591.824754 3174.09777 4749.624821 4477.889619 3699.282711 2715.861091 5192.013532 78463.80435 90387.49886 34344.05638 91123.611 135035.8639 152669.1159 184043.8362 156654.1639 175641.5043 150137.6872 100484.5252 74768.30194 48931.44563 38064.50349 4212.482845 56576.51524 3435.821447 137695.771 Crotamiton 12388.13932 5342.705194 3517.777994 5524.962391 4135.833457 1632.538551 2152.712981 12854.84505 4941.117365 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 275.5484508 312.8410402 216.1490426 186.0070324 4351.800059 3606.387321 983.3363156 4.07813e-08 6156.881923 176.8540367 177.3341247 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5230.088984 1107.50601 5248.861512 1433.004945 1236.068997 2666.697109 493.1439224 462.936226 767.4118536 272.7200523 77.90851431 1703.553632 5349.586055 4306.186884 4.07813e-08 1800.462296 4.07813e-08 720.5144367 Novobiocic acid 395.3995682 4.07813e-08 1102.473855 1000.696772 1951.438847 1117.27706 1334.096031 3078.37086 1140.279696 685.2090879 270.5912606 228.1121035 946.9505309 4.07813e-08 391.2789911 398.7370416 159.103678 386.667138 525.8653674 3280.107643 6922.286138 2746.282353 8674.372854 1778.530336 3762.562948 1324.288008 2989.514823 825.8019841 159.3401991 20.55554741 105.4260469 4.07813e-08 517.8426171 787.2032706 4.07813e-08 586.440227 525.957964 1396.51416 643.4988572 7795.199558 4041.830931 3584.365278 3244.807526 273.0707837 2719.612362 655.9200456 4.07813e-08 737.2062776 348.6231257 398.9377581 4.07813e-08 1888.142503 4.07813e-08 868.6101709 Isophenoxazine 1115.590973 880.3015303 927.9462995 707.2012613 1074.555654 882.1492286 1013.447682 656.3873476 666.6750019 473.6452992 532.9635958 469.224631 520.7353877 480.812508 560.7020609 592.1187859 393.856098 344.5118689 1453.005921 1250.357525 863.0821538 1105.762626 1137.120228 1129.402221 962.144694 1448.76344 1603.646431 722.7529298 824.3068948 522.1210119 731.5448958 937.0866334 659.4629025 1395.835238 691.3746821 521.8071905 883.6470782 1120.356275 972.455473 782.1517582 822.5420675 1259.187685 1050.05019 1403.613694 1164.294202 1402.984229 1516.505241 996.2900271 949.1875925 669.9777523 883.2532202 1149.924362 882.7731342 1354.271729 Ac-Tyr-OEt 8932.84256 6747.03288 9095.5882 9315.959871 9423.222366 7261.218806 8691.801317 8437.231383 7308.175319 4.07813e-08 705.1031464 688.0702991 512.2483783 224.8944856 8793.01263 447.2685405 492.2867053 334.7571333 5815.145124 5973.238687 5266.23183 8235.947921 5015.039485 5357.38559 6780.741024 4733.577524 4307.877447 547.3163906 329.1100665 1766.492067 789.8557511 664.3578139 2759.431409 88.15141925 724.6231226 1040.115805 8001.519262 6642.360521 7443.067539 4353.456033 6285.586726 7273.52685 5138.975773 5156.228457 6112.27898 5319.190067 6009.367801 5878.945206 5291.817637 4837.123431 3021.800764 5500.433969 903.8840428 6592.226294 Glycerol tripropanoate 1185.967792 2315.29663 1078.77189 1762.636329 1581.893115 4.07813e-08 315.3039674 147.8426223 872.1423803 615.5076022 1089.747696 404.6511381 1234.830377 284.4585127 4.07813e-08 85.43820814 193.2076692 565.9298081 1626.310254 1766.969654 3015.345284 1656.905111 1347.949374 1174.723794 877.933487 1111.057955 2189.759346 86.14932211 4.07813e-08 1289.545767 92.83361558 147.6253613 198.2750448 448.1886894 4.07813e-08 1518.239382 2149.145353 968.7967355 1565.554229 1603.50911 1720.953762 1427.184603 538.6543699 2310.883867 1388.623357 2583.116442 1103.626 1848.547666 1775.468044 3532.650396 139.0557087 1408.863412 706.7083188 1689.536247 Norbelladine 2617.134511 1192.241365 1533.50526 532.6807345 347.0384338 1965.462121 1516.851154 1004.108167 1112.983955 308.213946 219.6937462 232.3189982 366.4223569 353.6036554 337.3861482 455.3667967 66.9119747 440.8824548 9981.500008 8517.821046 6516.34324 6970.673023 8673.076997 8211.456108 8125.566616 9493.980076 10582.13305 1106.27912 655.6346495 508.2343446 378.0647926 735.6476402 506.993965 671.9919164 243.4708432 104.3048118 5064.642571 8070.470475 6078.918278 7698.057864 8215.071949 8218.297326 8832.634297 9624.813248 10741.79435 6924.67001 4112.982268 6941.454347 5057.094607 3801.273013 998.154006 6080.58197 502.8867665 5868.263216 Geranylacetone 15380.02038 4040.72164 10815.72157 7354.652311 4945.223105 18717.00489 30790.53186 16067.6935 22726.18706 148.6152585 359.5637811 134.7725369 89.82684742 227.1992028 84.90278498 322.4246592 193.1649085 283.8484201 1731.771592 1925.2517 2905.228796 7753.42632 3061.503353 2889.073654 4634.301323 2540.501214 1665.80473 134.1705468 37.89177664 168.7444612 182.0543093 49.57657536 314.6996631 126.1571049 450.5943724 322.0079878 16655.57258 7715.708403 9523.025039 4109.469815 5351.158253 4152.549472 4459.735663 3249.722873 889.1526752 3266.488609 5603.729073 18021.66894 10666.20235 7302.742029 5328.51215 7081.77812 13234.67833 20753.43455 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 257.6118672 21855.82514 4.07813e-08 192.6581078 4.07813e-08 1564.410446 25553.21746 52434.0659 4.07813e-08 4.07813e-08 5.871494564 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36106.68597 4.07813e-08 29720.66974 4.07813e-08 21269.64714 41819.03458 4.07813e-08 19960.6234 2171.288199 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1590.68019 4.07813e-08 18086.49839 4.07813e-08 4-Heptyloxybenzoic acid 4519.808582 3353.948464 3411.346131 4591.413958 4968.434385 4413.23542 4637.141879 3409.581818 3631.364693 899.4208365 894.626542 667.3301702 558.6919011 590.0145118 810.4220329 568.3759915 1120.458174 1063.590863 6819.882533 6636.738528 6364.617975 5797.901343 8408.9005 6900.17748 6107.65805 4868.11116 4359.191475 936.4242246 541.5654072 910.2916868 561.7980821 961.4027221 1037.609501 1646.590182 881.6786053 845.1039376 5340.623689 5220.213119 4491.276139 6089.338419 6488.931085 7364.274762 5947.834953 4417.283671 5970.537193 6401.337277 4234.754269 5566.576403 2987.787718 3760.098101 1118.946527 4830.19735 549.398538 3584.885113 Methyl reserpate 4141.718292 25642.40579 1391.654052 8082.872242 6140.064919 1718.069821 27905.58464 6904.43478 11345.86599 1607.420772 1632.519824 1847.856803 1282.364833 2192.987158 448.0755178 365.8758998 1000.52341 189.8222305 1986.601505 1504.936102 1133.36179 38154.85422 994.3242836 1515.657399 24710.29292 2744.6277 487.161529 76.28638126 1047.498158 1559.637374 173.7083347 1159.5452 648.2191808 964.8809172 427.1978333 793.4818254 19350.19154 372.5526469 1286.665767 429.5541949 890.6955626 2473.531832 26.68471336 892.7488538 4719.092997 1542.507884 5864.130651 2687.0255 11216.90449 13454.25682 1724.229486 13533.23162 1078.187712 1687.765058 Dimetacrine tartrate 16208.946 105247.1347 7276.495292 22580.05618 16823.18731 4365.37082 105784.9426 33166.94743 31998.66323 2012.673489 2328.407376 2076.440371 2768.766503 1336.02694 4612.262706 916.3632973 2786.652082 1977.328181 6199.715167 1412.878198 8400.282583 304220.1965 1485.772108 644.6714366 95232.53684 3262.737164 3984.208442 1101.248865 2630.29126 2210.075437 2211.668086 3334.617095 2528.215608 2480.472432 932.0811188 1153.020808 61548.63808 2078.374122 3106.824662 1878.476844 3068.99122 4873.062078 820.8179857 4404.126938 18940.26109 7218.11087 28026.83671 14201.8396 41274.58391 39291.63722 3370.3356 52183.08825 3078.216809 20138.58812 p-Hydroxyphenylbutazone 1428.458136 492.0639878 403.9648009 610.5184276 449.6512602 1461.19214 2029.735973 312.2998711 360.9041599 1089.816449 1485.380999 1823.550459 934.3707149 2589.564512 870.8004134 817.555039 912.5424492 793.7877508 1031.006999 573.1097393 6891.592305 6902.290342 3426.709124 1164.114896 1121.582743 1054.507573 1284.554909 1305.022735 1953.820921 2208.342814 507.8491448 3775.17847 2716.957077 780.1878303 1719.032949 2136.388872 3704.074791 958.411746 2527.133477 2952.534269 2406.324305 1672.047176 1190.504767 618.501442 1260.876683 895.3720039 530.7085183 1229.849722 482.8943512 627.7557786 2140.263406 267.3125899 998.5543769 1073.466258 Dodecylphosphocholine 278415.5572 196752.0658 241702.128 231409.541 240948.1977 263950.1781 293690.337 123885.5867 139470.7601 74655.4495 95678.68474 87055.03991 81368.60078 122906.4582 100603.6104 57727.3253 62133.92335 43400.91212 493066.9985 456492.5104 360333.0174 417753.0773 445537.7814 473732.1611 481561.8252 500472.1174 482779.0034 100677.3169 120608.7503 135377.2314 130307.6082 205032.9632 142140.3154 108615.6298 85670.96696 104422.1723 295068.5384 367011.6814 310234.747 375235.2347 486264.4454 414385.1351 425774.7098 441164.4142 530154.9896 391061.356 291331.8203 347796.8663 287039.436 242205.7408 168843.9935 330311.828 169048.6995 352558.6242 Musaroside 8287.181174 20416.035 4.07813e-08 1056.00818 4.07813e-08 182.0243138 5784.975286 13429.67381 22927.88486 128951.9726 229196.3965 79086.55944 99596.80231 20256.96797 202303.2315 254574.3434 56385.40154 91225.82317 4.07813e-08 54.29684736 918.7370843 86.53009063 191.4770835 354.5202923 1005.150663 4.07813e-08 4.07813e-08 16267.91199 167826.0318 54910.62327 205818.1289 65961.56722 139250.1687 233670.7487 105619.7254 79335.97968 1233.279087 278.1025095 21.12444613 225.4005504 60.86230238 149.4160174 476.0926732 257.4108006 4.07813e-08 4.07813e-08 200.5615877 4.07813e-08 1222.887452 5331.28649 57229.6532 16.79774425 43160.46361 242.8125886 PC(O-11:1(10E)/2:0) 16655.23548 20188.25099 20583.67938 21134.08856 34290.8594 38089.14273 24026.52885 35448.40701 13382.80397 4.07813e-08 573.9212747 4.07813e-08 4.07813e-08 4.07813e-08 191.2646745 187.3745897 299.9073572 4.07813e-08 24421.8681 53298.92229 38122.87594 26961.18883 43306.51668 37734.00053 33646.15065 37293.38132 35553.77853 2329.837798 4.07813e-08 389.5390898 275.2857274 2104.314672 430.3040411 4.07813e-08 1309.119348 4.07813e-08 13798.87167 38430.85241 25427.53256 38122.33769 46288.41655 48670.20722 43546.65261 36114.37871 50579.87284 40594.2815 36849.5679 27287.73228 37337.06034 16400.69105 857.0706922 28390.79591 1140.071684 48793.00334 Abruquinone C 4.07813e-08 4.07813e-08 4.07813e-08 0.995943192 4.07813e-08 0.326191603 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59351.32235 4.07813e-08 4.07813e-08 4.07813e-08 2060.140359 147180.8322 21513.62264 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 192246.0237 4.07813e-08 60599.95388 4.07813e-08 11835.32942 19427.81422 14.64921642 38621.70436 1659.757744 1.057277474 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28.02095876 4.07813e-08 32399.21524 0.567529206 Vanillin 3-(L-menthoxy)propane-1,2-diol acetal 24142.53132 11382.80004 19114.90802 19044.57647 20208.3433 20402.45487 9505.533427 18356.03953 20628.26425 1516.230027 3006.137828 2377.300748 2208.648876 1455.786633 3561.921843 1118.524755 173.5452666 1670.736371 22096.2727 28019.89903 19541.03957 20816.08963 27169.01621 25920.62319 16644.07845 25428.14102 37055.9121 1429.198833 1349.299779 4937.551327 1872.212726 3736.99657 1969.990255 5933.543055 3508.833703 1882.978642 20049.52442 22189.96117 23011.92262 24448.57593 24123.86342 17200.11097 23645.22828 22119.09781 31082.06644 33719.13267 21892.07944 14475.41174 12486.6002 11995.45767 5328.983559 9508.462211 13187.37804 12574.2754 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline 4669.729071 7900.319942 7982.329261 9845.651468 15340.30285 2685.025288 3005.86651 451.6405473 21304.56323 242.7896334 943.6948403 1787.228464 303.0475969 2580.217199 2010.675775 3618.427747 4.07813e-08 1434.060632 5102.410194 8380.569166 3982.414407 8421.535303 3440.318271 5490.514042 5110.147423 13139.61568 10079.85122 333.0782085 1821.393121 429.0364763 879.1300283 1129.122427 522.8213528 1281.48439 3198.264608 644.2502247 4093.800993 5715.696166 2820.11974 4525.815406 9386.611069 2618.436159 4692.73222 10883.81007 11777.67786 19566.18278 8604.472704 7987.634571 7923.325142 2288.431341 865.2674445 8986.513262 526.6416994 1076.474395 Tetracosahexaenoic acid, n-3 13457.02324 8054.827293 12912.19112 13662.595 11752.10234 24329.4098 14687.54575 9905.055419 8300.331992 1145.515528 1236.241424 219.2460956 2092.253242 101.0723332 248.670253 1838.439926 11150.16251 182.449091 26167.61153 20134.58831 16144.3086 19915.27742 20203.07528 16656.95168 13474.60091 10418.03654 13035.17959 5495.064109 843.1752618 935.3732703 111.8170203 1558.663535 244.9144267 262.3069544 6174.267556 394.7808591 14935.88526 14686.90446 17084.05929 14881.34999 18270.24706 20100.43952 15332.30893 9678.757921 15369.94484 17641.29781 15461.48004 18444.11903 12672.48664 6941.812331 641.8117926 18396.88969 473.2864043 15020.68532 Hydroxyhydroquinone 7129.355589 6995.036983 6516.772953 6545.341899 6522.258343 5474.41213 6548.029925 6517.579999 7352.535701 4838.058838 4390.857831 4227.520172 4585.805276 5142.875318 3673.93395 5393.902052 4619.60999 4753.781866 4460.203615 4844.507342 4358.536478 5162.23888 4114.522906 4777.920238 5903.70987 6546.029037 5170.167213 4332.326095 4421.676808 4927.203296 4887.195002 4626.941182 4707.110264 4325.584433 4988.430184 5653.814835 4959.4082 4731.400553 5232.899392 3816.496303 5366.495796 5394.70245 5098.142829 6403.957275 5159.19026 6339.639162 5157.607631 5484.352674 5554.00434 5276.402299 4459.820632 5170.019144 5564.581794 6614.183619 (R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one 985.088665 1029.362379 1148.054115 1021.31023 1159.295465 875.812934 902.8426949 836.9681835 773.8520295 690.1066928 565.2416603 607.8147114 732.8413097 804.9911642 542.1183739 974.2130988 805.1822858 837.3610702 497.1617165 654.4646837 570.0516985 899.9535183 683.4712225 1023.301295 1000.034916 836.2766421 898.204417 734.5793635 623.2700084 772.4820607 800.18059 722.910475 679.4576534 560.3992314 643.8561574 1030.970693 761.9924587 583.0109969 685.724843 565.5566195 769.2432808 771.7342159 709.5745993 1199.656963 906.7884268 897.5486835 710.787992 788.3293732 558.8954908 655.6692049 593.6549883 598.8891447 689.6684888 1029.952528 Trans-Hexa-dec-2-enoic acid 74064.71036 70890.8283 70999.71615 68323.69499 63707.18495 52566.22878 51718.46053 70090.93358 70763.14097 48008.7707 40045.93678 40687.99671 41028.11261 42619.70458 33018.36723 67192.8433 47916.99733 56202.63398 42615.31107 46298.53874 41626.2306 43144.93142 41035.38713 39864.95281 60794.16236 64080.22658 57407.94991 41918.5712 43027.7876 47188.7659 46746.22324 36915.81769 54418.53398 43002.99058 49351.1346 58394.81431 51561.70505 42319.65265 42397.92949 37491.95453 52734.20147 52776.64326 51190.19305 62304.50036 54255.71825 50149.11787 46022.0227 42176.57423 61313.41737 58575.27531 44714.25717 53802.1116 53917.46542 63786.46493 Deoxyhypusine 7596.335191 5988.45176 6751.95691 5217.211475 6218.747124 5568.03731 4002.790962 6157.259881 6688.289404 1597.840841 1676.507285 3103.970306 2184.07481 4301.690812 2072.537041 1464.265334 1237.10841 1633.909662 7718.10221 6569.380787 5404.682193 6550.403489 5302.434494 3752.404982 9156.430715 7755.225837 9685.359757 396.1216525 2521.213533 3830.740545 1412.811782 3151.952646 2460.616151 4284.975496 4.07813e-08 3885.21479 7350.685557 6791.517125 8027.992037 6279.976274 6893.904949 4563.465543 6004.647971 9926.552942 5216.712067 4139.255209 4713.761877 5715.139936 5038.415319 4036.040347 4637.727671 6731.608579 607.8510246 3909.853626 Doxylamine 24274.15337 24321.47913 28639.32439 27083.53764 32881.03676 30875.79508 29866.36649 27403.20605 21114.84197 14024.47223 12659.36164 3704.988965 17991.91837 3281.353065 6246.683683 3309.593853 3631.136846 3749.866992 36292.46529 33322.4771 46110.32349 41670.29912 68814.76526 38853.8965 28285.66737 84968.85312 95614.38195 12161.11017 17673.85804 8421.632772 9823.810104 19610.92788 13140.61666 18865.81237 4042.60037 6245.421555 12104.13596 37835.65007 42992.51353 39171.57296 48792.06457 32504.26502 46423.86284 91814.92327 65855.47068 28300.38339 9895.910179 32271.1945 31416.83522 34431.34308 22629.66392 22779.34564 12260.61761 38727.16699 3-Hydroxypropenoate 52630.69671 55423.00458 34459.94927 39375.28706 30745.13492 30859.24647 42411.26068 54820.591 91783.62733 34384.51995 94943.91777 68180.66983 37513.78108 39983.14256 42248.80552 57638.09094 80874.98224 32202.52677 21204.79013 17262.42499 23987.65819 15159.94636 18586.11801 20332.42413 26778.34701 20548.74424 28680.76381 138971.8346 33899.51928 30725.79898 34796.39369 50574.49488 25332.23086 18131.81896 92519.98988 34145.89223 28105.83826 26383.08253 31762.74242 27516.74204 23273.35397 23547.91002 17449.50718 31160.47376 14190.40449 21710.08391 42414.15856 36699.19588 34629.23627 33814.60854 36077.10132 29147.32626 105641.9253 28193.78496 3-Hydroxyisoheptanoic acid 9363.651285 5409.252213 10206.75114 8019.102205 4941.829447 5155.507237 8517.474603 4874.614926 5460.277264 4121.543835 1782.628103 2153.574073 3185.643415 1706.125639 3189.469346 1539.808818 389.8330035 2508.843338 26668.57451 14077.872 22680.89764 24398.79041 15072.27164 17847.13654 15076.53927 26365.40277 22034.59486 1243.342941 3073.642339 1214.634135 930.5947805 1563.315465 4044.872786 5996.907971 1611.897485 2503.662719 11192.64418 13293.18963 20742.85909 17737.56339 22179.97332 10372.93805 14677.32043 28702.92706 23104.04487 16042.27136 13882.61192 10290.59132 11980.87265 9658.739268 3632.141161 10084.38019 1892.908445 9757.49015 Tuliposide A 18877.64583 17673.32108 20686.50358 28229.2077 29278.64157 21916.11627 17544.45918 15289.41713 9235.147015 39184.95231 28265.53848 18422.13348 34587.65155 23347.13666 23115.1336 13584.80309 13134.73626 16254.29859 27129.65665 17114.69088 20443.53246 26626.56189 24398.13101 23702.02749 23218.28369 20346.97058 30462.80229 25847.91377 19067.7696 17492.38113 13228.53053 30657.55393 26347.29957 26310.86124 9539.177082 13899.1464 23393.50737 24499.24329 31948.6527 25930.7561 27829.40184 30856.70893 27076.33922 18148.21115 27542.72882 12459.60202 12987.85689 24734.1519 21001.89226 29558.17511 26161.13645 22885.70712 15310.82801 21034.17992 Phenylethylmalonamide (PEMA) 85335.02046 61285.02654 59657.70772 48387.53218 55991.16999 68873.05256 70783.53389 74484.56232 66212.95829 29117.09031 24462.35249 19426.01643 33439.8565 17118.62699 26420.71865 12933.8877 14612.1192 26279.815 110802.3114 97209.31412 87455.13605 80047.79516 96848.61892 102032.2877 84429.85121 109123.0894 103432.2078 21512.90905 23941.23898 18776.28146 19760.42119 31548.1966 28355.28228 27888.23557 12927.98256 18638.96597 63417.02938 82851.26959 81843.89118 83618.97436 91722.62141 104791.2876 94901.59922 102944.3326 142096.1688 62426.37647 56054.75015 63212.778 63328.06641 54197.71852 34772.39657 69282.13861 22051.60596 67803.23941 Aspirin 74672.25272 75209.87753 84786.85738 115265.1401 113690.9472 88249.99947 76712.57828 71108.32302 54017.20165 32933.2623 35971.14199 63311.99275 36833.38911 56034.83331 25909.46861 37818.17047 25916.09259 38600.9193 82494.22689 77129.03841 80316.58157 77649.62379 92821.89568 86167.03897 82938.77685 92741.935 93093.47781 29215.7427 29818.91988 53613.25433 24174.13348 39904.90199 55426.84753 34247.32359 30841.79736 38954.93008 62222.7655 75039.15776 69844.00838 79430.36503 82346.2661 87076.28086 72674.34388 82509.19404 111235.7253 63800.89683 56104.65924 65280.68881 61129.30593 53559.40057 33186.89498 62735.34146 33110.44116 78776.28673 DIBOA 9187.625325 9326.619777 12746.37142 15986.07865 14704.0509 11085.24219 10019.97407 4802.406515 4301.622276 1907.13798 1496.251713 920.1095146 1508.556546 1302.295874 689.8401584 587.4199513 597.9632864 270.3065197 15894.09645 18698.60594 15331.2369 15024.00948 18231.40891 16072.39701 20290.16714 20661.04191 20229.25273 1042.911178 709.4508257 2169.920067 508.2357341 1453.712017 1328.086779 4894.655715 732.8188488 1574.582063 14350.86769 13956.89648 12095.3351 17197.16292 14209.70929 18650.7874 14931.92843 25060.27629 15498.83113 19422.67297 19329.98387 10297.07978 10753.13278 11740.54994 1485.067351 11698.65111 2776.178595 17340.31173 (S)-Oleuropeic acid 8495.373093 9308.526348 12833.45109 14199.73724 14138.41944 11825.16293 11496.39593 16069.10858 15511.70067 2340.50102 2508.949822 4685.408942 2692.850124 3740.233825 3235.881399 2453.846862 1966.66778 4300.75245 14741.85505 15249.69336 14177.62981 11450.19059 15373.53303 14048.18745 13206.72475 16697.47105 17499.60728 3132.926607 3066.914648 4161.71742 2413.188297 5020.332879 3869.726906 4286.709035 2131.267481 4017.902755 11149.54448 14788.61132 13075.18808 14487.90033 13252.68813 14470.93548 12486.2502 16115.94901 18083.97526 11354.46065 10549.11066 11345.50413 10582.39974 10198.1463 4502.042915 12185.32282 4437.900314 10939.80279 Hydrocinnamic acid 3030.192622 1907.848217 4416.892808 2420.813688 2493.114227 3542.0277 2689.236083 3178.28708 22833.15601 619.5824823 481.4683132 369.1808853 735.5547455 497.5579486 628.6669015 507.0919521 410.5737057 462.8460156 3962.592263 3752.841375 6249.943806 3884.075381 4380.598374 6991.745795 5251.776747 3897.758949 4215.104941 318.7874822 533.6480361 901.5047285 598.0735825 617.209993 659.8081644 703.6440763 424.1945829 981.466592 2243.226121 4832.009495 3405.49463 4523.176679 4013.98044 4012.816592 7749.228535 4091.551772 4482.835853 3555.807381 3124.487779 2921.24103 2496.545745 2660.433813 868.2929889 2047.967431 314.9307388 3701.255932 Brunfelsamidine 25489.07976 25147.09429 12951.99551 12485.77142 11312.40438 9273.678576 22783.4603 35014.41546 47036.58493 15160.10955 14461.70879 22479.24837 17695.65719 12101.57393 17382.8386 18847.07451 15988.52212 33603.44846 6697.282927 7229.522286 8177.948375 2531.694616 5368.879014 8298.238672 11140.85522 11922.15029 7705.051449 41602.97233 19783.39699 18365.37021 36554.81533 22148.92488 23183.17624 22632.02684 27311.0653 15744.28794 14371.2035 7267.912975 8099.282135 10259.27503 6831.749784 4915.819253 10172.45759 14015.41566 5224.112032 14899.41453 18290.12455 19500.9481 16557.91193 18073.43495 15430.12292 22402.43809 37739.90999 13091.39174 NSC 210902 3607.991057 1418.553153 4974.836835 3878.08482 4429.844315 2428.195678 2777.204836 1702.495817 388.9956403 1301.76098 1408.322705 804.3212528 2328.852686 2366.303869 1652.557645 1729.034309 593.8160591 1810.675876 2293.103615 2434.840969 1292.701338 3934.948535 2043.317315 1689.418618 1795.749663 3013.441806 3140.826604 366.1489612 1507.213997 2338.598051 1541.763753 655.11431 1310.721171 836.2188782 1266.483346 3177.928318 1864.240901 2211.26085 2364.755242 2248.657241 1972.959717 2589.777539 2201.259537 4195.925719 3049.073395 3329.09713 1310.416663 1010.291695 1999.541694 1708.909115 1343.64679 2579.210276 2018.396327 2533.590567 Eseridine 7714.399254 36114.87782 3827.275448 7138.104919 3752.223743 9558.185074 19907.90548 23813.0607 18415.15878 18651.75632 19128.90823 27183.05465 28959.63709 28432.06965 10255.98019 1843.797159 6323.746997 17530.76474 8157.773086 7579.047926 10427.69337 6278.077835 6864.482785 4884.406688 5659.265331 7102.375276 5567.846686 13311.07944 9656.665979 5237.991277 10372.50467 13029.90685 13985.81032 15188.59318 4890.49736 4682.50997 4066.608849 5394.865717 10776.13361 7606.179219 4232.160758 5726.170072 6889.6076 4045.274656 7836.872638 5853.621193 11225.07766 7185.622437 9817.052865 29153.32399 21775.01283 6827.185158 38995.13697 5810.068575 Tropine 23728.32189 22425.50696 10259.46697 15078.58455 11365.54958 7944.393073 12132.94203 27630.39964 17798.0308 141.680278 4.07813e-08 72.11988638 163.7583848 63.03036164 332.7095818 4.07813e-08 1047.134169 2187.19525 2477.089363 2960.545724 18748.14903 5997.724886 7579.725373 7592.66235 24474.47824 7379.273799 5352.113327 142.5359084 95.952946 75.52517955 146.2233778 87.94219155 235.9740123 317.6071639 4.07813e-08 126.6506109 19449.87444 8992.109749 7722.114228 14338.79026 3202.87601 4668.117616 7505.518827 11480.11944 3337.437652 7918.000853 3983.385204 11662.3511 16887.97984 21423.98366 400.1817031 10068.09703 4.07813e-08 5475.941697 Methyl 4-oxo-2-pentenoate 6666.467384 6456.495298 6626.037006 6776.85197 6959.866099 5789.032174 5077.792209 7673.355205 6168.652429 2311.14702 1835.37434 3239.22741 2010.743758 2169.388355 2247.754283 3674.791568 2701.739438 3768.064419 7319.119887 7555.851125 7529.921087 6465.347429 4155.133257 7087.361181 6023.685738 16866.81339 9865.367947 3935.431926 2690.656174 3678.724786 3123.216355 4254.296174 3221.245744 3221.699704 5045.851554 2887.833454 5494.933948 6292.305998 7144.700794 6274.174764 7008.510149 5516.49895 6478.26075 16446.66577 9261.297382 5382.469752 4296.862973 7070.232784 8993.6481 8257.504509 4139.485708 7384.029397 2987.171734 4498.691162 R-Soterenol 12446.40251 21038.87548 3420.344791 6722.032503 4993.483071 6509.770039 12844.59077 24125.94992 32289.30774 657.8248736 141.425009 582.2936227 719.8411088 484.5482308 170.8485013 64.0232471 326.4457293 328.5816974 2736.970651 3572.960696 8889.119661 2426.424263 3746.128509 3386.939052 2598.378786 2129.854014 2322.747911 422.1754163 655.5187233 821.9640684 255.8989135 664.2738079 437.8153831 821.7362793 246.9854615 654.2889991 3788.258338 4261.636727 4912.865267 3454.542774 2389.497486 3219.109459 2097.442633 1278.075697 2426.174576 1961.974321 12441.96436 5884.56182 13486.31506 17437.32102 760.4570186 11942.88591 280.6031852 7138.65565 4-ene-Valproic acid 5113.157345 7280.069054 12269.27858 14334.38715 8251.825436 4652.066756 3689.517533 5341.951653 5155.184462 540.0474824 817.8668288 900.5256735 521.0032507 734.8973496 570.4709696 530.5412147 290.8351262 730.8394823 6137.935698 5188.492816 9388.328654 6213.063257 4383.99975 3992.58448 6280.692319 13549.44509 7806.852576 728.3996736 923.0882905 976.9812676 495.429132 804.9625859 940.3140166 1111.244474 721.8961005 805.5081883 5031.111536 7493.35227 9095.7748 7669.048988 5599.520283 6642.816317 4602.596966 15234.592 4273.857377 2115.526529 2673.725818 3228.979687 4874.593288 5313.236842 677.3582194 3745.321679 878.7358607 3123.104741 3-Oxododecanoic acid glycerides 6114.406975 9632.160942 5440.604101 4775.840134 8227.400255 2828.7024 8747.692641 11700.10743 13157.00475 97047.96157 59986.83591 74422.77004 100092.7098 40346.53383 91176.13647 56166.24095 53748.67868 87359.01405 10794.52161 8454.01962 10733.19115 10713.08717 9250.169627 7850.653244 10061.81922 18292.87426 10735.9108 128270.9689 70312.07871 68881.21416 109284.3334 72614.58879 93219.77508 146653.689 57096.07662 79169.42261 7614.231237 8548.326219 8025.813698 10005.58906 9786.896424 10160.73786 5461.828508 20095.68722 12353.15623 6579.489327 7527.677416 7417.90243 13137.64958 19679.33374 125711.9775 6912.631463 80706.58987 7384.705051 Carboxy-PTIO 3877.157209 4133.892664 3151.451182 7559.992787 3961.799424 5039.887387 3816.727292 3929.745815 13852.96396 8672.158547 18257.01027 17093.45174 8394.001765 6048.121896 11734.85685 13397.10897 6720.255791 11240.37661 4170.613418 4628.168192 3445.547125 3174.364188 5384.379279 5361.580459 4336.47188 4990.470595 5953.219503 11596.79348 9231.298442 7919.569733 9332.545834 10591.21737 8084.197937 11558.00772 6831.047327 9442.441173 3445.323871 3866.560502 2703.165614 4666.084407 4038.302032 4335.7258 4482.850171 5008.204563 5434.105866 4912.892658 8956.88387 3564.56207 3367.210244 6027.329409 6293.982356 3887.305826 6932.860847 5218.135651 PG(22:4(7Z,10Z,13Z,16Z)/0:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6940.167462 16206.36494 4529.660305 4459.727435 19627.80936 12450.00678 27558.75672 30692.00207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27390.41567 806.3704837 37547.60435 13109.43408 53972.85601 29171.69427 6388.286939 31182.75863 925.4944678 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 194.6342518 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18445.52163 4.07813e-08 19548.35098 603.1067052 Enol-phenylpyruvate 2187.362021 2538.629538 1873.810587 2382.977522 2502.740327 1728.393803 1760.628974 1438.935174 2075.99563 1811.790762 1614.764352 1575.447997 1658.952228 1992.002773 1530.948811 1806.44809 1882.692786 1721.642467 1188.823216 1334.704938 809.8348434 1317.748347 1079.096316 1349.418495 1042.511356 1645.646691 1647.382326 1663.663798 1926.157223 2161.363036 1760.730712 1815.098006 1433.065034 1548.628403 1815.833418 2092.882266 1890.496076 1936.250992 1621.250167 1474.799329 989.69028 1456.541106 1276.679313 1901.438234 1749.438948 1153.303863 1290.623267 1438.412121 1503.300342 1413.999965 1511.715897 906.8501541 2132.79437 1754.302848 L-Palmitoylcarnitine 26172.78523 26174.05087 24532.48807 28457.7379 24404.50585 20924.15833 20266.00854 27927.74491 25953.81727 19036.72174 16408.17871 16853.89889 16260.89175 17206.27459 14216.8062 23140.09067 17800.23801 19407.71275 17470.04888 17538.29015 16715.10758 16430.15396 15445.65536 16701.61748 19508.51007 25880.41713 19776.09116 15353.29996 18779.22292 16802.46052 17470.19387 15437.59324 19553.88012 16319.34151 17798.84696 21314.90255 18863.7359 17468.74395 16366.16967 14687.50105 18120.81783 22306.94095 18828.44693 23938.42129 17500.31901 19209.32519 19233.70853 18572.96374 23750.43914 20500.54684 15160.85115 18718.49 20532.93481 24007.24225 2-Fluorobenzoate 61280.16669 61842.85374 61797.82485 55326.96105 39565.56891 41875.74717 36014.74642 55390.72986 53756.59383 35804.42436 29862.64371 30177.02918 30288.44198 23693.03443 25923.9086 45303.57954 34306.65282 41393.17093 34327.88709 33987.58584 29876.59668 27517.36916 26174.97655 25998.38654 44310.47339 44524.99013 41972.1759 29696.12413 38642.03728 33490.73006 31392.00277 24387.22554 39730.71011 35710.48408 42249.04042 39221.12249 36498.26658 29163.18928 29431.54294 26557.07541 38870.51176 36703.17097 44422.74127 51657.78102 40079.07647 33631.21143 29491.41553 29064.61809 49060.28582 44935.70237 29274.87418 38804.17235 40940.5197 51550.82745 3-Fluorocatechol 2455.79789 2083.379419 1729.922206 1439.076644 640.5622523 825.5732965 565.4917869 2373.655486 1548.280468 1339.92142 1373.321569 1180.507454 841.3667149 993.0033688 627.5837635 1276.682597 981.3896468 1071.46603 911.0455159 1144.793029 1230.790985 850.9565475 445.9166605 585.0887146 1249.623923 1860.221089 892.4485457 1061.11847 1016.601122 782.0197193 799.3186617 821.6310035 1298.820521 994.1986022 1464.319267 1243.483349 1244.733873 745.9001926 694.625105 657.5011258 796.3960451 1344.256033 1655.480031 1464.935553 1538.411621 1214.276048 658.8288895 716.1850055 941.8864988 1968.731508 1008.914072 1658.267425 1464.743726 1253.06456 2'-N-Acetylparomamine 10786.70958 26802.69542 9167.393833 15720.51625 8668.671871 9591.373517 16102.62407 22970.82001 18901.39497 8592.715685 6714.57487 6867.48589 10323.8238 4787.46216 7005.08731 2986.048943 10874.40642 8084.188892 825.1074402 973.0084577 4966.785176 620.4520881 2157.974826 1679.794211 1915.548856 2365.987023 3465.617719 5090.437451 7901.449523 3097.448419 4964.421547 6874.435062 6500.654731 5960.276654 4357.840174 6356.685503 1730.503943 3702.420657 5795.306009 5067.296192 1796.033587 3051.148848 473.2414715 1284.362043 659.322727 1948.63447 6946.237358 4546.838283 13676.9803 22133.11834 6847.737066 5380.438778 2728.533927 2359.39707 Robustine 1056.941302 989.055015 276.5482193 587.4144847 337.2697532 783.1632422 1073.749778 368.1269811 423.0339287 1451.326214 1280.687893 736.6482267 1512.611866 1177.176461 1093.547416 84.62220124 1203.62296 1403.789971 3285.879114 3762.87126 2808.389798 3275.652492 4351.860417 3161.006313 3050.000458 3370.524561 3896.667163 1752.813407 1916.058565 1262.867525 1531.86697 2266.382378 1460.486147 2454.277621 688.8615235 1100.413276 2303.214085 2412.262801 3315.804814 2723.083877 2464.536204 3858.320332 3523.219437 4064.260762 4512.333826 2524.344617 1583.645059 2537.04514 2141.66566 2706.085979 3131.724146 1935.701473 2114.017089 3462.585768 4-(2,4-dihydroxy-5-methoxyphenyl)but-3-en-2-one 15377.61134 14132.75225 24498.47388 33035.4987 37705.00545 21043.15112 23116.95357 14181.96552 9700.075383 1930.128199 2795.556585 6199.624936 2066.192122 4567.880741 1899.071469 2774.727055 1137.227262 1263.314185 24892.61046 31153.51043 13726.8807 24084.94521 38184.3766 33786.83487 30795.10695 31538.73101 38154.12732 2263.881896 2412.621093 3968.690743 2364.593126 3928.080901 4155.913882 3468.651377 2623.136429 3595.393017 18595.93971 24205.93531 13021.94141 25327.44713 28715.26796 34202.09192 30056.47466 32558.39404 37402.52213 36182.07698 31434.21292 19459.30087 15961.22543 12397.75998 3065.872323 17662.05404 3095.906348 28384.76112 Tryptophyl-Serine 2213.823229 4322.682274 1045.299447 2939.690512 819.6973787 534.5785946 2206.861141 2564.610644 3021.548373 1762.982905 2391.447167 2663.570792 2337.038898 1426.978405 2501.327095 2392.991019 2560.625214 1890.093249 216.2983301 647.7836338 1559.051158 300.6858004 547.1861054 535.5375511 261.8936511 999.6959267 698.1916111 2567.748467 3219.337527 1712.606493 3016.00948 2770.45893 1213.490127 1220.416476 1533.713928 2230.88764 868.6461305 980.1988324 898.5569097 1501.626148 216.3986793 554.9124555 148.4590411 707.5221172 735.5492285 147.0168428 678.0309512 776.5662299 2019.330795 3893.112901 1282.083791 567.2101481 2275.236082 642.3597284 Lysyl-Tryptophan 2246.001415 1872.550118 2418.315407 2122.375408 2209.828346 2545.074986 3085.576179 4175.067147 2343.417431 613.1682763 216.2819405 479.0732677 420.2496616 291.7894189 997.9385264 78.39566241 391.6135534 252.9708462 717.5884397 549.373794 7.600195472 4.07813e-08 552.131869 1426.537903 4.07813e-08 4.07813e-08 873.7821754 684.9275383 543.3083836 165.614819 2482.342492 380.6444833 299.2723707 575.1929402 489.0811202 262.708857 938.3157217 959.8582299 1593.903555 1832.337411 581.3818357 717.9795493 1434.925545 2.142455442 4.07813e-08 1623.848698 1584.687669 678.854053 1078.772902 1962.255707 625.0918665 225.2763163 165.3152983 459.6403831 5-Hydroxyindoleacetaldehyde 3641.111211 3631.074478 2982.66722 2940.622008 2996.190934 2872.410877 2516.530503 3038.432814 2868.868083 2178.208792 2088.117858 2380.971539 2456.430046 2124.014728 1565.224167 2580.709707 2200.994736 2719.229774 1966.259296 2372.197899 2098.033425 2173.177577 1985.392235 2337.682608 2777.476453 2912.111881 2457.217782 1954.884774 2664.126503 2723.023688 3097.379469 2393.907596 3097.701955 2810.242044 2469.273554 2778.935746 3128.46722 2431.896437 2550.12504 2202.051607 2137.133388 2685.475476 2538.878047 2760.27447 2621.595735 2319.884425 2306.242378 2286.757379 2702.259673 2551.498332 2882.11987 2394.623234 3013.669358 3107.945279 7-Hexadecenoic acid, methyl ester 29857.31332 29586.60537 27899.07369 27148.1261 27094.34897 21585.69902 21335.15208 30737.47265 31599.79544 18982.1842 17441.29556 17660.70542 15476.10312 16178.78992 13209.77933 25446.09798 17958.49445 19017.12701 19416.58333 19410.25282 16767.82227 18075.49046 15299.07264 14875.53056 24377.50975 25757.52429 21992.71719 14310.5217 19001.32107 17977.46145 17967.80483 15167.31297 18997.47258 18130.68043 22300.76266 21910.85565 22064.5313 16635.54133 17542.2523 15639.52727 19192.56741 21095.89596 20840.47262 22432.38935 22315.27089 21037.18023 18943.43564 18467.55523 25333.79568 23510.01513 16973.62822 22752.58744 21204.80783 25811.32969 Norepinephrine 6942.504358 7355.079913 7203.833333 8667.682161 7944.599352 7147.971524 7537.747545 6362.631902 6061.83516 1747.507521 1406.874849 1311.492801 1645.664985 1100.008125 1009.266347 1282.144722 779.1970901 1175.521008 9992.886726 8714.627791 10139.6179 9582.944696 11483.84494 10495.05413 8893.501896 11816.31597 11775.67843 1142.523395 1263.641264 1344.171385 1812.058166 1541.650264 1656.828557 1504.167567 1355.074399 1429.583271 8112.662371 8220.757923 8305.1212 10209.98129 8180.779369 9661.114976 9376.345693 12791.0752 13952.00716 8325.543038 6288.136451 7731.516653 7439.771574 8900.118984 1768.622737 7757.433954 1389.276463 7902.693846 Dinobuton 10231.39787 19289.85698 1432.710902 6218.576593 1713.876381 891.2738788 5839.575878 7047.180692 3506.990695 51833.52676 42642.68903 27870.4991 53587.303 32670.307 36063.63189 27374.18443 50523.88253 42926.82993 1369.680916 1481.317325 1117.128349 1222.574786 129.3211045 4.07813e-08 2174.685044 8622.564925 505.5189526 30963.45115 35943.53081 42939.0079 29843.8392 39040.9811 44864.40012 37480.72548 26720.57389 37151.85305 15913.03339 735.1579039 709.983848 674.8757813 498.954778 530.665023 655.710548 6450.438749 11985.90428 254.7085857 161.6987236 2450.869965 5442.442653 7033.957629 45766.24568 4828.519798 38426.34599 3404.724569 Rhizocticin A 2021.115576 2258.662644 4121.223202 10761.4619 9917.323868 5150.244331 3971.643433 2249.520473 1081.180267 4.07813e-08 149.1866259 0.423354626 38.70667084 0.897530858 0.183162171 4.07813e-08 407.002232 4.07813e-08 5572.687261 5453.829604 8020.095104 9293.591315 11794.2763 6154.838216 8389.807008 5969.502872 9994.987193 4.07813e-08 4.07813e-08 48.99528144 80.56462799 199.7440259 28.65157399 243.6482286 0.150140348 4.07813e-08 6937.084402 5200.944489 5727.450563 9879.284148 7695.008788 8830.436228 6248.316296 4703.580007 10835.63212 3412.694689 103.449126 3994.077531 5161.441419 4552.733215 260.0690305 5279.049756 527.4741403 5775.951869 BUTACAINE 24248.57208 36027.57096 7984.552717 12724.62837 2926.317531 9008.153906 13432.14834 22805.47694 47375.64979 11012.02872 6625.671071 3439.785188 22442.72948 18446.18465 4806.71311 4955.39857 1921.046135 3441.15779 4924.619396 5390.740461 5159.159255 1622.714194 3363.036814 4882.901195 5264.667928 8836.217866 5917.854257 14956.2877 3225.744343 1772.833206 6427.658812 1726.752645 9404.560123 7282.60129 7293.635249 4351.199459 5761.169202 3879.764851 6784.443624 1592.796646 2876.883621 2245.336833 4543.31899 10220.46744 3466.131369 3238.328864 90323.23939 19618.92065 35348.0359 101860.7932 4016.547136 19050.10973 115149.6427 72139.71138 GARCINOLIC ACID 626.6329142 4972.811401 1730.653539 4304.370031 1137.413465 5946.035459 27889.24797 5623.007922 4.07813e-08 15374.02011 79583.75738 11168.56575 16042.52037 9602.223544 4300.455479 28360.6697 1207.197812 205466.2414 145.5722995 4.07813e-08 332.8297398 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59917.64102 63836.8168 129021.3431 139015.302 230731.5343 132099.0728 82899.46427 7411.56038 532341.9795 4.07813e-08 4.07813e-08 437.7962685 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3024.013179 3284.306291 102904.8746 1136.915549 82818.97913 4822.482677 4-Hydroxybenzoic acid 41.52183302 97.48930699 38.76911578 51.44269705 48.21232358 4.07813e-08 175.8853129 29.87399486 4.07813e-08 1184.852308 1175.430127 793.7590518 1107.299954 1149.24654 871.6301451 710.5233455 905.8864107 295.349632 4.07813e-08 36.18324053 4.07813e-08 4.07813e-08 41.31749354 4.07813e-08 4.07813e-08 4.07813e-08 39.56705946 1172.052455 783.3407028 884.2549178 616.7220572 1204.272006 1266.525789 1097.750278 769.7028689 999.9372095 38.82702698 4.07813e-08 30.54771552 25.99350956 4.07813e-08 4.07813e-08 4.07813e-08 71.3713381 51.17653081 39.82796019 34.13488211 4.07813e-08 4.07813e-08 4.07813e-08 1404.582643 4.07813e-08 1195.034661 4.07813e-08 Pilocarpic acid 4137.132559 3899.596508 2616.77512 3457.01068 2224.111936 3234.701377 3749.20163 5205.727821 5293.558615 97.36625362 340.0479922 412.7238888 210.6564798 282.3226264 215.9345747 68.73148467 327.8999081 395.4578122 4319.531099 3202.056889 3864.328621 2504.187965 3508.041745 3197.527091 3821.7914 4818.71093 5293.398705 53.77739048 174.9375888 81.27070256 117.2746584 183.0039884 148.8133106 314.3002217 87.64126438 372.3384431 3061.196472 3145.706688 3104.74383 3631.32493 3555.258082 3755.951969 2653.148124 4502.28662 3795.718598 2820.133851 3358.641576 2607.838081 2988.594538 4212.93449 293.1196679 2478.415279 222.5906145 2669.677295 5,6,7,8-Tetrahydro-4-methylquinoline 658.4475255 1826.061895 385.5075486 4.07813e-08 701.9488609 510.9234615 424.3850879 136.0265317 4.07813e-08 324.5976958 108.8153033 4.07813e-08 911.0821508 4.07813e-08 4.07813e-08 38.99355471 4.07813e-08 4.07813e-08 1420.575418 1998.913619 1716.502539 825.8455823 1722.113877 1706.465507 1534.918133 2085.590249 2038.669027 4.07813e-08 4.07813e-08 37.67582362 4.07813e-08 4.07813e-08 31.03752137 354.2268984 165.9817331 146.631923 1311.499718 1563.0339 1056.990676 1086.400224 880.1629773 2097.418228 2324.365463 2861.333775 1569.242315 1513.988051 719.0612182 454.9678888 1023.738882 2187.215644 84.00900909 863.0249003 717.6449369 706.147386 N-Carbobenzoxyglycylproline 5404.46238 3639.516206 5085.037482 5273.475153 5363.304124 6068.061729 5442.137472 2344.373777 3480.973815 706.8141996 419.0433942 400.6574789 1425.448133 1220.861697 596.5956319 1087.639016 668.1780126 252.6383911 14834.12797 11272.15546 12296.65942 9132.605975 13466.48042 11129.30699 11598.39548 13503.14597 13111.86378 903.2468865 1427.848538 458.2992108 904.3428289 2196.832679 1032.508804 1161.679508 489.5416643 122.4290889 10881.04403 9774.410097 8836.124986 11032.28639 10447.35319 12629.05828 11033.92327 12568.81167 17042.05103 7947.345082 7075.766925 8752.577069 6158.923505 5972.872895 2257.698957 7664.652927 2657.419598 9842.261206 Nicotine glucuronide 5122.264511 2948.617373 4922.121166 4150.237062 6268.114209 4152.828036 5957.415554 3599.975219 1851.434543 1556.197976 1122.093893 925.7290929 2619.127602 1040.961103 197.084563 239.5890278 50.92237252 1985.710807 8196.176637 9297.239494 7519.207408 6712.136024 8924.456102 9409.323195 8221.741608 9276.199757 9616.510232 777.9100565 1240.704521 1339.638246 897.7188126 1933.930979 1465.834851 1478.627839 193.1413025 592.9607707 7036.893709 7409.280397 5909.830179 8706.175962 7569.281751 10328.41009 9062.874226 10378.63111 12350.57837 8715.719307 6855.414619 6170.838377 4985.876147 3544.650562 1633.721402 5318.775962 997.5470482 8028.950706 p-Hydroxymethylphenidate 7963.77395 5416.485388 7439.972071 5157.542746 6301.392805 6700.3748 7584.975433 7870.597288 7182.40485 974.3646459 635.6156777 1070.374572 58.44905258 736.3961617 510.0558385 533.9544005 1007.824856 955.8862578 12333.26415 13798.20849 10012.25268 11340.54014 13324.13056 11369.97084 12466.31419 15334.9122 14198.90534 17148.59692 2353.83864 3538.038718 9121.714922 3875.280899 2156.185545 3322.349887 11734.4446 6008.964473 9437.112612 9226.521728 6919.025521 12261.26763 10407.8034 12384.64676 12134.2042 16683.63023 15672.41855 10748.56704 9292.830361 7214.855653 7195.400428 5052.723671 1466.583038 5988.448998 2948.311872 9098.659905 1-Oxo-1H-2-benzopyran-3-carboxaldehyde 7708.065869 6825.078184 8013.562205 8698.729714 7861.259985 5674.416729 5142.274294 8075.241535 6400.068685 1922.401614 1395.286216 1780.00419 1469.01277 2089.361222 952.566257 2234.032289 1457.169734 2277.957845 7867.878705 7136.415983 6327.116927 6838.737512 5225.833437 7295.132668 6505.815105 7442.071189 5947.900971 661.9680065 1630.008308 2731.786076 1791.13674 1548.976625 2077.865641 1876.588969 1885.789988 1753.29496 7453.254806 6408.716087 6044.040726 6038.707395 7391.033644 5518.147109 6787.143348 7212.098226 5687.079604 4886.839056 4103.04468 6309.731944 5358.300519 5780.370344 1813.440916 5688.831426 2266.212895 6008.225255 Physovenine 3040.202294 2724.287016 3739.722951 4139.573341 4467.197348 4050.84708 3093.143269 3077.997105 2555.956504 891.2730778 682.2571362 1417.356146 1060.77667 1817.004269 840.6477047 636.8307941 568.0699551 1394.195495 5107.250076 5578.824555 4191.612073 4846.980693 5154.293531 5791.832379 4656.672503 5320.138358 6061.221912 1012.546561 941.756238 972.6109909 962.6681219 1233.358615 1855.522205 1121.678591 795.786776 567.4203139 3643.379566 4735.355651 3866.283481 4950.360961 4304.634225 4954.48868 6083.373271 5205.834798 7827.411551 4595.45837 2776.328327 4275.56699 3159.655315 3637.020174 1356.015685 3787.123775 767.3063806 3838.136048 Armillaric acid 6.853978252 1.411600166 260.7434342 477.8271218 211.109346 4.07813e-08 29.21864503 408.5557263 640.6761841 9586.052261 4766.23084 509.9441584 8959.087197 251.2393889 30250.84506 218.5467699 10405.52583 17039.77918 801.3750457 1517.712975 794.0084352 347.8897226 1040.237768 798.8978691 587.2901102 54.19597014 1126.279418 11838.78045 11973.45598 241.609188 11754.50824 11621.08065 4808.682551 14807.47978 1894.575985 736.5915627 543.8276096 1006.001485 832.1082182 883.5878455 582.0193682 216.7991293 584.995014 1870.564184 1086.704888 141.9355517 181.6545555 538.2474521 5.119390225 837.6986869 13184.02866 956.6555668 9549.001352 115.9721571 Atherospermidine 27615.66521 24040.10323 20961.33231 21518.81287 63486.13135 14075.22153 10918.693 17538.47507 22875.56969 772.7218959 632.2909585 548.5879007 661.3567772 1044.565786 875.191473 724.5985518 2565.72225 556.0891634 32105.86608 15028.13198 23120.55256 22979.80721 44648.41147 8070.53926 5524.537788 1444.489235 20798.25197 603.8624458 434.4073207 764.9693773 116.4927121 141.2870032 4.07813e-08 310.7286969 1391.360315 258.7025012 6956.125043 37081.21115 18406.38984 24026.06145 21313.63571 18955.67307 11498.39506 1149.987852 3585.707426 769.8574382 6719.715797 10202.05118 14349.50375 13012.37509 4.07813e-08 26204.13529 12296.65491 9067.978537 L-Arginine phosphate 1104.42293 179.4198998 1229.800478 2875.972087 2657.433147 1961.789669 1049.992816 1397.694121 231.9288708 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17.5991825 4.07813e-08 4.07813e-08 295.0236661 355.1141721 932.6720153 1151.266286 3622.418808 744.8296911 1062.75479 4.07813e-08 1867.71837 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 770.9054133 580.3491073 1097.308315 1810.400239 755.4223466 1096.075784 477.2445235 4.07813e-08 1006.055798 376.9858945 4.07813e-08 338.4363648 1112.682383 1263.08361 4.07813e-08 658.0212321 4.07813e-08 720.6801949 2-Hydroxyfelbamate 986.4982606 1062.994777 1638.741511 2313.344799 4384.63006 1275.268925 5251.073603 895.3197295 487.2239548 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 288.2625163 2350.829807 92.58730384 407.5069775 7738.773506 6361.880724 3320.928342 166.8171528 2318.07776 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.200651368 4.07813e-08 906.2184371 1896.737863 313.5098563 738.7641216 1189.899058 2076.157017 7645.448683 223.3093972 969.5613559 3625.545912 3056.572902 518.9999978 4.07813e-08 210.8609501 4.07813e-08 325.4387644 4.07813e-08 7594.793388 N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid 11595.1433 6341.796905 7614.663875 5311.63561 8584.05963 8525.790459 9201.029224 8441.210608 6545.729931 3203.875468 4574.750752 1699.81809 3353.982624 1196.587568 3877.517202 1211.416332 941.1865674 1762.053147 24443.45824 16942.2506 18269.81414 15447.7076 23716.28552 23576.84292 17789.24263 39462.93372 30093.04146 4008.942739 3178.434627 2184.162823 3912.512073 2896.666752 1627.264047 3743.990763 1597.671033 2731.300193 13131.95885 12968.93357 15769.14302 17275.38431 16691.37904 21205.14456 21996.97858 40912.35129 27979.32023 17749.14016 13127.68714 12493.33384 13052.95533 13804.68169 3644.292059 13222.90769 5970.554724 16083.29837 (3Z,6Z)-3,6-Nonadienal 16216.77612 12816.78352 19125.3442 17150.13429 16937.14405 14810.87979 16123.88095 15362.52405 10998.025 3396.231315 3380.188707 3226.306117 3465.892422 3433.00318 3203.85221 4267.662799 3825.499032 4284.582285 19797.98092 19906.25572 18096.22966 20087.81892 22203.58447 18004.5653 19192.98184 25926.60698 21083.84029 3299.047697 3782.703739 4172.795872 3674.826365 4079.741203 3734.669768 3219.672788 4069.539776 4163.286525 14551.81924 17735.11933 15926.66695 19206.08337 19506.44881 20945.21334 17594.88692 25623.21743 26339.08871 15483.0565 13476.02545 16372.71042 13412.10381 14103.36503 4368.314917 15740.10302 18840.26162 19375.33655 (+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene 1485.522287 941.0886854 3154.519437 474.4929276 403.3985301 5639.959749 6993.427597 577.3222625 1134.612946 772.0146587 2186.404126 477.9870006 599.8241732 347.8923109 421.737458 1509.688836 368.301452 4.07813e-08 1554.005537 1544.239087 3245.47978 8467.915347 9793.82991 3991.49232 1491.920914 3199.619052 3673.975274 251.304536 273.3272521 2461.040401 2251.280333 1482.560801 2183.232902 1492.722961 265.6775697 425.8423817 7870.529891 4237.086521 6649.813439 3151.325278 5919.5732 2447.401235 4843.146594 3171.399407 3070.361115 662.1415573 1047.83556 1653.943098 1565.508862 978.0463489 443.9805364 1456.912687 1747.578627 1299.673783 Dipropyl hexanedioate 5373.364508 4913.333417 8488.903526 5368.543624 8940.755439 7905.103667 7074.700372 7992.341633 4681.53563 175.5134168 56.47683795 91.52029909 78.88189138 80.07469297 73.14801876 68.4498911 63.25266965 127.2129644 11871.68862 11477.10946 11656.46516 10468.94704 13946.59596 13992.63414 11669.14506 15310.98726 13396.48781 64.16358551 4.07813e-08 440.9780327 79.81109203 4.07813e-08 53.06528886 4.07813e-08 587.236041 124.7769331 7461.799866 9445.771832 9599.913127 10036.60624 12065.18421 14328.23294 12380.83497 15845.40451 15487.84135 13683.43948 9684.370952 10024.12256 9811.628552 7067.859714 73.04070879 9182.883013 214.8751813 13979.82358 1,3-Dihydroxy-N-methylacridone 3798.825086 2284.320558 2980.442045 2045.449461 1866.509409 4432.956503 3152.762738 2730.028384 2294.787387 255.5942911 4.07813e-08 58.69551432 187.0121418 273.4925584 425.757085 4.07813e-08 393.1327847 339.3304651 3404.613259 2238.571684 2303.253296 3866.985407 3187.487017 2884.894509 2461.915821 3774.132758 4372.323155 474.2600228 320.12468 4.07813e-08 901.4634725 173.0759082 58.30172864 432.9956159 430.4178359 417.3967007 3424.434684 2391.987945 3472.224506 2893.987202 2326.380023 2802.026186 3061.360467 4212.745218 2956.55166 4347.188044 3514.537269 3809.03991 3059.668938 2173.168458 796.0926654 3688.794017 407.5139975 4129.275364 Zolazepam 2310.574359 2735.9662 5595.794229 5925.971616 5682.659776 3085.876992 10284.61887 185.2710527 3145.065133 227.4342083 639.4366965 348.7022171 456.1835531 662.8329932 681.0234731 586.7814007 1189.616243 202.1791095 3341.766856 6752.684793 5708.695221 5344.25747 4716.274339 4270.802776 6153.250413 158.6539751 537.7520182 4.07813e-08 4.07813e-08 2013.67741 418.615316 857.3603718 115.7805267 368.488671 85.85538298 452.3283458 2671.867163 6151.994214 3597.289296 4092.832142 5967.520323 4541.269308 3907.840988 85.7884704 347.985748 4707.867907 3838.360176 6012.568286 2556.68447 3294.590455 268.4502705 4375.82213 97.01244793 485.3993165 Deoxystreptomycin 559.8292927 2193.962336 4.07813e-08 4.07813e-08 4.07813e-08 17.45122353 123.8102973 687.8797796 9141.11698 78873.97339 80863.68511 85136.23788 87371.51115 161696.6914 85664.41274 101187.8608 136114.6674 169482.5353 154.0824178 95.91231644 4.07813e-08 4.07813e-08 595.5127297 289.950537 46.19681854 257.2686991 322.4217088 102289.7545 116415.762 220314.2136 103706.9883 224632.9035 99706.41014 71724.88478 69153.41012 179858.3198 4.07813e-08 4.07813e-08 280.7643675 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1167.747864 536.9251567 4261.804091 3060.062664 164150.9659 721.8611011 86358.27981 4505.253814 Aspidoalbine 1405.812958 1817.288786 1627.777644 3099.31866 1354.780264 838.6387638 1931.800462 965.230388 1760.787353 80.28529199 411.4484307 233.0716428 588.2839556 357.7828469 185.6998922 100.8522107 170.9788146 178.8757697 1387.165719 2007.81925 1681.147761 4930.029649 1927.15309 1878.315985 1726.306956 2079.612353 2185.046705 231.893849 722.498614 357.4874342 468.4882979 113.3868807 1049.865784 425.2771285 4.07813e-08 198.5871374 17960.22078 2072.990534 937.4086629 1390.003377 1501.5213 2225.986461 2027.557863 2186.867522 2332.273115 1854.277311 1864.80035 1594.344559 1646.647935 2398.73916 614.6209169 1581.77181 259.957054 812.693553 12-oxo-10,11-dihydro-20-COOH-LTB4 38625.81068 31010.93168 33131.97661 35757.24644 41036.06934 35569.58555 39725.83404 34537.76157 32142.87191 14914.25406 15292.90708 13523.37648 15892.46099 12326.35681 12046.27524 6199.133989 11422.82303 13404.57799 84208.60101 81005.62199 72494.50439 64963.71777 82013.47489 74952.33953 72124.74064 84524.63106 84500.39188 13391.0355 14965.36876 16998.01893 11590.13347 20678.65733 14731.66983 18145.18129 7747.097782 12114.66634 52563.61622 66103.21372 56922.09312 71732.79232 76254.47945 77921.94497 65577.82405 80867.53708 96321.77583 59760.36809 45708.79064 52527.39848 47462.65152 42404.48699 22308.02605 54214.49928 17563.2835 55152.76129 CAY10492 1560.580457 1881.0129 1475.385107 1980.718239 3175.291747 2593.464981 2199.082605 2671.414603 2450.520693 4.07813e-08 38.15188444 7.240138819 4.07813e-08 340.9766117 81.41148823 158.5444711 97.43032355 4.07813e-08 3257.14611 3242.252253 2918.341527 2796.823368 3009.178252 2392.953208 2665.379675 3071.827359 2715.126399 4.07813e-08 0.003443535 2.131431401 4.07813e-08 4.07813e-08 0.226897546 4.07813e-08 4.882978063 196.3244941 2220.41119 2928.671513 2284.664999 2276.6653 2472.977512 2299.236578 2447.203795 2929.623996 3165.760906 2655.115214 1998.587252 2178.883963 1652.818328 1166.14645 31.63378282 2012.304809 85.81690409 2052.023005 N-Ethylglycocyamine 629.5309389 657.8238571 595.3408318 1102.985673 1152.199985 2122.754702 1361.000255 1399.09183 377.9450988 55.36278707 26.15831037 201.8757325 156.8767634 116.0451185 52.86764805 27.37760615 4.07813e-08 4.07813e-08 416.2627106 1173.534855 423.2248363 1228.549386 1204.753199 1511.051611 1071.87856 572.0558371 401.5927589 21.2202399 58.38941338 247.6158629 23.84621104 150.2610254 208.4713831 132.4977044 71.40560493 44.02425865 225.7784294 734.3113656 362.2083761 794.4553732 1280.361047 629.8919252 1151.21005 224.5683377 57.83104973 2048.17868 628.1591558 760.2620394 468.7360411 346.6622667 41.12977258 457.4207524 25.02036975 1839.687676 7-Hydroxycadalene 5264.489521 3587.884845 3373.111294 3440.786317 3524.640784 4393.481572 4184.518052 3000.345751 3044.220194 1409.128697 1310.976642 1148.753447 1643.000587 1374.896197 1191.375016 337.4779671 859.4979061 920.6854875 6398.103966 5919.080734 5550.646945 6402.61696 6472.029458 6405.877571 5642.574876 6511.529104 7775.5815 1229.969542 1560.771605 1634.408946 1912.429255 2450.769524 1622.045988 1556.887564 1305.936311 1125.400528 5072.637585 6556.254442 5552.252551 6400.66622 6081.268459 5554.814856 6656.369221 6750.739447 8064.189865 4657.636324 3318.82447 5216.354392 4617.676393 3890.785285 2032.214105 5030.08129 1774.037461 4906.633479 (Z)-3-Methyl-4-decenoic acid 12443.80069 11831.16261 11402.06568 11253.48626 11182.1816 8716.959603 9847.248732 10529.00933 11124.71337 7404.973401 7414.535011 6771.356099 7573.687075 7281.425891 5860.98397 10170.31362 6119.888048 8156.085404 6690.80183 6917.176994 6260.509735 6674.452149 5708.284741 6165.73394 8587.118446 9787.523707 8081.932535 5844.260139 7125.783065 8492.71476 9015.923192 6607.157396 8397.416615 6548.24216 8199.461578 9079.801843 8801.425648 7395.473593 7394.127726 6331.959989 6459.952512 7491.904337 8016.111302 9496.020787 8093.156531 8634.672257 7707.014995 7210.308579 8072.843396 8304.256368 5780.753116 8463.941425 9279.794413 10524.42289 N-Acetylprimaquine 8.409705322 28.75225432 16.82697169 10.7905267 343.2631565 257.5344653 132.6315561 209.1200445 442.8647983 4483.499364 5534.658106 4704.769216 3690.258118 988.6999711 4094.341953 3242.054509 2551.487174 1763.300459 418.9343131 484.7360618 283.0410457 183.2808982 556.5129411 340.6813477 307.8224309 445.7192713 407.6070391 6720.403004 6271.979388 3083.866844 14245.23223 2127.118624 1498.623206 6765.543806 3529.689482 10884.12177 103.9584663 90.51432572 31.68975637 490.5488967 292.9910079 163.2872369 285.5310411 86.81354106 536.5579044 159.5452381 185.3692501 24.25441878 16.58056293 254.2507216 1663.735966 313.7974701 3030.23012 136.4883619 Anacrotine 3810.385518 3457.595574 3921.027695 4798.35474 5660.557119 5259.10386 3379.533765 3369.004021 4839.789752 476.1426963 1213.15249 788.6865542 180.7633782 819.0813936 727.5998554 292.3678171 1345.314422 637.5072741 3885.02759 3925.33125 3204.913348 3315.689994 2884.978316 4057.020331 2899.424338 4124.636117 3268.021444 463.4065401 122.8296804 1424.487176 351.5225766 876.2428033 337.2356846 545.4116717 1017.407905 2501.934382 2833.736411 3260.660439 2042.015741 2648.821459 3081.595125 3426.56302 3327.47184 4106.654895 4938.404 4277.42061 2423.952899 3679.608439 2800.012789 1857.204023 714.6152137 2830.842302 186.4068575 3954.292468 HQL-79 1281.910417 2283.834192 1454.53634 1380.387722 1595.880578 2794.282707 2510.54005 701.552072 1456.968847 2370.414015 1362.659309 1656.839355 2154.829591 1320.695919 2136.38401 4.07813e-08 4.07813e-08 318.0488408 1533.657392 1257.417736 2689.225529 5273.843636 4178.325235 1724.454934 1945.173851 3652.810181 927.2355216 4.07813e-08 1583.555543 1921.109947 1652.744992 2762.611702 2646.881265 2704.70815 1544.190251 732.2582081 8940.144644 1200.442983 5748.574093 1791.379473 2615.619841 3230.741715 1401.396983 3407.14636 3521.411594 333.2973316 821.4276513 1772.319825 2826.291083 3230.451805 5890.880274 2495.192493 3883.5487 945.3378024 3-hydroxynonanoyl carnitine 7364.821445 6953.308579 6488.267072 8063.123396 6786.019784 8103.080575 6692.393524 4710.896665 7140.170997 2995.444231 4135.739654 7522.840906 3228.997297 8643.351217 4449.115255 5377.457648 6028.520751 5547.85034 6222.162993 4957.859156 4505.212416 6994.27245 4492.594362 5930.850058 4785.869507 3942.258708 3864.801685 2112.194919 5543.446678 13636.31138 5642.960715 13937.89284 5614.033859 3874.500314 6183.836099 11115.4931 5813.619732 5442.797686 4872.863169 3961.877363 5644.073935 6291.117501 5861.568888 4621.789757 3606.534403 4863.855267 4982.418922 7661.219216 4148.452069 5254.008963 3807.501806 5724.11675 4220.766818 5969.517719 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid 16145.2237 11380.43629 13773.69287 11827.54786 13237.68509 14642.68347 12513.92415 14716.54604 12261.81305 5356.012347 4788.200365 2435.217056 4724.689565 2003.026235 3800.752567 771.6870916 4464.342366 3933.84062 28522.6737 25093.46278 21056.19878 23476.10499 28939.70946 26428.20867 21615.11589 24189.32712 26135.43233 3302.344787 3612.326707 2736.004273 1802.057247 5243.496657 3700.666 4768.031225 1824.318252 1471.282612 22924.96603 21152.47982 20826.01343 21012.30481 25337.30061 27932.56728 28694.47697 23551.72598 29545.73925 23160.69702 18755.2427 25484.27702 16736.19916 15743.9773 8928.721516 21462.31154 4380.987385 20159.92668 1,2-Dihydronaphthalene-1,2-diol 9274.956342 11339.56801 11443.35704 13852.31766 15005.2576 20016.32374 8896.94276 14732.27992 17360.59086 366.2325227 563.5797936 488.686984 418.7535978 92.31052177 213.0534842 427.4170133 413.2277815 636.5591984 7885.343104 16318.42541 8902.926653 6476.910911 7663.51856 9533.696833 9619.16324 8975.66464 7276.212815 288.9915984 536.3603119 548.0921787 320.0270598 250.2500457 538.1462509 255.5969632 605.9623208 528.6036182 6830.312792 13643.42425 10822.70865 13626.13888 11610.44296 9672.398982 12117.04614 10828.60422 5752.030714 37157.36659 6845.408887 11978.84157 11136.48169 6347.355839 308.977138 8465.238154 632.9744332 12505.69488 1,3,12-Trihydroxycholan-24-oic acid 1911.736893 2423.809826 4396.017478 3569.082445 2475.305883 4337.96168 5048.597711 12189.89643 11087.37906 111.5394225 4.07813e-08 166.9768981 4.07813e-08 581.2916742 271.6891097 207.3643354 5.405352762 1304.677817 717.1642946 4836.505391 2156.867167 2005.894605 2493.955873 3609.813179 2751.288611 2066.851812 561.1746173 4.07813e-08 5.619834425 230.3872853 4.07813e-08 85.02426217 120.2305667 114.1167437 4.07813e-08 4.07813e-08 1758.193377 1686.943163 4618.923154 4646.464534 3152.548836 1551.220593 3376.574512 1257.929651 1337.537503 9173.634314 4585.951208 7733.019288 5368.698823 4431.210076 205.7603923 3334.133013 4.07813e-08 4930.937605 Linalyl anthranilate 292.6247428 4.07813e-08 641.8031524 614.9335403 771.218583 668.1546172 697.5194828 820.0300918 77.6544734 4.07813e-08 44.99445691 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1583.202501 2256.922906 1948.72428 2817.281138 1588.140806 1480.788924 1632.903443 653.6416973 922.6825583 4.07813e-08 4.07813e-08 4.07813e-08 52.2057896 52.71161907 4.07813e-08 4.07813e-08 60.58055161 4.07813e-08 951.0496453 1230.718452 465.9484615 1969.016927 1414.831651 1490.5541 2129.507018 499.8614427 971.5846438 223.8068528 241.9744529 842.9496477 254.1273764 228.8194689 368.7308898 444.9552064 4.07813e-08 996.6821504 Morphiceptin 3265.905113 5444.803993 2816.335427 5211.429675 2384.605347 1892.999547 12858.48356 6350.894265 2155.636148 5185.017291 280.1362301 4834.301764 10491.14816 59929.20247 15342.45528 6082.181028 3038.564429 37314.44591 1537.832922 4.07813e-08 4207.779495 1920.711324 236.3985688 4.07813e-08 4764.393416 1754.387838 4.07813e-08 3940.358568 4.07813e-08 12645.81441 2594.625409 6003.665987 11789.30135 2723.116499 2840.363836 33398.09802 15220.90441 765.7589372 1811.347073 151.5601547 181.1651551 6141.716471 4.07813e-08 421.9426903 4.07813e-08 4.07813e-08 1099.688144 2917.568747 6545.607173 4389.166672 4003.476578 3922.517749 377.8002136 4363.590098 Tridecanoylglycine 61033.40603 61252.04197 62941.18937 56260.74111 63685.28036 45838.44424 54337.24089 49101.82424 54205.09888 46169.65474 44516.69705 46148.51435 45908.76519 48960.57557 39223.77119 56143.40685 33897.44763 48864.52712 30500.04019 35379.47145 35952.21894 35157.79246 31924.79924 32539.27935 37562.25669 41771.33436 37387.18646 49381.60673 54125.92452 57037.24686 60963.91588 50722.20667 44757.2176 38968.9181 99411.2376 52702.40017 46821.75247 40654.95942 40755.06753 32868.69442 26506.55178 31930.72507 30564.3323 46022.10434 37635.62232 49011.23968 47185.43321 40675.83128 41453.86055 41712.86805 37227.9857 41553.25849 55150.35251 56065.03638 Emedastine 11803.73983 9547.545792 13428.18591 10128.7244 11963.57019 12985.36063 10676.53317 8713.931342 11447.43793 2917.794415 3226.842085 2887.654312 2900.725096 2490.964014 3311.977493 2527.969173 2901.975403 2132.238203 24524.59388 25177.66039 17774.03643 14748.05802 18676.23265 15358.80581 16679.38679 11381.65782 14459.92585 1936.967643 2446.769203 3396.5099 2004.603083 3272.070031 2622.090871 2722.027477 2293.892845 3654.551414 11024.16984 19137.90501 14451.52381 17991.71111 17081.975 20217.22417 13671.69359 12316.75907 12849.16536 13715.90479 10339.68999 16303.99844 10777.22091 9886.694246 4390.940815 16167.61368 3269.535455 13807.40636 3-(3,4-dimethyl-5-pentylfuran-2-yl)-propanoic acid 5585.907513 5236.849192 5190.264188 5092.670612 4930.378721 6149.165431 6203.049801 5610.306047 6074.233472 2836.046956 2859.563968 2404.378539 2685.137697 2936.608492 2183.952257 4143.653909 2762.947673 2878.33916 3913.053529 3612.136739 3845.083105 4107.40222 4494.964268 4378.099518 4856.945414 4993.832234 3825.924543 2166.273796 3416.439033 3459.823246 2781.35945 3181.799126 3783.169429 2736.458447 2840.059409 3777.980384 4927.929472 3880.617091 3420.745104 2902.961405 3707.667003 4704.633366 5151.597004 4959.406524 4304.186983 4049.594142 4433.480121 4803.819996 4799.429084 4138.061105 3212.695011 4391.749754 2692.900274 4935.042807 Taccagenin 386353.5598 356594.5887 360793.2623 99632.2653 62438.53078 371699.6668 90995.98732 497553.4544 416007.317 45957.39468 30406.83946 288429.2751 39916.76546 266127.3846 244603.3531 104067.4587 553589.4679 270687.0082 122112.4476 148465.3481 344935.3262 259488.5181 31075.22101 9033.962254 36267.40995 4267.979787 3768.19471 314641.1694 485631.8157 79995.26994 206332.6183 213677.6275 66466.96132 302106.4391 459512.4219 98251.88981 418553.5612 52146.51023 348452.2996 160302.9339 79708.39634 70607.75705 10449.65734 4150.960357 3884.69278 404323.4038 715026.8553 377777.6222 498080.83 315965.0181 200494.1805 433586.151 40122.54107 146825.3518 3,4-dimethyl-5-carboxyethyl-2-furanpentanoic acid 290458.245 249129.454 279185.8069 131656.5437 102827.8925 258626.4543 123353.7064 310214.6448 278021.5426 66479.30979 54693.15481 181194.6423 61888.23096 151448.3213 148593.9026 117840.5945 269866.4061 85932.3648 130753.9313 141315.9258 226492.2333 192120.1894 52219.97334 9213.116426 58155.51157 17349.17885 4175.578911 190033.1357 284908.6629 101713.941 180268.1527 175416.5836 87430.42664 200698.7069 255603.436 118899.9723 280696.6493 80093.877 233828.6568 137657.2605 90877.57134 90082.16775 9733.053116 14799.56987 3610.91468 256052.0154 316355.0459 236453.6896 266221.5496 218775.7158 141267.933 254178.6596 75733.46301 156833.7365 1,2-Dihexanoyl-sn-glycerol 3134.918457 2500.482959 2531.90788 2488.076527 2122.060677 2146.214952 2704.833689 2631.321049 2331.335484 1356.426689 1160.064046 1472.690097 1150.212612 1843.971806 1061.042983 2247.540725 906.4433762 2045.328157 2515.327344 2010.100458 2030.583134 1824.603117 2006.181214 1923.381037 2388.77007 2250.692615 2732.950677 990.3817703 1029.667089 1586.888761 1808.356539 1405.060805 1483.688797 1072.566103 1722.345773 2042.696258 2459.585584 2421.753275 1446.825047 1720.584484 2544.170944 2352.444293 2605.411743 1835.006091 2278.525902 2564.664321 1777.119993 2463.109905 2905.778159 1865.998446 1169.149083 2236.871272 1456.403736 2758.508772 3-amino-propanal 3289.269174 3559.104274 3333.81733 3552.133654 3536.332115 2979.690931 3479.09251 2630.26977 2730.961416 2072.800783 1908.284964 1952.202454 2285.612897 2763.621631 1758.680833 2317.441674 2022.003589 2288.829135 2145.003498 2400.376405 2188.281951 2830.083668 2329.725137 2826.488946 3019.950976 2860.322623 2466.464324 2400.733329 2317.38921 2763.214764 2768.319336 2332.01047 2174.576455 1608.145132 2442.118499 2816.717084 2783.689655 2196.237113 2674.255162 2109.896262 2384.531081 2406.403327 2366.437221 3268.189974 2686.950806 3271.009592 2608.50222 2875.115005 2266.696245 2461.226417 1986.703068 2372.134618 2590.711003 3256.083555 N-Nitrosodiethanolamine 47822.83173 47360.52517 50663.08428 46481.17483 47681.10123 39877.53794 38040.43725 40196.84781 42831.27411 31416.12333 29496.18338 27677.47803 29518.48859 32283.50906 24749.38587 38539.57333 28990.92379 37183.56947 31111.66971 33482.60613 28819.79646 33270.5779 29573.62729 29675.16491 35561.90409 39875.98751 37347.20575 29326.6334 30310.11087 36357.01926 35721.35079 29345.15204 31646.44946 28736.77276 33051.32692 37837.77067 35507.75866 30665.25204 31325.54617 28857.02341 29777.25116 32650.55621 32442.07699 42074.04779 36343.10365 36297.10029 33259.32871 32448.61452 35897.6057 37449.01683 29764.36666 36460.14929 38646.18267 46168.43043 Urea phosphate salt 828.3130961 745.3337631 954.1554489 974.1277023 1231.736965 689.3051005 705.7183449 795.8932895 1185.691769 634.672855 853.2608048 545.4282537 637.9920212 829.2600421 461.8038124 1441.695484 599.067786 507.7699235 1067.101059 574.0978016 1031.072468 675.1706201 886.0452887 650.4081692 712.4296952 704.2720816 725.2455175 530.5380597 1062.465667 1111.83362 1121.157496 610.0208318 707.4746108 419.6612644 645.969715 1157.283916 700.0458689 670.8055799 735.1487401 1089.240962 538.9687764 626.9253963 635.0454294 417.4353941 801.3048313 915.9272027 824.2683052 990.1765127 624.4632341 765.338985 669.6841664 1331.778549 932.1823216 852.0460379 Dihydroxyacetone phosphate 66405.00128 59343.20632 25522.82743 23898.28493 5188.662416 20057.16746 48208.84667 60484.73166 55710.20546 2523.847762 3268.051467 2204.559666 2237.660229 2656.316094 10736.92267 3807.832308 10065.06091 9568.408824 8595.781857 20635.34728 11602.41925 17644.97721 698.5884977 9912.579973 7603.001463 12925.61361 11161.6253 14590.49015 11050.81761 6783.969598 10723.81356 11432.42461 7269.943858 9337.560294 25087.92122 5519.669587 52858.4183 42883.83897 33628.82559 6646.68259 16154.53892 5053.059511 11788.34173 16910.24312 6444.251884 4894.942384 11508.23418 23464.33688 27861.86471 16447.08806 12137.21916 10144.89021 3974.595551 18118.04449 6-Amino-9H-purine-9-propanoic acid 70473.75003 159975.2643 25874.40067 24337.84916 45220.53774 10063.95116 54389.3251 71128.53152 63785.2573 9.625760982 10973.62652 4955.995243 13.08299412 3513.863301 8097.633552 58744.10793 14113.48639 13241.85187 5252.469415 3848.692272 8092.930256 8978.612665 6161.466067 3420.562709 5278.149009 4822.667514 8037.752921 41796.85657 1685.05086 46513.98526 5324.654945 19686.25205 12066.12705 29.32902321 60441.16333 15548.92965 5939.754334 6841.803395 5472.12687 4073.770652 7266.451972 4670.17988 3184.944428 4592.061108 9552.167037 3301.677616 4941.842266 4840.892409 65501.9503 68338.37551 5364.862195 23109.60962 5460.012508 49924.85417 1-Hydroxyhexane-1,2,6-tricarboxylate 51335.61066 70220.36515 59823.03568 74240.08405 67378.67538 57801.58959 74267.71782 76775.08455 53206.25766 191448.4817 141000.0825 93734.15406 195329.0658 82870.54632 140553.0508 55795.35907 46347.40819 94401.54047 45497.83796 32719.33716 41394.67042 36025.44927 39985.26739 32011.45355 35962.48691 34128.70519 50504.48287 153452.7925 136437.738 89775.22859 102065.4564 205441.4503 149913.5035 193025.8734 59400.56407 79690.9309 64713.23127 49245.80144 61896.48156 59601.82206 55809.57766 50980.02438 42789.2152 42748.53152 43449.07114 40204.30492 35333.03194 84284.4278 100551.1628 114723.4664 199815.5051 94858.70435 124605.9676 95452.35739 Aminoadipic acid 65696.00613 88748.62409 58697.98978 68958.12323 66229.71025 48059.11572 82620.45166 89028.95662 68110.35314 38445.71231 36727.23982 36518.86777 41853.42868 30460.62028 32811.30596 34525.48318 29775.52089 37555.5899 42958.28639 40640.6581 41853.54704 36495.66364 39245.04944 34260.37234 44794.55861 43261.30065 40817.34014 37834.05662 37274.43197 45490.33837 35649.69004 49471.36094 41709.67259 38481.62635 33650.15521 37435.38969 52403.773 43843.74194 48868.53212 43789.94098 42876.71585 44530.83181 38119.96282 47803.11749 36234.0822 51455.32418 52943.2349 50737.32079 71708.67217 69956.56762 43201.17907 60402.66689 43240.149 54350.1229 Isobutyrylglycine methyl ester 67127.03496 81801.04689 77096.4523 64774.78773 56399.89902 52847.46982 62933.45722 65574.21351 57572.83858 59453.07447 53087.74751 36068.38569 61301.01377 35408.89209 33038.45811 27151.94882 25999.44543 41579.09117 73753.44344 64009.26442 92199.24278 58764.79907 70321.48599 67299.76997 57364.67667 71050.10973 65359.94132 50846.79149 65723.22521 32289.15677 36477.8355 51890.18602 55512.25105 61631.45082 28812.53698 31221.06319 68450.30178 67479.17152 75915.66751 72094.78195 62782.26107 63281.65793 68441.46886 70619.3466 70358.14601 56548.52944 39243.29642 48990.5208 64529.54233 71638.53813 51199.51523 59352.76466 59118.24925 58020.54703 2-Nitrofuran 1554.068378 2437.993492 4064.788584 1310.077344 1673.968984 4610.315035 1993.737553 2723.430688 7479.561452 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8346.381443 7429.649694 13639.53017 4216.662768 18073.20677 11179.37819 4688.254155 1487.756006 11289.19216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 208.9613157 4.07813e-08 4.07813e-08 2009.154172 4693.907448 5660.280605 15808.20214 7111.190341 5963.433978 12148.41475 2657.631425 74.38268314 33426.42746 4552.217351 4477.506581 4093.363843 4037.491669 184.808646 5070.608763 4.07813e-08 3274.519021 4-Nitroanisole 28739.65392 26897.27995 33834.48395 45103.58592 40602.04221 29366.57164 28939.55283 27471.57267 18454.90987 9615.757963 11172.55902 14141.06403 10506.21336 13402.44952 6557.700142 10140.6177 5793.145423 5773.44875 25494.68498 25483.99984 22928.86461 24483.36804 26655.85755 27212.96561 25428.28594 27150.21832 31823.42777 6267.809278 8819.299983 12541.17622 4948.764247 9548.595008 16204.6324 9599.474404 8198.752095 8588.185454 18013.79754 23767.85087 22226.3853 25001.85906 24702.34292 26546.8431 23308.51302 29881.29042 30515.05034 20914.52198 20552.76989 20458.1858 23405.85776 18929.52563 8041.832512 23303.47274 7795.269604 23289.11595 Methylimidazoleacetic acid 56935.9449 49734.73935 57547.82156 59202.50873 53846.54884 50468.23805 55428.31058 54278.66944 55502.24777 17271.03689 19181.96721 19233.70646 18436.2408 16843.06596 15395.34933 11195.34034 9954.317133 14197.75759 76757.09981 65857.72981 68732.36457 66381.07628 76883.90845 72714.32923 67728.66429 77087.52723 80282.33173 20551.49717 21724.1291 16464.11317 14680.55429 27615.96326 23273.80415 23411.71574 12584.67023 15338.22411 54803.29978 68548.44522 71043.11717 71871.71919 73246.31199 68732.91295 71829.53434 74694.54195 94265.88368 45638.20991 44279.76849 61947.63692 57970.35741 52025.33279 24751.0843 59286.54701 22080.8687 57963.2015 (S)-2-Aceto-2-hydroxybutanoic acid 14527.6755 12042.35037 13234.19989 16947.00122 19372.36033 14268.97049 12893.76281 14664.39756 10969.7368 5700.382063 3994.893826 5998.796279 4941.342943 5593.836303 4528.689961 5504.961829 5552.456725 4156.331218 16004.06392 16278.42121 22238.65122 15965.05774 26645.2393 20755.50808 19036.49745 20302.76993 21379.94209 7950.963496 4515.329255 5593.570519 5602.343314 4282.023912 6054.85182 5847.507502 8916.55883 5809.849169 12681.76057 15949.80876 16808.03842 19594.44814 18183.44927 23847.25237 23493.88453 21691.08737 21383.95996 13733.09484 9699.897012 12881.57642 14103.45163 12214.40178 6745.259181 15539.0046 4448.71723 17672.48102 DL-3,4-Dihydroxyphenyl glycol 90452.52817 83910.01097 99794.77683 110581.822 116815.8753 81477.3484 96363.05795 69878.80396 59449.78183 58130.50036 53941.95931 53531.22375 63123.31623 48159.33082 49416.86729 35908.55053 25340.92515 42581.11922 105114.1094 104369.0293 104444.6563 98597.94135 117476.2582 97933.12528 97644.84782 115460.3162 105736.9382 42970.50474 55798.82054 57035.48387 42998.75572 67287.42985 61447.45124 60906.8525 33160.94522 43182.51727 85822.69537 93666.40329 97210.53378 98259.26637 105271.1305 125539.3408 90303.95616 110816.269 122348.197 91932.57109 93560.39022 80773.28668 89135.0823 82838.47869 60325.69568 91410.22372 58117.53952 99680.14172 Streptidine 6-phosphate 4327.709043 5825.114921 2467.992213 3955.364364 6908.205447 5121.509247 2292.965629 4208.793957 4.07813e-08 19678.53361 19644.34073 17139.77091 20205.70939 21050.75221 14644.83504 12613.27679 12249.39459 14456.30259 3856.100604 1376.245124 3841.819623 3898.26536 4209.953324 4.07813e-08 1228.574836 2164.458482 4.07813e-08 17446.71859 12328.93111 7227.38395 17748.89623 18572.44632 25076.24871 18375.88435 8242.854555 17809.53175 7932.868438 3300.62189 376.2224108 2847.86537 1112.461176 936.558648 1228.835977 382.2414538 1995.043081 4.07813e-08 3090.39342 4.07813e-08 2339.934938 2472.496199 28564.99403 3319.447875 18696.54365 3545.20031 1-Methyl-4-nitroimidazole 1551.509757 1518.091343 1293.121302 1466.369747 1802.933929 1131.253167 1124.295216 792.086081 1556.634649 1085.214713 983.7679486 1040.348191 1045.150043 837.0749336 453.6649715 817.9514079 764.4469649 892.9642269 1164.616409 1397.122518 1110.203938 961.72135 873.1642262 1209.005876 1731.483707 1626.036202 2348.696189 381.1250389 662.9903033 789.9215267 978.9726948 904.6404701 732.7122948 1381.219638 831.7906182 655.0902049 1269.545263 711.6804643 1044.435931 1031.028833 1163.090501 1653.127588 1497.836089 1880.798834 1234.016584 2283.181908 751.0933189 1717.2728 1222.519878 1198.991455 1423.759126 1540.651277 804.7183642 1817.988477 (2E,4E)-5-carboxypenta-2,4-dienoate 6674.686489 5712.121776 7358.737918 5565.761983 8135.544776 6841.756878 4103.057039 3538.840429 3740.511492 4238.496139 3279.708924 3398.366162 4020.840255 3171.101226 2518.615765 3004.437193 1362.429581 1997.477934 8000.408853 8149.088715 7736.900272 12724.7864 8103.145234 8109.710887 9447.598096 13453.91947 11335.02162 2233.758158 2631.844936 3355.487646 2224.989661 3787.701624 5030.516286 2941.257074 3046.846997 3198.895703 5680.408524 6262.954475 6310.624355 7134.341882 13720.95012 8525.688134 6396.353085 11914.99712 13567.28429 8291.114816 7480.48786 4702.457112 5289.363373 5435.942547 4076.412183 6160.201928 3464.563292 6260.636402 Mugineic acid 20478.56632 17914.87376 19903.92864 19574.54493 25867.27016 23255.18506 16112.18479 12550.5056 8586.213914 28115.71081 25882.65903 17722.0374 29059.11936 23576.08991 19164.95423 18351.07925 13067.4805 19791.52011 33806.30805 25700.92471 28259.03124 25320.31091 33959.93369 19522.29197 30655.48313 26002.84957 37576.42694 23920.18215 19807.72809 29859.98273 14583.75579 31104.83793 32715.81183 21533.72072 16097.96903 27379.92619 24917.55713 23452.7124 21804.69842 25078.93066 28168.66677 38377.9849 14675.68859 43549.9656 35624.41876 23163.60184 16331.91274 20222.5304 20299.53751 15925.36152 25279.04293 28769.2452 20098.16177 18665.43128 Triacetin 53385.98153 67665.42583 30963.72463 54053.28178 53437.80738 72746.4209 61801.5039 63496.55822 49827.02461 35233.82413 40914.53814 40421.44748 48775.78609 54805.6325 13273.53287 11633.472 9578.305185 11135.66576 154623.6782 139692.1854 45689.92166 45094.99116 41670.22511 74959.55753 104953.0731 32075.31024 36421.53221 21070.15153 12212.49111 13907.47438 13206.72745 12079.19083 31664.48355 10692.9172 11612.36243 16413.7058 65309.16707 74430.77798 71715.24349 55828.79892 74242.05541 50892.82119 82938.13929 51049.14068 31111.70586 99273.33687 108976.0275 147329.7916 103158.0335 173791.2297 19234.97401 116675.1951 87713.12724 100732.5301 Chloramphenicol alcohol 26129.53624 40603.35431 30231.1402 32717.60696 36426.31102 27841.44207 34511.4927 18574.1355 14926.86638 204226.2625 203240.8809 105182.3301 225118.8142 122546.761 91374.21293 76900.15747 85981.63219 189407.0546 21116.90634 24261.70301 18258.24355 17654.29484 37148.30769 42808.88037 30394.53092 48760.40155 52212.78944 106724.4984 139066.5007 189179.9821 115140.2709 252223.6076 114130.9208 163658.9505 52953.49177 96202.86945 33482.47535 14165.98949 22294.98325 21349.77348 18233.96291 26956.67107 36337.54326 56221.06523 27835.54637 60803.23181 37032.67153 20669.44792 22524.27084 40956.73887 197903.9784 21560.69286 201135.2648 51579.49119 3-Dehydroquinic acid 47.37310133 1574.008531 68.90182838 4.07813e-08 35.86225331 35.44446369 31.50335951 16.63285231 4.07813e-08 7527.144804 8583.594412 3682.142248 11056.69934 3517.071506 2499.600786 2767.389364 9888.497745 7073.082474 4.07813e-08 4.07813e-08 29.54390161 4.07813e-08 4.07813e-08 25.13328876 4.07813e-08 4.07813e-08 28.72101287 3553.721933 2832.231199 9879.086921 4555.397247 4539.070706 3721.487532 5607.299209 4876.256223 16927.19501 68.50168988 14.52220826 43.12382061 4.07813e-08 52.99986986 4.07813e-08 25.10440637 27.75103254 4.07813e-08 4.07813e-08 129.8889695 4.07813e-08 29.87538489 328.3675906 6844.547289 4.07813e-08 8357.580537 1401.802698 2-Isopropyl-3-oxosuccinate 4.07813e-08 112.2394237 89.78761346 111.0072556 4.07813e-08 4.409923569 74.4068648 7.535315097 4.07813e-08 1120.832927 8870.813353 1059.20864 498.5087624 406.0195135 5687.189815 15017.85971 15975.84595 307.3744205 242.1156353 4.07813e-08 4.07813e-08 462.3563132 4.07813e-08 4.133957967 5.723751405 383.0117913 448.4162971 12452.42009 3167.924622 11172.71353 4025.766781 17419.92959 8580.24329 3022.430027 9130.945571 6363.832732 4.07813e-08 84.59174953 144.7075382 4.07813e-08 124.2828321 283.4822259 4.07813e-08 845.3629741 168.4703069 4.07813e-08 78.36790129 4.07813e-08 4.07813e-08 4.07813e-08 2553.846021 78.24278129 6615.569961 456.5727125 Ammonium benzoate 4451.584427 4980.641568 3008.403764 4083.842221 3033.812964 2859.241386 5145.882157 5891.533024 3735.444585 871.1469255 1257.805889 466.3401155 886.5828544 372.7294417 682.577076 967.2948121 456.6587223 864.5663543 6641.362196 6287.297983 8149.905523 4424.131613 2135.143579 3514.570749 4588.874804 6854.446212 3658.695299 787.6708588 995.8966943 822.0402979 499.4470999 1406.474849 877.6289584 1759.800237 455.2385855 574.5741307 4888.930916 4715.792444 6354.692697 4082.643533 2605.149082 3669.178965 2740.671083 4869.925073 8510.465763 4658.720716 2711.794143 1366.20895 5452.296944 4201.239098 816.5297366 3974.548775 1391.151362 2418.958966 4-Oxocyclohexanecarboxylate 30908.01246 19003.0761 25480.8944 17164.04052 18765.5242 24918.18373 25704.1809 21106.98661 19007.2168 1986.890431 1956.255559 1736.99513 2531.648014 2407.859806 1675.3604 2952.636023 1803.995648 2261.244698 20489.63334 18425.28687 19765.93685 14430.42503 17147.53934 18089.76293 18950.11941 18139.44192 17905.04488 1417.454935 2504.477073 2360.265334 2102.247913 1368.710226 2072.095 1852.341875 2346.737366 2594.455947 17217.97058 19666.5958 21059.40115 14682.18105 11776.10083 19577.30948 18405.12096 24104.93682 14463.76455 14914.76265 12356.02774 17301.98533 16712.0681 17389.04619 2570.557137 17053.1555 2078.051286 24649.67565 5-Ureido-4-imidazole carboxylate 58570.33264 67988.91613 72100.97958 36175.44986 71360.46223 39877.52283 33339.97514 193476.9604 125884.0846 2537.845653 1640.341354 18831.84481 2940.732035 1421.865096 2355.380015 1918.080117 3206.71867 2603.197399 30744.56907 33794.16056 14868.95798 11904.12423 27949.4459 41308.51609 38972.45475 5504.586113 44295.64375 3552.668744 3277.083428 3480.703389 3970.916301 3622.683709 1503.016577 2506.117808 3549.479211 2868.003817 20565.22055 34542.28265 43524.79416 66894.18901 70463.27992 45153.87324 86152.25721 18416.45196 9992.886428 215190.1965 31991.77963 190034.319 108702.321 147529.1444 3128.462101 167993.4387 7991.03809 77198.04889 Arginyl-Serine 39.4919472 13.86400467 120.8452034 2.896306917 6.972222712 3.467907818 33.32271683 4.308926251 0.112927966 8745.018764 9416.952334 6804.581835 8456.273332 6685.658855 2887.810545 3739.814106 1054.828539 793.0080238 668.0610079 731.9855363 833.7273872 730.2888516 916.6475348 845.5459955 627.7841151 1093.651604 1013.585584 2794.028382 4056.540961 9705.432071 243.1740301 1891.204074 5625.157179 13382.02208 967.9770651 3333.453806 1009.673218 860.1978122 898.8889434 878.863522 1023.038025 154.0083757 368.3716843 1482.597085 1793.64547 220.9941488 311.9636443 357.1684324 23.52150846 18.44058129 2773.413303 601.575074 6815.67719 273.7158121 4-Hydroxymethyl-3-methoxyphenoxyacetic acid 4480.439 4154.152085 4419.944814 4757.484516 5295.793723 4207.639164 4982.38904 3431.508265 3833.940789 3589.739712 3409.549705 2794.797761 3719.555985 2465.662175 2885.101562 1557.198808 1644.214864 2570.55031 5021.945903 4947.491632 4533.583698 4502.263148 5142.375949 5169.702867 5431.197434 5788.479806 6098.771059 2329.66737 2664.408475 2476.492332 1557.26114 3502.521073 3098.264725 2876.848209 1939.909016 2040.269179 4086.555617 4835.857481 4448.294788 4914.92874 4395.025784 5538.916261 4491.297883 6334.195433 6226.763564 5315.437641 4611.969362 3792.172161 3874.059674 4088.028233 2952.377519 3793.362452 2248.342052 4484.102487 3,4,5-trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 170.7180039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 705.8777435 4.07813e-08 0.025579391 4.07813e-08 4.07813e-08 1989.734944 21890.75941 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21935.28714 4.07813e-08 3029.819331 4.07813e-08 27721.51574 6745.938674 4.07813e-08 18653.07679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.40117609 7.105577983 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 816.9728317 4.07813e-08 Thiamine aldehyde 12628.88535 23089.08694 23072.63409 39110.23256 63956.58409 21165.89639 10772.365 5669.879551 8182.349645 7784.787618 16313.30197 22586.00881 7627.867696 20471.79661 4162.846639 16728.47601 3253.401711 4908.734138 9576.165465 10125.75753 7948.437101 7830.348643 9155.665127 10251.20524 8496.710305 10863.84086 10063.41546 1594.906632 3922.210167 14029.15527 3357.331321 5280.622119 11574.88849 5101.77557 6179.147682 6626.663804 6787.078006 6273.88288 4547.526882 8724.351345 7513.548399 8075.78203 10010.78849 10615.57533 15560.75246 20186.64813 14884.91916 7653.527594 5717.671191 9118.51846 7238.28347 6058.246955 7708.436257 7504.388768 Ammodendrine 334.0030071 771.0215402 2994.463377 404.3467603 1007.318533 2357.520985 636.0787415 1649.499138 1035.260629 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1106.803081 921.0770664 2689.335212 1942.25946 2248.966832 1774.840604 2072.871363 467.9357372 955.3169207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 440.2450801 102.7438073 1821.160524 1716.610219 1583.645863 3328.574765 2512.121655 452.8451589 1661.020461 3310.278284 2393.851876 2035.341275 1848.679665 846.929277 4.07813e-08 2495.816776 4.07813e-08 1951.953572 9,10-dihydroxy-Octadecanedioic acid 20518.64492 22744.9256 28505.16306 21877.11739 20528.45678 25684.45255 18089.8553 25767.74435 24001.53216 15166.85231 18302.82805 15419.69701 13338.61222 20041.63633 14358.52154 27116.30664 34238.68284 19050.19049 25208.92947 22350.93491 22285.27626 20537.47273 23281.70593 25165.45506 25110.08226 24559.65327 23931.58477 12398.42569 15051.1082 25618.91472 17570.36806 15456.96472 17411.29818 14004.7948 21876.79032 22585.33743 17861.87575 18001.64048 20659.00663 20997.93014 25155.32632 26708.82569 27430.03966 22050.58867 25667.62882 32868.13595 24791.95006 19807.418 22085.03296 19560.08354 15452.73619 26549.58793 20800.93425 23329.41601 PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4.07813e-08 12119.6931 316585.1166 6417.314784 33353.51245 523232.1798 44079.37213 27432.81051 21799.42753 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 542.6694595 4.07813e-08 102.4273559 4.07813e-08 4.07813e-08 263016.152 133230.3795 691343.1847 326215.5361 670206.3635 607845.7187 192271.2196 11608.83197 91342.40206 270.8738873 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.908680446 4.07813e-08 4.07813e-08 4.07813e-08 16050.22509 20533.96121 416852.384 655665.4135 119892.9045 576580.0365 421818.1893 6031.365242 211058.6469 1162866.438 499886.1727 414371.01 58053.88524 44641.28137 4.07813e-08 431699.7347 31.09272352 126261.8955 (-)-Nopol 18163.51845 17352.62307 17018.93288 17421.26749 17105.28663 14354.74764 14654.49553 16186.34818 16074.53215 11046.53148 10088.56919 9736.433255 10844.05763 10893.87876 9299.970508 14376.84696 9104.001058 12182.12374 11136.10539 12041.82523 11786.66479 11792.27614 11039.23558 10963.51359 13027.28105 14023.15355 13243.92533 10113.90044 11851.79598 12817.70163 12672.54016 10791.42649 10919.91557 9681.397972 11522.1428 12967.58296 14012.72014 11572.97799 12580.87984 11273.33436 10768.32522 11548.89218 11732.97602 14792.11435 13290.72207 13643.32027 13046.67165 12660.35854 13266.91712 12504.21554 9705.492118 13503.74277 13301.7507 15206.87008 3b-Allotetrahydrocortisol 5425.98423 4402.91193 4420.799622 8625.921033 3542.961947 8593.837667 8294.812753 10878.10965 4876.283519 5873.510493 3688.468618 2332.108524 5039.136989 3311.905263 2198.773488 1509.656577 2761.506798 2919.371702 4857.252622 4750.209569 2868.778251 6434.253971 5427.315497 12662.98161 4519.494351 3037.880765 2721.461064 738.2538038 1788.015631 2167.105776 1301.163137 2020.129879 1431.900252 525.0447601 1174.311358 1295.081453 3306.784443 3603.407267 2737.480786 5117.826934 8656.030611 3202.438219 9626.703591 2668.811105 8075.654179 3740.680433 1722.122765 2127.171006 1542.159904 1186.941905 1667.840674 2718.741178 4203.748126 3081.28475 5Z-Dodecenoic acid 54249.7248 54521.99404 53063.83701 53572.44954 50182.29091 44128.66226 46079.73641 48090.1769 48503.56933 39814.98772 39019.36536 33010.44696 39276.96961 37332.05035 29878.85752 51528.73343 35436.26295 38598.57925 35713.76891 37035.60885 35016.13107 36296.29611 32949.8389 35886.19196 39428.57253 46185.62029 41327.45952 32241.89012 38723.69678 46588.49551 40913.96765 37389.52073 39717.02853 31168.46311 43515.05698 42903.07272 42624.9069 37285.08233 38683.21736 33420.16957 32159.9664 34041.12504 37005.92633 46869.17507 39133.45097 40983.21066 38853.39811 38446.94663 39199.93738 40384.78435 30571.97658 40895.14644 44420.83358 47878.26915 1-Nitronaphthalene-7,8-oxide 18847.1164 18014.14031 18886.8752 21227.83637 17921.3783 16208.81831 20853.37849 17791.8889 17922.24536 12456.03607 12429.05066 12034.29872 13703.35287 12762.9702 11246.99013 15720.18435 10438.36272 12743.2217 12569.55911 13197.09882 12962.15487 14373.18879 14450.8349 13035.20783 13130.18123 15435.82676 14138.14275 11430.92671 14325.12199 16016.09877 15765.19222 13747.9078 12221.44517 11291.48506 13920.26048 13496.91658 15365.35344 13383.23702 15763.88976 14465.00869 12467.37658 15835.02144 12732.1616 16347.05482 15423.97965 16358.34791 14197.01102 16191.3628 14908.50723 14882.55587 10051.17187 13327.56712 15051.41065 17560.25341 3-hydroxyhexadecanoyl carnitine 21680.72462 20950.60914 18155.71208 20379.00855 22508.6399 17125.08125 19574.51383 16780.69646 20100.49714 15485.33606 12272.91323 17532.77485 15702.10309 17950.14546 12737.6696 17891.68213 13518.65619 20514.24182 13992.05428 16573.15441 16581.18576 14504.32668 14008.23752 14758.03943 14871.37902 15905.85778 15055.84109 12045.64212 15414.10104 17992.27061 18075.79599 15714.65429 15993.02804 11534.9203 15147.57357 18212.95364 17707.86141 15437.21901 15326.64474 15545.88919 12887.96012 13769.58745 13390.16218 17477.31537 14883.01901 16919.61392 18055.86196 15401.26884 13833.11706 14168.16027 11264.14202 14999.2429 19842.15541 19713.85794 Norfloxacin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 157.357829 4.07813e-08 4.07813e-08 4.07813e-08 43308.58727 50349.25446 9661.400079 18214.20486 50391.74351 103.7019088 151981.4964 11733.7306 7258.741355 4.07813e-08 4.07813e-08 670.1020659 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1109.860029 13786.57041 4054.80405 294.622836 4.07813e-08 4.07813e-08 15350.74274 22411.1683 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30280.11123 4.07813e-08 Thiobenzamide S-oxide 731248.2183 724269.8924 691782.0669 695566.3874 672295.5943 570113.1313 596388.213 631596.6583 662686.0666 465486.0866 440140.9627 419213.718 440466.5884 454384.489 376242.6625 540618.754 420562.2059 497887.7921 472383.0294 479813.8994 448592.0977 456135.4872 439345.4369 447306.3469 516485.5958 584999.3336 545466.9154 409457.5564 480041.4267 512266.7136 510430.7783 448795.3458 459787.5475 411927.2049 502298.9708 540479.448 554658.272 467767.5486 489049.9609 438307.8072 421697.8159 472591.638 490937.923 600554.7306 533500.968 547107.7282 512426.2009 493809.8597 528593.4167 524375.7295 410619.1988 544692.8764 548974.7614 637503.7269 (+/-)-2,4,8-Trimethyl-7-nonen-2-ol 921.5157117 1053.876942 1284.090138 1087.685576 1408.996911 862.972334 709.4861521 929.8603624 706.5025008 558.5421699 633.8923753 906.1154796 401.1358725 674.7698013 471.0451482 1160.674888 400.2955529 679.32453 542.3758711 659.4723778 471.2284759 815.2306573 498.1375208 590.1186211 461.04468 1048.998804 592.6342396 314.3803317 772.1998711 648.2519137 609.1829145 523.6819895 634.4942654 520.7651179 847.102536 1010.306191 1097.864721 585.0278902 870.8330119 462.1091551 743.9819989 966.0339723 678.4524319 1298.546002 1112.713578 855.618538 570.8121772 525.6826327 1162.926796 858.4884182 443.8360458 534.4475883 718.9296353 905.5127351 2-Methyl-4-propyloxazole 8118.390497 8872.68694 3610.859427 5439.817086 2982.558023 3111.295318 8202.003317 12637.58732 16771.59614 2636.97626 2778.964041 4497.503417 2045.01482 1622.708597 4636.779824 3736.637373 2894.328178 2659.612844 850.1250546 1055.505102 1377.617164 620.0125724 492.7407809 981.5497269 1192.563351 1292.83781 1027.631199 6038.284885 3179.171426 1370.76308 4941.509523 1567.187203 2438.09119 3745.375629 6410.033535 2301.649939 2466.413549 1892.33777 2157.68973 1503.194104 956.0786946 590.0981171 1265.587812 1549.641136 803.3403528 1387.307474 4024.830092 2380.191256 4452.648766 5431.262158 1728.88813 3548.483761 2419.892214 2574.265925 3,4-Methyleneadipic acid 3436.356743 2908.682791 3072.832002 3678.717312 2961.046674 3315.344353 2806.22376 4140.465313 3564.045022 1831.652882 2208.563505 1901.286956 1933.873774 2873.338593 1594.05715 2267.957626 1509.73955 1961.262695 2906.63535 2877.593181 2718.48352 2132.481858 2990.418377 2632.920186 2917.354248 3360.698966 3164.511768 1382.190314 1650.214349 2821.113429 1338.679722 1802.502955 2077.305064 1776.80384 1891.73681 1771.879875 3004.360464 2533.32806 2886.875308 2725.186958 2442.537928 2631.692165 2617.074036 2903.427174 2274.138821 3023.083583 2498.476882 3066.842797 3220.770645 2627.883808 1499.978884 3535.110099 2064.785025 3803.502301 Ethyl-imidazole carboxylate 3.362460821 4.07813e-08 43.04224184 4.07813e-08 4.07813e-08 4.07813e-08 507.6353667 4.07813e-08 4.07813e-08 0.008807778 4.07813e-08 4.07813e-08 4.07813e-08 1.721759922 4.07813e-08 4.10821347 1.433024328 4.07813e-08 5842.321856 9486.010522 1450.15918 5202.225449 8619.932405 10672.02702 7518.128839 8613.325517 9798.555345 3.758703543 4.07813e-08 1.757421395 4.07813e-08 4.07813e-08 4.07813e-08 1.577805866 4.158938906 1.728165636 3638.169723 4288.176552 1698.019059 4059.33779 6516.564403 7650.477804 8770.639136 9588.420119 6944.9853 6366.579911 5656.667015 5261.313352 2710.619359 1829.304266 4.07813e-08 3509.114311 4.07813e-08 7097.273671 1-(3-Methyl-2-butenoyl)-6-apiosylglucose 4.07813e-08 1820.870129 4.07813e-08 4.07813e-08 4.07813e-08 113.2778039 244.9111216 155.3510951 4.07813e-08 28211.76637 24997.34983 16541.62668 32346.66932 21798.65607 14868.87065 14611.21623 48527.72397 25252.10075 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20512.75126 22292.15727 27575.61362 15630.34195 29813.40397 16169.9982 16298.47521 12867.19662 32585.82384 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1419.201111 23846.10921 233.0916585 23693.91067 147.1438378 L-Aspartate-semialdehyde 13296.70947 12497.17627 12609.60656 12630.22805 12565.88524 10116.28531 10735.09112 12839.91245 13901.19981 8072.310951 8262.06174 7841.49894 7577.046879 8694.578192 6529.064989 10642.11745 8802.714119 8622.457745 8294.383838 9243.294802 8327.720612 8307.917443 7621.03135 8235.643014 10311.80051 10262.11833 10165.8485 7557.709966 8695.592543 9205.96535 9130.375411 7894.12203 8967.479215 7916.449819 9230.404554 9716.699693 9960.808126 8321.684061 8430.384219 7536.874653 8479.66127 8984.206044 9344.708476 10207.53775 9590.823036 10052.5153 8824.553308 8800.385045 10494.84108 10570.38189 7622.13731 9977.189132 10420.71096 11314.2416 Istamycin AO 32637.83571 74621.19682 15217.52899 42512.15829 19257.70908 54373.67689 30196.17455 29376.32722 71907.19706 21801.35708 35331.7153 17467.42817 44655.11962 46651.82169 6951.716286 2744.936529 8689.60831 4585.053823 5742.623932 9053.917902 19417.10027 6225.52819 7746.24623 4407.831604 7532.863748 8804.239219 10826.07093 19955.11908 4752.454403 3099.388436 5045.65983 7603.995254 33252.84257 5695.975613 3348.398859 3369.342101 9980.292279 9841.86535 17020.95447 13429.3183 5979.066427 6481.186567 2935.300412 6573.289726 7527.600107 17571.8469 108147.3462 41090.60301 82568.29507 338944.8236 7083.860351 31978.25123 97568.75813 59668.71534 Clarycet 2777.6617 2991.326919 3101.669305 2090.236399 2915.615059 2357.760135 2264.116829 2813.846877 3003.724737 1762.242335 1516.243878 1717.691477 1478.512098 1676.120969 1501.046373 2329.429686 1980.404417 2127.364973 5063.943024 3662.999457 3453.219085 3905.329573 4239.258409 4998.336444 4566.46336 5414.51432 5182.39859 1134.024808 1873.855733 1957.551859 2031.078834 1657.764647 1975.717429 1570.329396 2040.324224 2147.174714 3331.891239 2941.960111 2980.793168 4053.600602 4568.64145 4524.507454 4433.939943 6249.9084 5004.263444 4277.734853 3354.298025 3520.925975 3060.053188 2280.344028 1576.151028 3766.988747 2072.649269 3350.188132 trans-9-palmitoleic acid 310816.7564 295404.3303 275346.163 271589.4727 257185.6457 209197.8434 214648.1606 297835.8513 297955.3571 179469.8794 176273.5422 161765.7926 161056.9119 165503.0015 130847.1473 255647.5715 183503.5494 206243.7992 187801.7278 190733.1651 173246.5663 168805.1337 152538.7635 156277.656 235496.6824 250608.6373 222807.5166 150345.1351 181757.3062 183113.7553 180212.6033 153571.0741 204618.7769 173208.23 211365.0696 215525.0353 212537.9865 175028.0246 176562.37 152705.1664 191704.9865 202186.0731 213753.4785 239590.708 217030.1284 203934.0125 187456.4412 175412.6687 243634.2741 226728.7214 165877.4694 222998.8337 223280.1611 250153.8604 p-Nitroglutethimide 3282.913466 3744.858579 2401.471926 6253.838401 5046.944637 1867.965897 4076.02344 1342.585629 1610.166226 3968.225073 7157.768286 11049.42152 3808.756846 8654.247746 6805.472539 6202.734305 1937.047872 3541.78807 5250.637931 6972.083177 6546.889151 3258.272745 9395.661712 2739.718018 2296.522228 10644.37427 3462.799395 6423.416204 7716.528318 12730.92819 5851.008249 12906.76659 13377.61653 9545.624842 5760.435851 7254.047524 6096.211588 3587.213037 5282.973461 4033.735184 2684.074582 9650.775564 2982.918058 14024.20434 10343.9286 3293.100591 4622.441843 3818.650661 5786.44612 9044.301826 10050.08219 5340.762873 13329.89429 8927.958116 Haplopine 6608.825138 5905.399314 9065.758363 11990.40234 13535.08234 7783.183036 7926.207589 4142.131133 4253.147556 2118.804656 3074.507811 5183.81584 2290.232963 4462.963666 2262.863489 2920.944113 1563.635623 2107.798128 10256.29022 10529.12489 10052.77418 9906.541935 12718.85025 10624.03241 10934.77224 12240.79419 13127.03699 1943.236028 2728.446939 4271.784236 2328.490748 4459.222518 4867.138533 4099.798413 2849.008776 3315.99159 7837.775708 8954.656221 8412.622578 9776.618947 9045.313216 12363.37345 9655.074284 11710.96743 12417.59034 10439.07119 9157.834423 9480.312212 9734.24743 9155.180972 3875.414899 9553.897295 4817.746176 11554.42 PC(7:0/0:0) 20266.97173 35732.64279 12797.89837 25873.67892 18012.93668 23080.32905 21516.17512 38686.14507 42433.68336 25703.78923 35400.3805 16366.48572 67948.66257 20282.78264 13346.3719 10295.12064 15128.53433 16698.93123 11519.62026 9721.15136 20557.03159 9426.513256 14937.25579 13811.50073 15198.52749 12011.5859 14763.11304 19911.58062 17290.24065 17662.12308 12778.58629 24109.85521 23447.12964 12167.39903 12766.97369 12983.38728 14343.19543 12796.04275 23083.25915 17631.73894 12797.00387 13253.68742 12296.95302 11518.38677 14835.5846 17840.69047 23393.53608 16986.58403 33121.32983 99962.90889 19569.36163 16676.06931 244829.8881 62206.26127 6-Methyl-2-methylene-6-octene-1,3,8-triol 1442.580422 1204.960296 1541.038271 1758.981367 1194.309434 688.0212264 384.1858717 1176.114475 621.1555741 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.19976606 4.07813e-08 2247.492642 934.6082317 1640.615437 2607.508184 1058.418988 476.6106932 468.8162637 2183.43875 1672.020122 4.07813e-08 4.07813e-08 4.07813e-08 6.164865978 58.68706557 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1154.77768 1465.931267 1390.738875 2039.111692 2406.359686 1912.264148 529.7467257 2253.614835 4720.20031 499.8484116 617.5313869 1784.272993 903.3634593 1223.911437 4.07813e-08 1328.934038 4.07813e-08 467.8132157 6-methoxy-3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol 1188.843 868.2275968 1561.946021 1474.645995 2134.951056 1910.337101 2287.568847 1523.107294 506.710487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.35655874 58.27812415 4.07813e-08 4.07813e-08 4.07813e-08 2331.266343 2782.354979 1296.209374 1893.588919 3894.339746 4756.106436 2790.783861 2719.62128 3684.820023 1.749384574 4.07813e-08 4.07813e-08 4.07813e-08 85.73517743 68.03046399 4.07813e-08 4.07813e-08 36.22266376 1692.383685 2150.317943 1374.997577 1799.968782 2237.74575 3640.610544 4732.163634 2610.997468 2988.374946 3835.578328 1847.733975 1874.999588 1217.418972 747.593396 4.07813e-08 1586.062603 4.07813e-08 2782.824869 Heliotrine 10255.21527 15146.88359 7903.32716 9208.753835 8334.464208 6034.406586 4863.131192 5966.346862 5541.890532 11852.62166 10177.41116 10775.09883 13447.54905 12981.11647 17655.48934 8142.847933 9777.378031 6539.92203 15065.49511 3135.651042 21915.33738 8594.805189 2119.940804 1424.777316 3424.176119 7166.05036 1800.62685 7892.842833 9130.60831 12973.476 7851.788171 14823.64615 11931.0999 10058.3414 8409.294676 9375.718759 13023.1308 7316.957229 17303.50744 10351.10864 4674.614805 4792.3658 1041.344936 7092.38436 7402.551342 1840.480177 1963.058923 7170.467308 11464.38381 15390.16296 11491.25536 9451.719017 10363.98092 2556.649499 2,4,6-Trimethylacetophenone imine 1864.478938 441.9778075 2610.679155 2476.565817 1188.995334 791.3723826 1978.007376 1142.642947 498.4061856 246.9323116 150.5156934 4.07813e-08 96.23672554 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4871.315636 5820.010533 5057.273173 3404.149011 4017.524826 3425.765681 4321.800624 9070.205317 5903.047198 32.75892838 41.24540963 184.3253951 31.69030829 4.07813e-08 4.07813e-08 1378.087772 183.0109296 140.2715797 5162.377395 3384.945164 2293.657122 10611.45654 2537.662701 4472.275551 3829.491821 9916.80974 6975.311851 1648.492746 2756.907373 1045.744867 762.4926718 1189.349927 4.07813e-08 1062.192507 1044.852751 2181.458112 Shihunine 2527.317243 3608.567434 1792.488331 2954.354053 1282.681975 2480.570211 2980.26987 3910.776037 3604.696002 1810.742049 2572.495708 3267.393031 1565.825347 1505.639728 1872.231632 1820.798181 1785.132588 2276.207936 2860.160373 1544.604024 2833.90574 1469.295249 1731.418778 1370.482418 1572.550639 1401.696406 2316.38441 2248.833616 2146.873366 2559.86617 2270.908993 1964.738902 2247.74813 1783.950394 2574.288425 2132.085608 2645.780117 2459.928005 2524.398667 1392.985646 1479.413174 1515.505719 1168.720955 1496.184687 1619.090011 1688.51209 2939.911603 1706.57381 2214.715876 2134.204563 2149.456702 2464.362269 3585.077757 1980.878825 Acremoauxin A 11414.85863 5867.913165 19195.15739 16333.04798 23384.70598 15160.36256 19627.17071 5479.917611 5483.950185 1239.035954 764.9451856 1535.089173 998.4519474 2874.335119 262.9868882 4640.711608 971.0629802 130.7778241 10896.05743 45983.81792 6087.539091 17659.28353 55137.33139 54984.04974 54367.39383 11572.82033 56257.64809 1802.289637 1449.123729 2038.510925 520.838448 2030.778846 735.4773305 1157.984164 735.0143676 1081.702748 14365.60942 20007.73651 5949.031539 14861.41258 26995.08808 27826.40726 50761.15694 11520.61668 25615.77508 49975.94595 40273.63972 16443.53022 10658.14971 6953.115652 2126.020933 9635.189267 2193.756116 58967.3437 p-Hydroxyphenobarbital 12303.00226 6173.222825 10861.30999 8247.978049 10576.67837 8333.774192 8656.423538 7489.241589 7366.238457 943.8566047 637.7526164 633.8913756 759.8539919 682.4643229 710.697516 543.9198525 471.8021987 369.3564305 15818.52445 17280.62102 15846.40679 11466.86442 12485.13656 14584.97549 16843.36888 21493.3286 16014.12699 245.0377554 481.35523 949.5460203 753.4165241 1067.56458 893.0355889 963.0949977 519.4443245 760.7343019 7727.943598 11932.927 9305.804837 14114.9399 13037.29884 8091.225319 13833.55822 20633.823 27940.52227 9806.463825 10525.87533 10549.73538 6842.534044 6219.57897 633.7100185 8449.341339 804.2320667 8869.199861 Prunin 2659.211637 2243.476182 1054.284364 1064.595036 1676.464873 1949.957979 906.1660202 1231.825059 424.9552927 7439.851315 7914.134318 12314.14812 8581.541803 16137.54655 8381.007412 9170.970672 7190.853163 11791.2473 190.6668151 584.2286678 772.6820227 1886.064774 1000.69867 878.0436089 1467.848703 527.8769406 885.9983175 15505.92085 17681.1325 13055.32286 12535.69055 27616.03708 21102.0662 21081.03261 11747.86793 11143.91 1658.789403 456.0153404 1540.97272 860.2281195 753.9016863 838.2444843 146.0759462 1660.01771 770.8186352 1311.710858 998.9333733 1008.584188 1122.931692 1520.181535 26394.70531 443.9870202 15494.6574 1907.028576 N-Feruloylglycine 20280.1748 20610.06741 19546.58677 21930.35099 34908.44052 17066.98155 32138.5433 30121.60281 30468.99113 5277.115254 5790.664199 6416.466172 5328.244276 5754.330651 3474.558785 4497.511536 5130.754679 4634.764063 3876.889667 6070.237073 6386.831368 6134.615753 4496.939636 3912.906099 6447.965047 2622.479927 6676.602462 4076.067253 5227.623244 8279.266095 4323.208211 8132.895657 8028.458463 5425.934012 3798.942365 5002.592814 16096.72216 4773.389165 6780.285486 4396.916354 6785.815576 5082.271932 3244.251078 4161.160151 6971.403918 3723.708567 7028.815419 6741.894859 9953.801574 12907.7718 6648.55466 10508.65299 6154.49935 9466.764489 Genomorphine 58259.64742 39719.57374 48481.6862 45503.45089 61437.51271 51917.09213 51838.62095 51164.86054 44483.7584 4333.540144 3430.067373 4119.118095 3496.397098 5362.909814 3352.879937 1837.122816 4505.803887 3068.760637 90916.71832 88043.39423 59390.6559 83618.42006 94218.89394 77901.71436 96323.15423 99853.73174 88617.10201 3737.876116 3508.217311 3845.783262 4519.801822 3916.38645 3428.823167 3088.095167 2520.179776 3647.629797 60246.40722 65083.2585 46001.84422 65644.5267 89489.59572 103398.8183 77103.10955 88303.03198 119902.315 60923.97525 48020.03255 52729.6999 52212.2151 41859.6427 3762.294336 47466.36949 2188.998381 54330.74624 (2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid 6022.59127 4979.695027 4725.983298 5670.77552 8114.549676 5821.702952 9626.42102 6098.348309 3940.491812 619.828788 1034.600427 891.0761658 613.971141 1208.866747 703.2719101 1296.324484 968.7196753 1374.405534 4935.803483 9126.061537 3742.696057 4640.795343 15473.49602 14588.06557 10366.68978 6710.023381 10688.74693 577.8076282 860.7061444 2176.07649 853.8652759 1417.386262 1428.847906 914.7542704 1135.806276 1254.556342 6929.042794 6967.459967 3707.191035 5699.343567 6007.51034 9212.521629 13963.33581 6415.716757 8589.761824 8851.228239 7003.132992 5887.06045 3981.287391 3134.54236 1038.536138 4346.499577 954.8633204 11369.38343 Flazine methyl ether 3228.214198 911.2821301 1138.606028 223.2034786 4.07813e-08 7335.608518 11254.55237 13909.774 3976.685456 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3910.49192 3337.97491 2556.340998 7018.00963 20061.41197 4172.946428 5536.943093 2088.605554 6451.576995 4.07813e-08 4.07813e-08 50.51973737 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5071.022655 3066.313167 3533.667893 10719.16878 8314.090249 10949.35744 5732.522625 1489.965464 5758.736614 2041.254446 1893.534287 3383.455881 4369.063043 5249.896423 4.07813e-08 5880.998517 4.07813e-08 3015.487386 N-Acetyltranexamic acid 8129.55717 4040.916781 3611.594799 2805.170052 3084.856006 2683.738393 3162.045668 3178.92296 3436.903835 4.07813e-08 123.211267 144.3514906 217.235311 4.07813e-08 340.2002685 143.3526801 364.3709663 4.07813e-08 2673.972021 3410.692114 2544.53886 1310.77139 2027.811274 3208.376546 2043.283763 2568.985594 2620.648616 426.4017877 4.07813e-08 211.2831978 394.8595787 89.39566712 459.9159995 358.7593468 125.4068733 163.5843707 1651.179465 3590.167816 2443.661673 2658.941923 4772.858611 2212.334372 4012.198431 3523.496609 1470.028366 3622.057187 2425.12094 2044.786675 2034.611194 1342.601712 4.07813e-08 2619.936666 4.07813e-08 2611.593066 Lupinine 3781.578569 4339.629994 4487.891148 3520.450871 3599.257583 1499.334771 2629.899433 7463.227961 1768.163583 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 260.8734375 778.9565759 3415.860793 741.3591457 630.8299841 1841.612428 6637.539807 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3155.416231 863.7726632 3624.852013 4188.937501 374.4117237 465.4714583 2422.946568 49.01718735 4.07813e-08 280.1594437 223.629169 2405.173799 3840.240095 2396.305786 4.07813e-08 2151.21798 4.07813e-08 1426.276104 2-Amino-2-Norbornanecarboxylic acid 1177.066693 2695.035706 660.5198585 1139.5064 783.5807425 1408.584597 1322.354607 2044.098465 2283.493481 411.5419224 580.1382021 501.5355312 420.2014816 587.2025584 143.7882598 180.9968814 185.2162673 180.0061932 121.7280732 155.8543729 591.8657014 72.57106221 266.0798402 287.1948719 397.4809554 401.7761271 321.9295263 236.9458609 50.58636216 133.7049286 212.2253529 213.4879908 100.0704482 49.88480793 425.0477596 104.2712241 323.6126983 472.969645 688.192964 497.4623639 138.7392361 94.34527406 219.4652307 211.7248985 188.1255349 451.9960977 2132.812921 851.6934808 1541.02651 4947.110329 155.0729433 463.8453367 1324.745682 961.2673046 L-Phenylalanine n-butyl ester 2148.398848 476.4139693 2524.216292 922.8758531 1385.329445 1649.344785 2627.100109 2438.965671 1803.487659 83.99346061 97.61578131 67.34429102 166.0059822 362.294836 73.20578301 708.7551528 528.4712581 298.7610806 4185.396716 5744.350849 1831.731387 3787.198284 6664.782632 9783.209022 6995.99481 5639.644463 8833.843186 239.0407668 131.89157 266.9259912 141.4899984 211.280902 677.4537264 92.80765739 323.4083615 538.9126528 3695.207709 3497.589379 1110.886356 3225.089721 4895.717917 4095.40375 8722.646562 6384.209861 6940.45689 5963.674898 4157.324394 3622.873534 1916.232403 1163.078724 312.4623125 2538.254928 210.7886338 6214.157691 N-(3-hydroxy-dodecanoyl)-homoserine lactone 1529.893978 1056.081186 2205.947013 1454.296167 2074.797916 2507.984327 2350.368445 2574.824507 3205.214383 40.74204306 4.07813e-08 109.05753 4.07813e-08 81.06378749 28.64298481 67.74373427 467.5828879 335.6535051 3606.885379 4121.553498 1322.961271 2999.564405 5277.688782 4722.728798 3187.850391 4249.601919 4413.669438 47.24788019 1854.813617 250.9833383 89.26491842 2659.793003 728.5994196 1702.753033 156.4953344 4.07813e-08 1586.575265 2337.83623 1414.622357 3051.543445 3281.16464 4075.089406 4706.353572 2190.280761 4326.678967 4110.504325 2901.942282 2812.143505 1203.050816 1182.823002 395.6982192 1361.232637 69.2082166 3283.041897 2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid 8490.750808 4832.22149 7045.579101 5760.846259 7403.519814 4711.025467 5129.148431 4663.871494 3874.736036 2134.009784 2683.591605 1820.573028 2301.391221 1821.082237 4234.195863 1703.927534 1786.751294 1344.991432 6948.463193 7000.531427 6735.241008 6896.679114 7346.495289 4637.614793 6428.631163 6717.622749 9680.627933 1260.104363 1325.272653 1649.352962 1610.487079 1656.220205 2077.669205 764.619897 1736.150594 1319.185828 4083.210167 5184.474041 4589.090751 6161.931308 6859.062324 7034.776704 4858.94534 6545.489893 13102.78183 6360.178841 4868.940157 5328.383867 4781.913543 3309.601852 1398.702196 5273.745036 1139.376601 4345.416254 Geranyl 3-methylbutanoate 10282.28791 6458.988264 9364.530678 7530.184343 8631.203656 9688.763223 9007.066509 10372.39244 11879.86598 697.7713468 265.2551442 1042.442685 832.3176368 717.7405057 1009.827956 872.1302539 178.4468116 1095.852084 12759.36336 12093.14558 9746.671364 7431.307031 14549.28813 17965.10043 10006.55203 10600.53293 14430.65875 1317.308291 1005.132614 1030.422583 810.8184123 474.7980669 788.4259217 921.449049 407.644306 631.1848515 6720.413533 12105.41221 9549.210979 12014.15507 12300.27393 10150.58519 18926.30085 11104.40627 12881.07824 11919.87566 7887.824275 8676.386552 6634.367712 5827.984311 848.2016648 7080.165044 444.8620761 8419.548136 3-Oxodecanoic acid glycerides 4842.906708 9944.782301 2718.000565 3727.679292 2526.591439 2351.444222 6731.992082 5669.627432 3273.455284 21951.75386 18729.12189 11582.24033 22084.18461 11122.48915 11770.22127 7829.953361 12853.06259 18139.06261 5758.836612 4466.699758 4719.75481 4263.241193 4996.644453 3472.731898 3953.164136 4536.096619 5473.007068 12049.85292 14273.98496 13199.97891 11051.54272 17065.98676 13361.10709 15669.36897 7588.373853 10200.93462 9173.17218 3294.196731 3372.030275 3889.70504 5457.489108 6850.338132 3900.56637 4101.184656 4120.068137 3946.592665 2688.210739 3305.8489 2474.7938 7641.862294 18644.38936 3165.168281 16983.89456 3627.921744 Leucodopachrome 2978.866325 3322.537074 2879.675972 2701.706238 2114.311144 1606.114938 2170.94729 2744.53745 1844.031382 4416.627302 6038.88796 2193.997307 4223.801684 3623.610425 2398.068863 2106.053098 2521.528356 2201.312575 2900.517817 2858.284501 3041.41059 3812.873215 2005.872858 1180.187396 3406.576859 6245.124103 1512.846188 1600.718708 2972.659299 3140.615932 1654.205816 2852.647269 1930.753245 2274.802974 2113.146565 2027.239949 4184.367484 2881.475 3220.361148 1393.453409 4717.856065 4118.560998 1864.550528 4855.840258 12700.28375 1288.196405 1828.649376 2035.411142 3281.843064 2562.108051 2078.830065 2324.058974 3736.165529 2274.285347 Vanillic acid 311.0966789 2145.413153 949.172809 794.1487978 1689.081935 636.3458134 1012.358766 597.3311581 599.0397183 21023.70265 11430.26066 11464.63952 20780.30387 8030.076917 3237.892218 7407.438558 8355.759342 10036.53319 177.1591335 187.4708151 318.9940774 869.5746053 202.9658104 139.2703988 610.1834543 669.7781755 251.2325807 1799.618434 10636.43883 12176.10613 6789.944579 6390.55258 9751.612762 24462.13241 4700.945859 9274.042493 1059.389946 286.7689575 420.3587451 209.1379624 186.6875871 303.5755682 171.4857591 208.7846904 561.9549584 405.7635495 694.4373654 351.2579996 791.3939374 393.4117469 14604.91637 438.4374909 8208.979678 673.0448391 Anisatin 402.6893653 250.4487212 221.8307855 187.4509339 145.5957122 212.1011329 170.9303917 103.4761092 4.07813e-08 21369.76695 93539.57969 30362.62416 13045.98574 69220.08709 10700.3294 45477.69577 14896.58732 41400.39555 240.9729785 746.3482356 1683.555308 409.5513585 556.623081 441.2009918 428.7920213 546.1720438 714.9425887 998.6806665 17829.54577 40023.21424 7267.826101 27521.99261 5891.172869 6674.175823 5225.514243 11136.24796 245.9206437 287.6518082 319.9194381 967.6873704 278.2207003 510.2565033 307.9270113 375.9934026 303.0747912 519.6567826 221.9959844 288.4832674 45.69451414 399.208925 6227.896258 620.6615221 23444.23759 263.7188283 CGP72383 966.8800627 3367.016246 84.67492969 208.8546927 66.54870161 253.5381474 684.0888961 908.2250392 1062.636288 5005.018147 6211.261028 12895.06521 1110.710864 1872.735482 6351.161351 5107.270791 6182.111269 4056.948053 260.5595727 884.8057597 488.815652 172.8283646 473.5203594 3.241232591 27.82831259 1035.176481 57.30635207 3595.297986 11597.51092 8221.083738 10060.8779 10116.29429 19846.06247 9917.890474 4491.232044 789.6602833 202.4660653 504.3566574 251.7090295 366.9665642 50.29307406 298.3653775 8.072654257 130.6276758 924.6322667 18.94795386 390.9417412 298.1389345 681.550602 738.3565383 12904.20929 161.7446946 2794.689862 339.3356858 deschlorobenzoyl Indomethacin 3255.086918 2108.12074 2445.588898 2369.326176 2596.118912 2417.159985 2676.477355 2871.614514 2352.876359 289.5340321 139.1950687 301.6811874 525.2412494 508.070073 2037.115133 753.3744186 1127.764378 480.9980937 2332.147686 3629.826186 1037.76784 1957.447307 2535.428705 3716.147578 3008.258458 2568.30508 3892.633663 913.5894434 659.6633221 182.8471388 1292.0673 781.8491331 939.8480617 1449.005334 2058.497222 555.6448481 1838.897614 2741.391645 1748.112986 2583.373844 2804.847493 2984.176293 3580.32406 2568.899377 2696.122781 3848.163099 2761.669383 2565.471078 2132.07126 1899.201927 404.5063138 2441.795154 703.7310164 2680.580588 Diphenylcarbazide 827.6694374 508.3159705 645.3471123 1049.389351 1422.438003 738.5564339 1072.793441 651.9104945 294.6121483 758.9595712 0.705920892 358.9438681 239.4900678 358.9256418 4.07813e-08 4.07813e-08 126.6568682 221.7213061 1437.308499 2814.911352 1737.435821 1680.010577 1190.692649 2018.884543 2225.526401 1978.498157 2327.022792 201.5664278 273.1067904 142.1738765 323.4373477 187.6132571 158.8151363 332.371791 73.63437764 470.0052599 1525.013631 2012.893632 1778.095241 1849.510434 2577.664368 2058.269899 1649.727884 2395.137937 2038.691785 2864.504252 1480.548322 1668.186888 962.5096206 705.029403 4.07813e-08 1150.963027 4.07813e-08 2176.119717 Deoxy-5-methylcytidylate 4.07813e-08 444.7022543 138.7748313 4.07813e-08 4.07813e-08 4.07813e-08 164.4464448 201.9569546 4.07813e-08 9349.13746 12912.64397 9113.417459 8979.777925 11460.05681 4474.939174 7981.961649 11214.34053 27479.61192 4.07813e-08 4.07813e-08 4.07813e-08 889.224876 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6281.343127 8881.393748 12380.06141 5339.873337 13524.67944 6538.861087 6769.974287 9868.546627 11004.83787 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 288.1220775 11328.69751 4.07813e-08 9231.527909 4.07813e-08 1-Stearoylglycerophosphoinositol 1510.449278 17529.69194 3753.449783 1321.336971 814.9647183 2865.953811 8414.689553 10280.92512 28961.61452 28507.57356 29674.56376 24437.20253 23995.39163 42179.2287 23867.60869 38324.14566 24509.95799 33925.97371 31.53976612 4.07813e-08 692.2637719 4.07813e-08 0.160594922 4.07813e-08 4.07813e-08 19.55623376 4.07813e-08 22157.14673 38916.88208 31428.98916 63533.99767 33320.16506 33149.14736 27511.01887 36224.38503 36350.04642 1029.811099 4.07813e-08 765.5488662 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.000339771 4.07813e-08 4.07813e-08 754.3936806 356.5161242 2897.865265 5838.368912 17871.16172 2506.117397 41652.77201 4798.930675 CAY10594 5622.505717 20193.0671 3252.790532 9116.015875 3581.063139 6231.263773 4856.594658 12410.43651 15146.3049 12978.8755 22168.74007 18983.73934 10553.51229 12893.53463 32437.3156 38765.30203 18911.31881 16548.99423 714.547056 1170.69821 2923.881764 781.9942392 1563.041062 1237.521847 1466.826277 1031.41407 1299.010222 9411.031782 16467.12754 15205.46591 16808.34191 11851.70828 21817.312 16256.8419 13961.78776 13180.36541 2089.19352 2807.453897 5688.038559 3829.397769 2500.568931 2343.172912 2660.230251 1420.836835 826.3001353 1494.786522 17364.90133 6939.180628 19989.99752 87402.85387 12291.10822 7142.551211 15965.61542 4837.449625 3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridine 856.6508575 655.9172451 912.7929599 1139.638869 2120.783698 1668.793848 937.341882 753.0706351 255.4552684 125.7453855 320.0794453 114.0638158 267.364608 12.69169984 95.37967944 23.5346856 4.381165318 141.0755277 2837.998591 2103.916014 2376.629659 2112.293174 2671.321324 2783.190377 2102.649178 2481.164864 1543.83376 460.0950528 300.6828375 224.1109589 893.6972741 473.7577903 84.78983175 368.9113457 43.74951026 230.4877058 2130.543441 1730.773963 1808.36419 1944.437722 2146.341226 1983.506542 2132.422405 2551.519291 2079.622881 4925.920862 2959.253141 2462.984959 2454.463076 1472.012251 264.1783038 1450.001714 583.7969024 2922.07934 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] 787.7420247 359.7458856 851.8268084 463.1677689 700.9643001 105.0972947 760.6206705 281.544646 662.2345434 28928.52877 22489.32084 22074.25239 23609.94331 31090.65617 26801.52569 34909.10038 65619.36202 16527.87346 1015.764517 452.0339847 138.0214977 729.9058268 766.4559766 358.9319088 626.4767484 1179.423538 373.7788109 30357.47508 17142.43507 23540.13432 16365.0358 29796.54687 16011.93627 19872.46137 39716.42566 28190.28 686.3307962 206.114107 553.3968336 866.4996531 1082.374756 124.9832106 903.9604442 519.5461168 1154.065257 1638.835148 1320.108697 344.1980858 624.6060408 344.715546 19054.49354 746.1902373 8097.988414 913.6752203 10-Hydroxydesmethylnortriptyline glucuronide 2874.021722 4172.806014 3381.022597 2805.022017 4276.568409 3151.524772 4933.347239 911.8384199 2350.890882 702.4233884 225.1558289 4.07813e-08 254.4013341 542.0558137 566.5980622 1513.054531 917.2724163 970.9917524 2978.173594 4182.60599 4457.998302 14474.63226 4810.075174 2301.020249 8173.73776 4074.515866 3410.406092 440.0757693 285.6616374 1586.315215 135.9017316 966.8865628 76.9058949 4.07813e-08 856.4476513 2232.100293 10956.48962 4552.904252 5154.716738 4132.637394 6351.495725 7028.959444 2727.436434 5778.541788 8005.384463 3423.305622 1301.928927 4480.365061 1412.239662 3951.682345 97.9859565 1217.394381 107.221891 4480.919952 Methyl 2-octynoate 24003.42985 22416.67035 24047.98218 20114.89012 25307.33445 19531.26958 18594.86903 21452.12916 16105.71734 11686.70998 13791.82997 13214.55614 13130.52452 16377.82302 11298.35345 19979.33193 11843.85892 13274.19114 12093.19466 16396.73728 12972.50568 14501.5649 15240.68801 12342.43564 18723.11894 18789.56511 14338.56386 12936.458 16081.72344 18694.82302 14784.63807 13969.79609 15494.50897 14254.45066 20013.06156 17725.17281 18933.29338 13704.02381 15460.04167 16270.95509 15879.14793 15316.38348 18858.56923 17212.16913 16889.55517 24936.12799 14464.78158 15045.13449 19164.18925 17780.12727 11903.82404 14242.04079 22758.63966 19267.68194 (2E,6E)-2,6-Nonadienal 9356.88932 4606.601653 9128.646417 6014.710765 10644.06105 21296.72577 41140.04667 5786.408568 21827.52915 2590.951207 2410.029466 2259.516392 2230.799383 2494.677521 2099.929478 3124.689308 2447.481869 2607.274788 4194.662597 3794.419018 4143.520716 6394.397742 4911.785518 4408.356991 4391.57349 3969.899022 3817.243615 2181.930003 2670.985711 2825.837831 2764.738075 2582.072686 2576.88926 2348.72555 2948.128641 2716.05986 10226.9108 7185.439631 9144.197085 4091.28403 5267.700933 4398.17939 5021.126894 4409.385246 3898.451563 4555.735343 5542.95103 9838.23719 15742.43054 5651.862569 3675.370242 5269.425608 7093.388358 17847.45426 2-decene-4,6,8-triyn-1-al 370.5546988 830.0692604 4.07813e-08 236.8378741 248.2947995 224.3858106 124.3214992 560.2261392 387.9507222 930.7117538 1814.007675 2103.516111 1131.688846 1293.449625 1277.472449 1643.828146 4629.8221 1615.395509 35.6938796 190.5873797 114.6520751 375.4563958 81.83906753 4.07813e-08 522.4298904 2310.48485 88.9543507 1220.984626 1762.409405 2364.611701 1594.109848 3105.667167 1932.590715 441.4684042 2849.921108 2328.867952 1026.221054 79.16199584 86.66344386 85.77684578 71.9522333 4.07813e-08 275.6902483 1424.291884 55.94462741 313.9692092 153.1425747 164.173336 336.8468038 418.6268442 2011.44668 72.61661672 1543.533862 360.6874316 Tryptophyl-Tryptophan 2333.379567 6042.307752 2491.359665 2925.328659 1689.047172 1050.777081 3733.093228 5184.540539 4622.282769 1370.598612 1417.098272 501.4224727 1735.089332 481.7172064 565.341984 455.5882039 1349.237502 1416.071291 1343.379509 1647.890534 2302.932249 877.134919 1454.762418 1115.630329 2098.847975 2122.533411 2018.464115 1277.469981 1836.039498 772.4437223 1776.508848 2983.279776 1768.121128 2352.556895 667.7877832 813.019724 4249.439197 2061.546005 1167.633277 2278.686235 418.4236838 1828.929831 846.2201325 1893.013525 1912.646199 1010.751599 2401.222935 679.6548025 3628.369197 7207.398606 1319.872328 1589.964423 963.2256627 588.2575631 (2S)-Liquiritigenin 1117.76362 1062.905712 972.7190123 1191.891892 1084.997015 872.5208082 489.9316138 1279.528492 1433.118369 2024.169693 2473.315003 2492.793047 2154.724069 1133.465216 599.9131176 683.7426702 613.0359915 2220.004471 595.2019729 427.1501477 1402.742809 767.1972101 953.6631509 531.5703231 1291.374153 826.0465257 903.4618144 951.1444314 1033.291374 1424.681535 1525.418578 923.6746012 837.0660686 829.970722 651.0345846 800.3472785 847.8566954 526.6290634 815.7961837 747.0055239 585.4506897 714.6329317 573.9594953 1257.516417 671.4823255 625.1793713 954.9044834 733.212381 878.6569074 696.3502703 541.7550843 712.3418087 2403.538784 537.1641489 Methyl (E)-2-dodecenoate 1419.109826 163.0298459 955.9100278 804.735674 502.5868973 1710.033711 4542.182513 964.7296408 788.1355706 45.29010776 54.43637628 142.556105 171.5628076 211.6382634 149.7293243 303.807161 99.77776125 35.29223885 189.5402722 130.2102593 284.7415334 958.931521 684.1486287 390.1541134 290.0085423 177.624356 276.479678 137.0272724 161.9076569 228.6215001 247.7867275 252.8072911 298.3058581 33.61239056 155.7879249 206.6173458 1509.602447 1033.700682 922.3642984 682.8671685 874.1237625 292.3458491 696.6886431 225.8780338 276.4146233 417.9099242 731.7896182 1370.827432 963.87213 747.8168637 8749.041177 469.2996603 5236.57844 2805.781684 PA(0:0/18:2(9Z,12Z)) 20034.35119 12591.08871 10256.58641 11150.87784 15253.0204 11580.38225 9672.072369 13515.86822 11175.94641 10368.65864 9010.423 3319.409639 8708.123405 2378.056947 5337.405484 1960.013518 3500.343716 7497.269185 21466.9236 20608.4506 16433.72398 22857.01494 12473.31297 10604.98763 13633.53213 17012.94747 15366.79687 5118.011837 4537.156345 3755.161007 4084.457798 4805.264058 4904.959964 6988.618278 2317.352747 1739.216852 20532.11387 19583.01648 15333.69143 12599.23498 17062.94312 16019.31454 7585.414559 14688.70247 13910.93467 2727.066882 7060.308187 12479.15991 12893.41611 12112.92134 5371.141834 9574.042442 5182.268266 9031.539591 beta-Zearalanol 2881.403005 5061.962804 2202.001462 2657.809412 4150.927393 4122.313979 3742.552001 3439.88072 4600.397122 1330.641974 787.0900571 1192.284374 1205.193349 538.8695147 1119.535229 380.8272812 16.8286082 1357.213959 3380.661426 5124.880917 4271.780756 3903.293686 4489.26208 4053.829798 4908.399337 2989.026995 5169.094939 650.3737656 1145.446025 865.5268295 408.6983402 1192.227189 627.77119 1058.654737 333.9800659 907.2760922 4705.614142 3654.202419 2635.800725 3495.007214 4226.371469 5237.439799 4762.334365 3745.691849 3713.796591 4973.248968 3680.060269 5179.636409 3679.886065 3825.776225 2067.908859 3418.560537 1213.549923 4380.752188 Idebenone Metabolite (QS-10) 9555.71928 5840.821286 7336.674483 8824.362026 8955.594942 7614.408166 7109.136711 5794.533751 6255.155294 2067.101275 1801.570642 1791.177325 1687.489134 1601.933181 2918.259089 972.1286817 1121.703246 1743.951094 11464.06908 13464.63366 9379.587677 9438.427632 14073.43716 12369.95818 12134.01594 12953.30984 12797.086 1530.8626 1730.46275 2177.259723 1486.992059 3421.067928 2224.69987 1316.714513 1081.336916 2633.199194 8859.680784 10394.91728 8334.498445 10204.06292 11925.86052 11864.34463 11815.60171 13981.38378 13643.8753 10579.83048 8799.439821 8162.515901 6979.500784 5878.028078 2749.450224 7612.50154 2514.081487 10613.26676 1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol 3206.253606 1621.245265 2069.132778 3292.558634 3681.948905 2264.996381 2224.713399 1987.496742 1808.2236 1567.876203 1059.449423 620.3052066 1438.339613 617.1103865 489.313053 1701.609462 499.0532005 1108.765995 3114.853859 3260.871398 3163.803422 3180.710522 3342.23677 3596.63336 3561.364961 2461.916295 2927.515677 191.5854611 406.2730329 1060.299085 634.5676311 744.467497 1314.45903 957.4769446 727.0556625 1176.177631 2350.11301 2877.63917 1907.190526 2439.795196 3656.708322 3902.460088 3679.116744 2268.023048 2993.125479 3214.577548 2261.504272 2596.417801 2856.697864 2131.520484 1061.746742 2859.031601 1197.178721 3139.470108 Scorpioidin 33760.51161 22030.4192 17402.79447 11251.89398 8853.518978 19867.67576 23256.23852 58544.24734 39692.24866 15802.29502 7855.226535 4553.326035 15792.58931 3272.326724 6599.464391 1569.532565 14878.41471 15601.0822 21146.98195 21416.51697 15905.76121 21037.22833 19823.98777 19233.78638 16463.19005 22007.02507 20812.44902 4581.52595 6143.749764 4674.63219 4820.203972 5311.615546 3634.561868 7046.535023 3299.083439 2461.456583 17010.87363 19525.77802 17730.9993 16818.05831 22047.66126 18926.50273 19168.26367 19992.73697 25254.60358 18704.79617 12161.54497 17486.26195 11877.00136 10651.73761 6170.27623 15723.44172 4269.005745 15790.40262 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone 99085.25017 65278.28622 83769.91437 90002.63491 82914.08074 104461.6377 126630.1789 86983.12848 40263.40891 4006.158197 1197.924806 9117.173568 2923.762216 3006.63194 8603.928684 10132.39582 18727.68616 3891.107274 85893.36268 155698.9975 87766.69224 191259.8287 96695.22918 204833.3864 107889.3654 156178.821 89565.80831 1968.392709 1191.004477 2124.056311 3528.083087 1977.491583 924.67743 3526.773239 7047.51472 2457.285243 67584.76194 113645.6676 60628.71443 82394.02107 139100.2087 94793.39458 108642.4372 97965.56857 87784.77279 180003.461 56361.39418 73420.70889 70873.7176 31982.18505 5123.804817 59759.33516 4997.101241 132521.0546 PE(P-16:0/0:0) 1481.285133 4595.113065 495.3346768 3132.04738 1478.77197 484.7700678 9405.471304 1201.905517 4.07813e-08 173.1418578 201.8086517 232.1118107 201.7787413 431.2003382 522.7915362 4.07813e-08 124.6326046 1429.128778 4.07813e-08 245.31317 4.07813e-08 18273.5547 4.07813e-08 73.47304167 5991.801823 218.9839372 4.07813e-08 775.3949449 4.07813e-08 4.07813e-08 4.07813e-08 48.25498145 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11658.19403 543.165347 64.49666659 304.7531778 550.4383288 479.89287 386.4981066 57.90978342 781.6917151 1019.699279 4.07813e-08 4.07813e-08 1534.400337 6236.41468 4.07813e-08 498.3084635 4.07813e-08 195.3207978 2,3-dinor-8-iso-PGF2a 29406.63653 42295.74246 22537.80021 24766.0156 34172.88457 25097.94744 28628.9737 17489.87248 30613.02407 7567.931781 8427.485035 5595.340766 7185.437987 6397.821559 12208.64371 5620.689027 4447.015879 8966.202038 32952.79591 35211.89199 29693.91708 33876.89393 34022.18455 33655.09312 31727.97115 42524.19061 40047.24479 4797.12641 7221.633112 7602.521452 6105.002472 7737.945338 6495.189662 6476.67798 4448.058121 7276.138181 26054.49581 33515.89242 30344.65783 25990.975 32839.01865 33245.66033 34139.63772 37672.99029 48958.63174 44160.3611 36275.19591 38515.71967 25913.7777 22612.19433 8082.861865 34040.46531 6299.099818 26929.13315 17-O-Acetylajmaline 18898.44569 14948.1741 25527.27932 10928.05388 15192.51373 17268.54452 32967.27058 12685.13768 16139.25138 6381.911503 6154.115348 3933.088005 7739.556988 4849.415251 17450.23607 1976.652064 3446.662052 15646.33133 252629.1165 217273.2431 183023.8797 212084.1246 247942.6787 228504.1887 213833.8856 270504.903 252746.8114 67103.70701 62830.63957 4023.071856 71507.71656 93686.53376 38048.5518 78749.75655 16369.93018 6032.333129 178955.713 188021.1801 184722.4495 201286.2096 228580.4598 206125.6623 228407.719 246019.6044 286969.935 156954.1953 116067.5828 170827.911 153004.6247 134841.0223 100324.163 181679.6614 73713.62277 154067.9369 Prostaglandin E2 serinol amide 3069.50077 1898.542668 1716.015065 1429.87361 3591.98165 1363.139135 4071.559476 3294.574048 2385.019082 106.8331229 222.6516668 4.07813e-08 4.07813e-08 243.2889388 482.4905021 11.04350057 301.988631 1248.952372 3298.277303 2837.490857 1502.546223 3368.964136 5917.12435 6693.578647 2166.971021 3097.706471 4462.535091 349.1885224 128.1565432 415.7717573 4.07813e-08 4.07813e-08 302.2003706 189.497387 981.437146 229.2515155 2643.534174 2017.071716 2293.008474 2370.793 4207.889573 3327.028134 6364.044644 2201.165549 3915.548456 2193.453801 3095.950629 2444.204612 1647.128717 4.07813e-08 164.3467908 1552.798245 4.07813e-08 3192.923741 1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one 7433.270745 8468.385764 6918.944856 5662.004276 4339.083001 8189.424392 11994.09532 20645.35516 26435.48395 2161.201041 2611.893154 2851.602661 2192.90681 2475.71112 1356.08667 2803.393234 1084.203117 1570.44623 2826.625608 1532.721762 10899.24326 2888.459341 12686.49579 8531.195969 7568.33192 3581.28297 3854.215618 1810.95872 2974.978581 2796.008404 1857.080207 2710.053915 3436.282668 2408.557104 1448.456856 2065.13902 8164.861521 3142.813424 4112.544093 7394.768926 2425.945308 3240.505517 21291.89134 4356.455532 1779.331964 14936.01684 5052.648478 24107.00262 15697.29884 22372.57647 2102.182514 33122.58981 3191.222188 13449.75706 desmethylastemizole 11926.00943 14536.4778 5206.509579 7059.101631 7135.387113 7894.641997 7229.365898 5651.874299 4829.275245 185439.5009 483971.3669 381299.4967 176815.8435 570129.3705 424234.5317 660765.2655 2738141.688 374239.2083 16895.38082 12932.66371 13663.50877 14213.6665 24431.20845 13037.48174 16206.08926 17978.83426 20178.0899 2929030.874 475176.3327 365327.2933 305390.7905 468553.4396 461078.6059 266585.1998 2197486.343 428698.7977 11374.63519 11980.86953 10551.56293 17219.39137 16457.6878 19591.81081 12669.81314 18636.64655 21775.59757 6774.195276 16116.77194 12105.16455 14229.29518 7688.508573 287662.2435 9999.017428 193841.2501 11574.00886 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide 35549.011 27188.03488 29585.28562 33244.8412 34655.89052 36531.01246 44162.56662 20700.79772 31261.54598 6581.141536 6378.121341 4307.832462 7068.97225 4863.365187 5789.485652 6106.616239 5078.631511 7040.161311 48510.1951 53914.68709 32617.46301 38826.78135 51926.99026 57217.33492 47396.99286 26604.37243 34212.46191 3660.341895 5712.589594 8931.016518 4534.002896 9120.141926 7275.184018 5813.838606 5135.272235 8014.784038 35838.98149 49723.45762 38079.41484 31961.68151 41966.38649 56032.47038 57723.65189 27152.42395 32561.59574 50051.48017 44214.68145 48716.58883 30279.34607 25457.09618 11334.00917 46137.87749 7931.454428 38744.92961 Tyramine 721.2007266 1161.525592 608.9524625 755.5758953 650.4135669 630.1538757 807.5364542 1431.02875 1768.29785 333.7167859 494.8892447 463.2864238 389.0254915 332.1203378 278.5647041 335.4635802 373.2230747 454.0470284 285.4021422 415.1502711 3376.7124 478.4791408 2759.652759 510.7973327 737.4966129 507.7785539 435.4004187 753.7055909 472.3230908 357.8930737 592.0929659 409.4106793 588.0297424 386.2704585 383.0923352 413.9305153 986.426535 557.8384301 533.6748683 440.4555218 516.0350456 543.0833016 963.2636647 481.0602186 386.155669 953.7318441 649.7190919 1205.047559 1180.402738 2516.919336 354.44943 1556.107874 718.7720249 960.9954351 Musabalbisiane C 4.07813e-08 2234.980498 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3801.825572 16938.98342 6293.361199 48723.96405 14062.17023 184737.1638 85177.43355 54364.32673 76536.56936 55343.57168 453.3632439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17960.24233 7428.464278 454.8489251 33281.86837 12772.86514 2524.722431 7871.088714 23868.95031 6937.973855 199.2933745 4.07813e-08 383.470658 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 534.8542778 4.07813e-08 10523.08501 4.07813e-08 17907.5375 4.07813e-08 70514.41621 545.5763497 4175.554989 1658.163833 (3xi,5Z)-1,5-Octadien-3-ol 6104.63154 5218.370609 5524.19849 5792.049893 5507.684531 5004.457836 4956.13081 4397.983841 4656.109459 3652.594123 3133.798389 3483.240422 3912.668027 3746.613856 3291.705971 4494.258301 3710.657608 3895.065512 4283.948956 3961.322624 3473.818542 3751.70279 3529.42118 3437.561402 4044.928927 4386.728421 4117.079341 3036.694671 3958.462415 4312.387915 4209.258529 3852.898561 3805.239072 3270.70229 4640.126118 4325.820287 4758.902623 4135.171267 3952.086325 3607.380646 3301.888091 3317.076189 4030.650893 4814.652206 4087.869688 4763.47155 4156.843221 4200.014454 4025.68853 4057.993211 3183.783628 4108.523375 4424.682228 5145.63742 (+/-)14,15-DiHETrE 12347.88691 7955.487616 13541.78684 16944.39522 20765.16808 20988.44325 9880.861928 6360.880215 6448.965723 420.074204 611.7963842 176.897518 345.6915792 1134.887723 242.7197835 664.9967022 426.58562 353.2924365 15772.15119 12849.59353 9672.735011 12350.68178 14068.55592 15535.43242 10143.53284 10828.54769 13351.14562 128.0501403 198.6349836 1053.528763 90.5778139 975.2082107 228.977983 444.1389761 4.07813e-08 495.5742243 8000.465693 12495.8158 8440.374914 10646.54365 13136.88087 13487.55299 12843.18953 10097.54544 13180.09971 9044.186623 7082.99203 10151.83573 7853.748529 5962.043142 557.5118118 7804.466284 310.2008148 11482.87521 3b,7a,12a-Trihydroxy-5a-Cholanoic acid 10532.38266 15060.38048 22311.54367 6078.474106 9073.87657 29231.01223 4828.714379 59413.3431 57877.195 1076.602612 752.7630375 262.7559791 1635.51929 304.5149504 915.8516997 821.9883084 269.2752571 2228.377757 94945.99697 55809.16564 84228.04436 27239.2908 18950.99391 7428.412415 6333.398335 4466.669638 5256.769991 119.3273981 636.2087517 734.8980113 470.9171643 259.1514577 287.6797884 101.8835302 637.0685862 4.07813e-08 33271.61391 26731.66668 86693.2822 61345.46238 17067.22823 18948.05331 5115.557307 4351.842334 9266.953061 158169.8305 100277.4865 55303.62022 36305.09084 13078.25019 970.0121039 70957.53739 240.4412027 14272.7107 2,6-Diisopropyl-3-methylphenol 7748.645116 8157.406118 8447.530003 8458.828527 7927.421195 7551.787825 7335.641692 7466.278073 7701.146047 5438.524798 5391.082745 5569.630423 5528.505037 5397.015549 4909.385249 7115.650671 5592.461857 6387.310089 4834.209469 5346.137715 5286.268823 5307.167639 4831.534357 5346.651557 5801.123909 6807.915085 6796.170235 5203.981827 5832.441135 6523.281873 6692.857894 6017.13594 5553.262027 5229.194249 6666.118065 6176.075837 6393.734483 5182.176065 5648.731828 4702.547696 4657.271589 5268.895976 5487.637929 7206.260775 6221.218216 6634.280125 5237.761147 6037.169518 6150.115816 6222.215992 4380.669541 6330.699828 5956.4618 7416.003145 PE(20:3(5Z,8Z,11Z)/20:0) 4.07813e-08 4.07813e-08 4.07813e-08 646.746633 0.400258222 4.07813e-08 4.07813e-08 15.43134698 1534.714881 4.07813e-08 4.07813e-08 711342.7072 4.07813e-08 799673.6267 697271.9451 51748.78291 625407.5008 441733.3939 4.07813e-08 4.07813e-08 1657.44005 192.7288697 4.07813e-08 4.07813e-08 4.07813e-08 312.1005666 77.67729981 115239.4292 297027.4391 4.07813e-08 112984.0388 3879.863504 766.8319617 306118.5137 326291.0974 10066.57696 1985.988604 4.07813e-08 12863.27954 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 415.3004612 453.5345872 1990.501024 93344.14453 7819.20229 18640.92035 4.07813e-08 11790.00737 21338.51926 4.07813e-08 4.07813e-08 3-Methyl-alpha-ionyl acetate 16709.41935 15125.45596 16166.09281 16861.57353 15497.07551 14928.76569 15150.10297 16824.0396 16217.18822 7823.247297 7396.745472 7067.770876 7779.970454 7024.21609 5313.76045 10740.23827 7806.100862 8359.318815 12186.6068 11800.82488 11486.57752 13150.30002 11545.89504 12679.6332 13557.49901 12607.56821 12985.38764 6879.231133 6945.41805 10851.51249 7888.615047 7102.950455 9138.844239 7912.416728 9011.474128 9204.150512 13843.22006 12850.85534 11347.69392 10752.08919 14027.39837 12543.00204 13266.02577 14250.27785 11590.32584 12611.13478 10621.19993 13379.82816 12859.83365 11782.95092 7140.455975 12761.26639 9669.211261 14249.34882 1,25-Dihydroxyvitamin D3-26,23-lactone 397.9490405 424.1450545 886.9962503 1020.955254 372.3784697 2292.84476 1845.307792 161.5591659 172.5133329 786.5619012 245.2336392 1186.181921 503.5620488 5058.171506 7166.137498 1513.292942 4079.990879 3769.524714 1324.237064 525.2820384 600.6556902 1940.819301 940.8472449 849.7524569 4.07813e-08 136.7841446 4.07813e-08 13734.757 1543.966907 2.604976181 367.1849691 219.4791926 1046.652695 457.0978739 3806.438111 10.79420995 643.9425542 335.1635359 504.7250545 1735.84327 1212.188773 1398.550595 619.3101286 4.07813e-08 1.718876177 635.1986956 947.5902904 418.6417813 608.7537266 4.07813e-08 47.64841783 138.5825494 12.97468148 293.6081306 4-Hydroxybenzaldehyde 21229.61242 21275.5119 21831.64164 22142.15799 22150.38026 18018.83011 17490.28289 18808.75244 20200.32076 14554.72247 11099.19253 12532.21608 14665.44226 14701.18622 11079.82051 17323.00838 13004.5387 16643.39918 13230.5545 14559.35854 13633.11493 15071.47589 13593.41341 14450.2942 17997.82318 17883.00855 16242.54633 13201.97075 13472.66472 17178.46496 15577.26801 13713.77814 16475.23696 12426.35677 15177.88952 17352.85831 15235.50191 13660.83844 14474.63372 13542.44011 15891.91813 15105.14685 15366.97749 19221.49364 16574.1175 16091.03319 15142.31373 14953.45894 17090.32878 17260.1496 13955.39825 15555.59741 15771.93868 20143.21587 Cyclic 2,3-bisphospho-D-glycerate 62790.01086 59369.40147 64305.30921 59394.2366 58630.75546 46143.57933 46365.05172 54955.04702 55733.07005 40715.83173 32652.0598 34269.33348 37786.88936 39218.04173 29491.97694 51920.33674 37055.12872 45971.58655 37764.75587 40113.04736 36498.26538 38813.9857 37236.0759 35660.87975 51869.5382 50818.5993 47774.14153 36300.59948 37862.95718 43671.66237 42344.84726 35781.73229 46548.95239 35152.43091 41731.94821 48284.97998 44443.78404 35619.85843 37889.26638 36051.36772 45041.71425 40791.30816 41527.10825 53073.86679 44662.60266 43142.3031 40005.75155 39358.35559 47923.1743 48313.97238 38194.71448 45066.14941 44713.23611 56826.41711 5-Hydroxylysine 8214.816651 31466.38743 3801.588186 4366.531642 3387.811553 6527.355421 6341.718187 12495.30832 10624.52748 12080.61314 7642.68635 5104.403204 9085.097589 6361.750633 7316.546527 6495.963371 5760.278339 15217.31816 7174.310992 12565.22031 5997.208811 3434.206641 1979.081573 2826.059034 7990.264176 8907.282974 2355.927713 18101.50629 10370.59933 26231.67604 24279.33279 21951.93389 9802.890276 11604.58434 5498.728403 9711.993437 27895.49676 5473.781935 2712.368932 4879.256793 5476.974769 5076.228348 2689.994022 8350.482977 2423.242819 2510.667731 3486.893554 7291.872537 7488.916197 13894.56283 18223.84565 10353.24837 12020.45738 4934.767945 D-Erythrose 4-phosphate 4553.90698 5625.117265 3653.870154 3036.317834 4137.192941 2150.250775 5870.54717 6335.812249 4553.622631 1502.158955 1947.354622 986.810638 2602.974079 1469.366217 2711.480984 274.8166565 421.360107 1229.689923 1434.200254 909.9612651 2001.671736 1086.42736 4136.561364 1697.96907 2359.930501 973.0596191 3990.750923 2648.60152 2598.744851 1653.169711 2784.481013 3498.962816 1050.697415 2312.261824 303.1376716 478.5603206 2198.894773 1916.300619 3137.928053 5956.568382 2633.670718 3119.533592 3398.988508 2558.513215 427.9849602 3299.636371 1020.621373 3587.326519 9467.242697 7998.966742 4069.535807 4634.292795 2447.44734 5066.662039 3-Hydroxykynurenamine 3112.533373 4361.33343 1051.275848 1910.939905 1885.269116 1144.893816 2348.701305 4180.037601 2594.985836 27719.73616 18316.71566 22951.56504 25125.71573 19923.91601 19590.30779 11733.75039 10266.65453 26369.7571 7654.693066 7467.837196 8034.94382 7115.680267 7895.594402 3316.202757 5102.222916 5650.570292 9113.84672 33006.42328 30117.78304 20718.57787 20686.0624 40374.4795 30791.81986 36441.52716 15399.82861 18502.37581 5066.352409 4206.90352 4127.881731 7828.056507 5813.069009 9923.07781 5050.636943 9753.01787 6897.757881 3446.393044 2555.986829 5324.94145 5383.117578 7747.97844 45958.3443 3464.756773 27968.6959 4783.059031 2-Hydroxy-3-methylbutyric acid 920.8051761 249.6948157 1059.053883 4.07813e-08 4.07813e-08 1930.031327 556.698055 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2152.056404 1630.291382 2798.210623 2158.357393 3452.83974 5765.166704 1955.110579 1445.879617 1525.112162 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 886.2657245 1532.65874 1243.518309 3032.03022 2270.721966 2213.266522 5889.918153 1042.690893 2802.038397 3144.50661 1957.785782 1733.118022 728.728809 922.4979134 4.07813e-08 860.9602526 4.07813e-08 1979.912522 Triethylene Glycol Monomethyl Ether 7978.59809 12538.37129 7465.555429 10166.34673 7704.101565 6213.895768 5407.626904 6147.527865 6911.370847 15350.79946 15308.37418 15757.87337 18600.36773 14454.7814 16638.59232 10154.06162 8691.530749 10320.02013 22692.02471 8759.678557 37130.645 12227.23144 6280.270961 6185.231619 13099.10752 8103.857001 8913.030008 22437.01298 20607.26132 27578.47054 19512.93683 35969.97755 17951.1774 23371.20557 15059.10286 20423.16716 25832.38092 15936.61937 25848.50982 19640.71987 7399.294095 9801.488251 3830.055213 8552.815764 13916.68138 4477.379773 4547.108596 10274.75229 12569.36482 15828.53279 32970.58803 13684.91977 16200.65494 4443.235684 1H-Imidazole-1-acetic acid 539.247471 641.7177301 600.0794315 586.2592329 1459.545349 855.4768389 561.610915 847.9248205 1573.077053 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 388.5957408 4.07813e-08 4.07813e-08 1541.864732 1224.337194 2162.831186 1324.736321 2785.978894 1789.774074 2220.163942 766.8197097 2869.640955 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1853.537096 1538.299231 1413.632572 2161.278048 3247.285405 2220.014823 2277.330466 1444.58698 3137.758167 749.0239573 1338.854683 2085.754293 1469.154213 972.6384193 4.07813e-08 1147.118998 4.07813e-08 1334.865553 6-Deoxy-5-ketofructose 1-phosphate 12993.42542 19460.71841 10699.45066 10263.34793 18150.57873 10461.53966 22717.98914 33314.52384 21821.02573 9439.826044 11856.4002 14577.48454 10828.48098 29006.64335 9714.185187 121286.1699 31980.77585 41693.57667 3834.621464 3979.152245 1026.444141 1038.077658 3087.857354 3101.12538 3652.340954 830.9168007 2801.300302 24601.00836 20719.08963 59624.21042 22446.74337 47069.98506 11208.15551 1828.222011 24238.25444 47578.11673 635.0460142 7773.855859 12557.53676 3931.605796 3168.973893 6996.395219 4904.942687 2839.400942 339.0649578 9487.983448 9519.30447 10387.86005 19180.23795 10219.58305 16056.32367 17793.50371 23260.39632 9693.322603 Dihydro-4,4-dimethyl-2,3-furandione 4416.867168 6872.617784 5594.153245 7122.75998 4912.183925 3543.860966 3668.783448 4296.627449 6099.317837 15383.9216 14005.85286 28090.23692 12560.25378 56841.71729 21379.5536 14830.98599 23092.78556 9370.365278 4250.477861 3175.214661 3357.456613 3766.60033 2612.563362 4664.357448 2192.025157 4300.104013 7234.864473 30633.16173 33200.83023 21226.02494 21783.48299 14537.71297 17500.92515 14597.24147 66049.54161 25054.52567 2588.870163 2460.380331 4930.002484 3163.780163 6236.748866 3938.842145 4011.227028 6049.008778 4877.229235 4410.711618 2690.243207 3179.118783 4972.313937 4872.073024 27836.62437 2681.791812 19353.33065 9542.295846 Salicylhydroxamic acid 69573.18863 143150.961 47363.39378 80908.75657 55378.71388 30761.05903 76259.18105 64952.82257 39246.95214 22050.57019 28700.59043 20197.282 27909.99535 23106.23777 12706.41095 15564.94736 20301.96046 21890.99554 31750.94949 31473.98056 24514.53764 22034.44707 21607.12938 23654.43258 32053.52856 60664.51484 33459.34331 24306.53475 20461.0289 39017.87097 16497.0725 26647.42062 24460.51397 16351.78306 17944.43526 26403.35839 76287.74317 26709.07503 27144.28659 20117.65024 23396.1882 33841.69735 18208.86243 52874.8824 40430.6004 19553.20528 26827.52939 34302.52534 49361.2061 103521.8913 16601.98195 44715.96171 17507.07652 27897.31912 Ectoine 23563.38034 22262.18811 23741.83797 18635.10134 22427.45189 17200.97215 19060.71019 21915.87183 20081.21895 17988.74453 18425.30629 14306.25512 16172.4177 13595.30599 10961.53289 14251.13426 16263.52695 23821.80625 24475.17742 26305.65144 23365.64111 21542.87672 17846.37488 21433.34691 22837.88783 27246.9819 26292.63166 11756.05598 16962.96212 15767.85369 14709.98718 14149.92364 17163.41579 18485.34555 12851.95512 16918.86744 21955.83313 21852.15564 23820.45793 20685.37 22712.77503 18196.9831 21551.47037 23455.56969 26028.15576 176504.5414 75329.75684 16356.41721 20886.09165 26730.57693 14228.69109 18969.42865 15862.40105 20147.32996 Guvacoline 18185.20682 14463.75 15090.74651 12722.64496 13522.66999 13206.99344 19020.17597 11723.82758 41948.32408 2191.43326 2381.047764 1210.491986 1872.876728 2458.200466 2700.310352 1540.442058 3193.544205 3119.074062 26876.0567 17057.79747 21407.16503 18809.12956 21615.00688 24643.89864 18540.06989 26602.23115 25680.5246 4475.370151 5018.308728 5271.765572 3092.615659 4160.300441 2413.381963 2704.30485 3355.266804 4863.641872 12532.84148 13563.01438 18995.69963 23098.20484 22482.83255 17473.21365 25279.41601 26440.7805 15909.37446 25254.28502 13871.24093 22364.93154 24636.83205 23458.90119 2712.753105 21521.09271 3824.843737 14469.81568 N-Nitrosopiperidine 1495.461587 5443.326281 483.435161 1918.689108 683.9121427 915.2280112 2476.021215 3531.608896 1058.500067 3218.315129 3633.087771 5293.632188 3258.869053 4702.401652 4073.867452 4027.680757 1258.589669 16469.31297 1109.071355 933.3462926 1718.763677 657.107904 1320.484115 1427.907585 493.8378706 6437.448183 4.07813e-08 3240.449859 4822.748981 5719.822839 3843.085345 8022.45706 6599.556326 4052.818777 4048.171301 4302.304149 5951.010109 4.07813e-08 570.6700817 899.156686 959.1589668 659.7208768 1383.213553 5932.000084 3202.931946 1390.177469 970.3018294 1120.985198 3142.12437 5049.275915 7793.99211 1618.346919 5572.059536 2323.304877 2-Maleylacetate 4565.965073 8473.679395 7327.081185 4836.383193 11173.90246 6983.443035 4443.370365 3123.973455 5742.800524 4323.212971 3397.971384 4139.907209 4218.475202 2705.264863 3114.369787 2728.942236 1877.393997 7024.004998 2506.633578 5242.354938 7638.263715 5916.318898 4564.605663 2330.020911 6467.610625 26929.59265 24201.00147 6060.764446 7349.258994 8590.580228 9569.634411 8889.590723 6891.288776 6603.404223 2798.685448 7933.91752 3392.192568 2987.810307 4994.964732 8422.440721 2854.78191 6417.648299 1459.14031 22414.05174 11083.90047 4358.341824 3139.327232 2347.352224 6803.42767 8864.080124 9752.444606 3261.415976 13169.77486 4233.970517 Pyrimidine-4-Carboxylic Acid (sodium salt) 507.2422949 95.8645746 1034.165222 131.9587056 488.7398986 4.07813e-08 97.57119694 163.5016284 85.24442111 4.07813e-08 72.76349466 60.01342992 29.16798037 66.80050027 22.67936887 35.92206739 31.11602061 115.5042086 1667.180907 1445.778154 1820.794761 1560.406727 1060.202756 1604.399634 968.5598155 2099.297683 1669.507547 30.35876952 122.0476083 73.56901974 52.17231237 76.70091173 120.0597047 87.59173122 89.66094826 162.3634279 799.4687679 1037.489361 1382.945151 1120.541982 1281.335848 2200.457067 1280.267606 2418.403662 1142.365166 2277.881918 1253.346712 1315.908146 1503.907864 794.9218714 40.2081292 1685.861702 73.62322766 1033.122713 2,7-Anhydro-alpha-N-acetylneuraminic acid 6351.748916 14953.15071 8582.638453 10249.38834 6884.811244 6108.481904 8924.715201 5156.86999 5097.760581 64470.94744 42546.12193 32227.24541 62468.36758 35565.35865 37117.47044 23173.96624 18619.88986 22534.79886 10556.44972 9739.286319 11076.85969 10068.22792 12041.23761 9714.397698 10562.10336 14408.34846 11584.30304 35854.22529 47667.9064 31498.87231 41182.59506 61368.69657 50535.1702 54517.61896 25214.27261 33696.83711 17502.9381 11139.35327 9221.158036 8501.104958 7228.101137 10614.38442 8011.670467 13317.51205 14390.84934 11799.26667 5872.845307 8503.107395 4131.163577 10052.59398 54783.63941 7966.578314 43188.54902 9266.250005 N2-Galacturonyl-L-lysine 7694.219467 6082.90023 5250.616762 6569.407695 10776.57142 5564.351013 6462.941551 4312.324607 3786.535968 8433.520786 8633.803233 8808.428934 11383.9586 8117.512368 8336.873678 5017.601749 4997.51657 4555.622748 12746.78627 9126.235937 9005.224491 11567.25476 12372.34659 7686.46191 13899.1781 12029.5046 13290.7675 9881.271462 8360.643246 10588.5277 6403.815622 8201.753232 9704.562338 10115.06877 6149.239374 10285.31357 9589.199053 9195.070768 10106.32749 9604.935387 9856.8776 16094.17351 9176.215403 13304.54613 15079.45735 10542.94148 8418.704014 6268.952027 8856.367881 7039.996421 14985.87171 6614.330287 7853.257115 8193.848305 Kasugamycin 4679.992832 5449.65559 1704.142333 2778.497605 4532.897116 1655.333747 3563.858036 6192.341601 6748.442677 22709.10333 14458.5956 21348.47784 23999.24756 8002.122502 32638.12867 21712.7634 11742.65613 19363.40194 1495.207774 383.7777799 1877.820594 1436.948157 35.67495482 790.922525 1664.317094 1278.415591 4.07813e-08 49631.61343 14753.75215 10930.03299 28686.92883 11325.3624 19050.87064 45136.01515 17991.62063 37327.74434 7063.121958 504.9398808 2012.287156 2829.158579 4.07813e-08 2300.478619 4.07813e-08 516.462075 27.2912849 1936.055591 1962.126091 4.07813e-08 10800.09781 22573.07259 19025.97042 8179.026433 20894.5099 4083.287265 5-Hydroxytryptophol 6842.46746 6434.434552 6976.953226 7449.331252 8316.696467 7552.876446 7065.686972 6045.148253 5273.703734 5150.75124 4165.885744 4057.884989 5767.547686 3476.262648 3432.366177 2305.041005 2483.434369 4435.98634 9828.077304 11585.48626 9491.4193 8876.661168 10503.9405 11063.59311 9180.447558 12920.40235 10778.05737 3502.093796 3880.560614 3749.348489 3551.955539 4623.345538 4485.389852 5041.923685 3171.190416 3429.611817 7743.519353 9917.522756 8805.162667 9663.926195 9017.71138 10928.61108 9252.98175 11531.93399 14035.5774 12156.60628 7678.921872 7685.112384 7663.877656 7546.693981 5469.104368 7613.036948 4716.930202 7991.869124 Osmundalin 9357.007915 16305.63997 12369.16832 17731.67336 17562.29352 11372.2057 21169.52191 21919.70939 15269.67466 14018.41369 16655.81897 17210.2662 14810.50275 8703.805038 16378.37398 28930.36497 6346.74152 5587.513654 4912.654096 4400.701227 5875.77982 3350.747448 4630.330748 4009.925247 5055.345201 4189.755413 5215.488364 76157.47183 18728.21897 26880.50239 21313.69517 74500.11306 29689.33547 28047.80708 41103.67575 24504.87169 15877.21369 6210.500686 8388.100697 6928.259802 8796.832232 6040.719054 4676.815902 7556.81315 4591.991306 7238.074895 9181.213676 16811.66706 26916.73907 33316.95752 26525.93061 28285.16978 47014.94334 28998.57158 Varenicline 4.07813e-08 313.2622321 204.5019179 89.60687185 4.07813e-08 122.8872506 4.07813e-08 280.1861571 193.0052868 252.5040189 107.5614106 52.71456854 460.4944802 157.2039918 3257.716037 4.07813e-08 1341.817536 256.0543152 234.9589785 85.82858977 280.2241388 4.07813e-08 4.07813e-08 77.81263579 4.07813e-08 81.22132932 599.6953818 5769.318428 1818.037579 1176.986922 2522.03488 2508.038064 3146.282613 3585.712187 2486.990943 1747.253357 718.4565546 148.2710207 4.07813e-08 90.43203067 502.5830397 99.09664055 222.9043804 907.9473007 92.85354038 389.1135886 4.07813e-08 62.71590849 121.6638899 718.7145901 3006.54356 619.7866715 791.1616968 300.6134935 Etiracetam 3431.302974 2930.257781 3572.165424 4120.259016 4684.915772 3344.085327 3231.097442 3157.790844 3551.915568 757.5922931 837.9501256 815.6291673 1070.857698 606.6730479 535.9629963 459.1899316 218.8436715 951.2544802 5732.457024 5841.196371 4348.652966 4890.251235 6789.967336 7835.917175 5916.60821 6570.120505 7122.335864 411.4597078 736.6888227 393.2341534 679.6026558 759.8382853 761.3974196 1167.698923 394.3307209 579.9948088 3592.184783 5226.640292 4428.131839 5456.473531 5894.213041 5595.087555 6888.645222 5674.256928 7121.095658 4370.859288 3306.188335 4098.807321 3101.922577 3026.406902 803.5022488 3755.177606 1006.344876 3804.444932 (1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol 763.4097785 257.1035754 1404.484846 342.0519852 655.4819963 780.0012918 1188.342972 827.1559461 265.8796774 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6.188322538 4.07813e-08 4.07813e-08 6383.54764 4013.958272 3822.943742 4384.930379 6508.65465 5599.361007 4771.165138 7317.197686 6259.914409 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.004417881 4.07813e-08 2799.604612 3571.59685 3035.5871 4000.035995 4918.624862 5003.532657 5420.639791 6506.870483 5837.287779 3954.557271 3287.653526 4191.029022 3499.164136 1783.899573 4.07813e-08 3395.09655 6.945118966 3968.697465 Terephthalic acid 2425.672746 3814.531601 4246.655399 5317.839346 3004.522224 2162.59429 1772.76821 2588.823802 1675.597868 1206.954902 992.408306 1201.74081 1109.064209 1003.401111 915.4461201 1461.278211 1147.522127 1411.292571 1809.613101 1714.12064 2715.840599 3559.225771 2004.856234 1591.47753 2306.253924 6271.989432 1850.894919 1118.49629 1354.156761 1368.074502 1234.727182 1144.85357 1300.494739 1410.17458 1385.107083 1409.890654 3292.811354 1907.884567 3921.201611 1413.836762 1830.368103 3025.278878 1503.809173 6564.17958 3084.227357 1817.846716 1848.588945 1642.270604 2224.39659 2671.08954 1035.296451 1854.014206 1613.329295 2091.576025 Imidazol-5-yl-pyruvate 2939.427814 1636.069219 2089.736307 1647.722083 2050.480756 2462.33544 2299.475258 2355.88422 2390.024919 661.2593373 633.5614676 504.5775961 497.5441001 553.1284254 489.625786 570.9390495 677.4260638 564.5979188 3251.944963 3577.369015 3385.129167 3375.040932 3495.315551 3740.406611 3113.060579 3992.081195 4955.816805 616.6830766 574.9216039 661.288279 593.0889882 957.7807343 629.9744667 451.6597338 594.2598202 660.3950409 2805.038535 2868.071302 2890.07056 3274.983528 3219.679482 3092.536569 3731.680279 3732.830807 4366.048221 5351.707114 4220.485327 3238.665858 2808.858107 2075.733823 697.0809435 2896.536832 846.657119 4009.296025 Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- 5413.378595 5837.619241 10413.20581 16241.13403 13045.68742 9378.516114 9938.063201 2319.655858 1401.033197 4833.976408 4001.689604 8129.913924 4439.007515 5054.593637 4289.531067 3626.83917 1046.904321 1782.882841 10762.48859 10947.84322 11221.85598 10268.94138 15231.46548 11840.38079 11412.12088 9448.788221 11081.04735 5235.357529 5366.375975 4651.17491 3520.61476 6048.444969 6533.236758 6095.363402 2915.275303 5011.482247 9137.766305 10019.12075 8755.731971 11355.23587 11433.74535 14240.59181 10952.83967 12785.05192 11069.80273 10096.05169 7418.043729 8660.37372 7256.360375 7872.426373 5518.51185 8550.624545 5198.134103 10256.30753 ARECOLINE 2039.710982 2030.607586 2746.555497 1992.373675 1841.555003 1210.639911 781.2355692 2899.324916 3457.840218 646.9021049 1230.062813 420.7897493 673.220139 520.8442423 364.6388506 538.9331081 305.880138 738.2670194 1810.32795 2883.620747 3128.543607 1674.528991 720.4892223 581.5888812 2615.755532 3454.417938 1542.574945 1474.707506 1268.628923 1068.487598 1070.522648 1338.936024 1592.549274 1470.282869 454.3848447 804.0347112 2315.505332 2392.618227 2326.516635 1819.945133 1477.37658 1566.394929 958.9990765 5182.276147 10171.218 2439.406517 1124.150247 895.9181598 2820.363026 2482.71437 925.531788 1499.24807 2522.63873 2167.752585 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one 569.9029133 1516.07593 599.3763825 465.324641 3371.588297 1068.673348 244.0220187 2411.930832 99.72434075 767.6345918 817.6409907 576.3912545 998.202784 1147.370575 1146.157221 1899.475238 2083.336339 1850.349751 2005.649073 93.37420276 2143.806008 1088.461317 3286.587528 1926.906495 686.290545 23857.65874 3003.605962 1157.864722 756.3675697 1903.816494 604.3483495 2229.523665 1940.77347 597.1689964 2317.484574 1433.929027 861.2550658 3065.107607 2176.388225 2485.872606 1315.168664 2609.751247 1518.659751 26533.92919 2357.361506 4.07813e-08 705.8650361 608.7803307 701.8768859 1185.161824 210.2416624 1381.996889 1100.811668 337.5292639 Myxalamid A 80585.41435 102520.227 256682.5332 164903.2509 213570.5201 515752.293 344575.2673 328964.3908 312704.3947 2533.985996 2225.154297 4629.033105 2657.651747 7470.954463 7179.221764 3013.375884 6464.163804 6230.040615 221710.1058 569233.4556 418862.3974 373781.585 382167.2 541833.9151 372924.8989 163038.8369 44679.0577 2023.773995 3505.060233 2106.142662 2977.066015 6544.35735 886.3190082 4555.938248 2978.325211 2844.019315 194207.8259 201862.2628 214136.3237 289533.7597 563872.3191 198418.4889 461242.1394 140687.9903 23392.70633 856204.1713 483268.3289 655148.9112 262920.897 226575.352 148295.9179 379924.6017 24175.61817 269566.6227 4-Oxoretinal 1390.983104 1055.250265 591.127234 715.2378052 339.4952493 5548.989434 5829.548959 587.7754663 1192.82071 806.2758637 2975.817859 4.07813e-08 583.22462 81.45334082 261.6824835 34267.16345 75.53939432 1104.836149 1562.237642 1430.460997 2043.209861 3687.428519 2076.630827 2556.234075 1378.304613 1369.684653 412.5844937 140.6511234 64.70890027 2335.33985 975.4812088 3223.075908 1774.572313 4.07813e-08 165.6978975 769.7045853 6147.67705 2523.236989 3646.872855 1870.730605 2767.296851 886.0351593 1404.92188 1246.639368 1414.510317 896.6891814 1137.113867 1999.128791 1216.349313 829.3239032 635.3784617 1105.05904 1083.500175 1565.523528 4-Epiisoinuviscolide 5419.099813 3732.840155 3891.629225 4299.59592 3360.806855 14318.41501 10198.81993 7886.298033 3513.899465 704.465701 559.8634689 623.470708 404.6743431 648.1933966 854.0745729 510.3973998 416.2464727 625.5008476 6827.63098 5709.510116 6871.626831 4756.454325 20812.93489 19218.15917 4953.47705 5083.824827 4967.751646 445.5982482 537.0116691 823.5382418 909.5760893 551.5942328 393.6702511 375.2759627 462.8006151 454.5669259 13787.98181 6156.42185 6286.253874 11697.73289 10355.44347 10022.12511 23290.11493 5601.468514 3628.553348 17415.08009 7121.20737 7687.763879 9134.505296 5920.549088 1170.879271 5874.044151 1433.63646 11840.24472 Thymol methyl ether 10609.66242 10473.33099 10249.20236 10549.19288 9506.22373 8776.327932 8639.545588 9459.21275 10009.12501 6797.897591 6222.006141 6007.030719 6587.816746 6349.112898 5496.316423 8083.707625 5337.304062 7600.14356 6880.538403 7365.267286 7381.204742 7354.508352 6744.886977 7271.416442 7908.800733 8292.590014 8288.321648 6357.291897 6878.065562 7915.124788 7264.955831 6857.594244 6148.087736 6251.256892 7329.653042 7908.959193 8145.795751 6917.348803 8041.192657 6599.22581 6639.407186 7234.791854 7349.736435 8854.313447 7805.10858 8317.987912 7547.102844 7573.254774 8153.731763 7864.039631 5707.752154 7434.36649 7802.533395 8800.709921 11'-Carboxy-alpha-chromanol 8638.037644 11399.0257 13258.41195 11789.58522 9479.309607 12563.98086 7372.772086 7041.80902 5960.368347 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 298.0721583 4.07813e-08 6165.479743 6467.274605 13042.35366 16791.29218 12956.05219 14128.2889 16693.17178 6553.12939 20505.40434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1297.350603 4.07813e-08 4.07813e-08 3934.853947 10550.65962 15124.24617 17549.18422 10980.07551 24568.32555 19222.08791 11114.18484 28369.5278 15505.96311 8246.93759 8820.301796 7905.860922 9524.839067 4.07813e-08 7344.790028 4.07813e-08 8623.973421 Methyl tetradecanoate 11494.6083 11010.23465 12516.43534 11967.28586 12172.34184 15765.19881 10167.55115 10796.16093 9334.383586 6402.923552 6380.206871 7137.005319 8005.447421 7385.932651 6522.190503 5086.70102 6644.824877 6979.088604 8551.562175 9938.534557 8608.099268 8680.441574 8409.575296 11375.70115 8493.073231 13047.55176 8364.108947 6662.548803 7378.686833 8893.026618 9334.53832 8633.653495 6983.557484 6262.848065 7353.270801 6967.744758 9908.937676 8400.278387 9329.60348 8796.303743 6782.896407 8542.862175 10267.65317 11381.95877 9828.431815 10895.92013 9725.187228 11169.34208 8218.716403 8965.867304 6509.226969 8374.40559 9208.624756 12628.79112 Guggulsterone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 296.9208636 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4844.784854 7289.032854 664.7294808 3442.98668 1098.351845 1589.375208 210.5362946 1352.654624 860.6619891 507.6332909 377.2115113 4.07813e-08 233.6396957 282.5494537 914.3441655 157.5107968 569.3302111 4.07813e-08 1372.736614 2689.059069 1473.371742 3608.476058 2620.841089 457.3968944 458.4236916 587.6069171 711.6878995 140.3510535 243.6832914 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 666.0811571 528.7904007 363.0602766 1235.702365 170.275267 4.07813e-08 4.07813e-08 2259.59697 4.07813e-08 8167.019368 4.07813e-08 Arachidonic acid 3752.563891 5409.626753 28202.15098 6325.205716 5091.995898 3255.3151 2399.820577 3987.371427 5614.05109 60353.16334 61308.0454 19620.85831 61042.14274 27930.27625 11671.16607 87949.68825 41708.72462 16792.07126 9430.042951 11838.72599 6680.991893 4244.389991 1886.271765 4540.895983 2349.012795 73385.01982 3221.809643 8969.544822 20993.29594 66371.34325 9333.537665 34876.95933 50454.54815 5998.628236 70705.15161 14151.92356 2072.905241 4499.377446 5132.265646 2959.372808 2346.548695 845.1935167 3101.729403 63613.27163 14027.33515 3636.505486 11399.71467 18118.51211 1763.402186 7235.2673 8096.52609 13448.37713 42243.53267 3763.77769 N-Methyl-2-oxoglutaramate 251715.6465 248857.7852 230687.519 213266.3581 188622.4477 169647.7172 160542.5306 267406.3567 259873.8258 147574.4 128802.4559 127087.7862 129676.6202 117394.8727 108067.7077 230970.1088 163527.0746 179033.929 149222.7648 143434.7009 131854.5935 122606.3567 116136.3805 112297.1914 214102.758 210955.9013 183956.7042 124592.6101 141901.6243 141527.4224 136953.7824 114419.2699 191221.9617 153020.007 179664.551 174103.715 163323.945 129146.0609 127237.0835 112217.6288 181680.9206 179489.2706 172562.0808 208206.4914 169418.4376 148181.1427 133814.0101 128268.0019 227536.1587 203144.0051 138449.4398 178788.1776 170366.2362 200785.9882 Albuterol (Salbutamol-4'-O-sulfate) 98428.50178 96847.67702 92122.17939 99871.00279 92578.14236 81161.95807 84887.80313 81548.20372 83080.78418 62074.66246 61762.85399 59755.50775 58069.32081 68252.88032 55039.4248 83593.6751 54120.03339 64910.63813 62566.29586 67094.1785 61786.76757 67145.736 64139.34925 64904.18241 69562.5753 78932.1119 66090.72604 53614.01908 62080.58875 71656.72225 68769.81776 61462.99788 59280.46882 54080.73453 67084.32979 72194.15727 78178.82887 64588.66357 70103.60463 63478.47299 56139.24136 63418.26884 61276.50565 75855.85049 69091.16051 77621.86931 72676.92661 68265.70204 67835.88647 73094.37382 53930.37393 72408.0914 73613.58962 82814.02567 Acarbose (component 1) 218588.6161 22323.28148 154803.0297 161280.4564 120494.1325 63590.45915 77240.3373 74569.20403 51387.63376 7918.095756 5016.220602 1886.064118 7440.730534 1555.027949 3150.820391 267.978683 1450.71533 11906.48308 64594.2542 101192.6768 34009.0223 80404.12026 27785.53617 64180.04044 102617.2971 22087.66747 61350.81479 2005.183657 6758.295424 5675.480336 4701.359276 12279.41446 2176.794139 8871.026524 695.1063765 2369.526338 85119.73016 88066.60499 92049.85767 67279.77532 115919.0508 47140.79421 108761.7553 48005.80921 24233.36731 112568.3811 44030.38485 115378.9844 74554.41408 51799.96519 11410.10347 92826.09211 4059.840053 117407.966 Fluphenazine enanthate 4.07813e-08 6693.070296 1282.5285 855.5850626 233.9073018 3230.40478 15157.36887 3323.985357 223.3644156 24345.66573 241651.7319 8934.774749 25828.66508 7548.98214 8076.328144 51846.96029 788.7770453 18271.12064 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154190.2386 57248.00317 133111.3297 85391.54162 296064.3617 185435.2584 153819.6055 11405.87161 231101.6003 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 252.5190185 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2773.902795 3429.04813 36401.43093 641.3729363 137511.3695 15729.75485 Retronecine 2412.080483 2687.394539 1240.638216 2557.620079 853.3271584 1169.056754 1786.560575 3102.030643 2437.29244 582.0934687 569.4109363 402.0783134 242.3229039 456.8764812 775.0879012 470.2079991 756.474284 252.4701022 380.5722983 749.128789 1289.807762 496.3125688 465.4223864 519.9045418 779.2053364 635.4597144 773.5931123 566.9369712 473.0206899 517.384566 633.1516459 604.7926409 472.6643142 1040.205516 812.2020007 463.2396568 730.0686652 850.7643631 1402.016733 1252.556347 418.185369 417.5162748 454.1065506 560.6500287 290.5637332 367.6903549 842.0885882 759.3730229 1450.277635 2729.407086 608.851759 840.0112746 664.8475443 425.1710347 DL-Glyceraldehyde 2-Phosphate 4848.131521 4843.093711 5003.881552 5158.22308 4675.532354 4118.918914 4142.985826 4027.751023 4837.349762 2813.042627 2766.297193 2837.088504 3026.725338 3312.452518 2478.071229 4149.105368 3009.946544 3300.962531 2985.852499 3402.92322 2848.960581 3433.615186 2974.698504 2912.743968 3707.274737 4053.020325 3690.927679 2537.958979 2969.415374 3334.176307 3777.620983 2864.407738 3111.605979 3105.109036 3552.47713 3479.265186 3760.702511 3044.052519 3379.45911 3062.850471 3011.563075 3384.470595 3117.131414 3853.99097 3634.834907 4111.75969 3802.256689 3411.417518 3977.331014 3195.746218 2900.558215 3779.746358 3955.331773 4260.536647 DPTA NONOate 1206.806177 2044.413068 1694.363823 2673.969905 2009.066963 619.217471 1820.230047 1237.8919 1835.978866 2238.121084 1867.461366 1350.484421 2247.35125 1103.115448 1150.975602 794.8845549 801.8095871 1494.402917 2583.132502 2941.465794 3289.976119 2782.015853 3670.955943 2766.978977 2855.629111 3320.496732 3125.600272 1223.393377 1186.950464 1508.248395 1246.186895 865.2129608 1280.599948 1995.904452 767.9570617 1061.904562 2732.501741 2739.179475 3137.726552 3288.998157 1920.570763 3502.64806 2538.035299 3470.044847 3739.341117 2388.51809 1531.254143 2061.378877 2622.799941 3374.204158 1512.949195 1791.141684 1127.349786 1715.393041 Norecasantalic acid 1123.085632 1277.346879 3898.03101 2395.280621 4379.439567 2821.297477 3376.26479 1899.787863 453.7233122 206.529002 127.0003171 224.9333841 332.8180806 435.9378403 165.0945018 326.1547272 287.3686752 180.5434237 17702.86907 11160.49846 13224.97959 11703.20299 12054.23888 13055.301 14090.22299 20474.81177 17478.90228 231.7525584 53.97558337 261.0330356 248.2416414 4.07813e-08 342.2956839 401.672437 385.6942381 423.5518843 12032.68165 9397.541061 13194.17813 11242.47087 11984.62888 12131.52295 13076.99622 21055.15838 13134.39396 10665.14115 8186.640484 10109.33118 11209.92183 8635.9967 381.6865116 12829.49931 254.1469275 8335.477937 4-Methyl-2-propyloxazole 5181.693798 6064.728054 2548.070561 3723.948365 2142.840834 2232.015823 5635.661673 8488.872595 9995.082874 2885.56984 3394.316658 3372.825681 1560.596837 1590.13761 4351.027922 3157.30235 2375.428471 1260.894435 779.5153074 814.3297478 1347.721502 598.8989538 332.3302186 636.1556766 1201.87958 1083.291031 766.18941 4618.213965 2269.371568 1468.952821 2960.122424 1363.357538 1998.380141 2762.399241 5877.4371 2374.66479 1819.651738 1350.995001 1637.477797 992.148541 818.9036722 600.7119843 757.6438442 1314.06959 471.0037281 924.2455765 3024.130948 1646.499245 2752.04922 4217.734404 1401.917333 2343.900439 2938.958761 1907.238531 2-(Ethylsulfonylmethyl)phenyl methylcarbamate 1304.612914 2774.859388 4135.321351 5834.045144 6004.847194 3279.014319 2619.174575 307.4260191 448.2535272 238.6106262 616.4623454 2254.88381 199.698282 1641.789389 157.3114403 1026.346559 4.07813e-08 171.954503 2684.08654 2725.623845 2797.76048 2394.988859 2699.980895 3117.924812 2603.331839 3806.48489 3504.131561 222.7956479 379.3266069 1408.764636 154.0392622 876.0207565 1177.765103 494.0183905 259.488822 734.9914956 1989.7209 2614.874522 2347.54448 2596.891768 2753.890841 2908.835028 2522.355834 3207.834382 4091.317891 2209.501783 2439.528046 1975.563523 1241.274964 1756.197108 399.1004076 1736.375955 56.70884875 2334.960061 N-D-Glucosylarylamine 8085.034462 6359.578468 6749.927541 4984.121542 5096.604452 6366.286537 8223.858782 5742.515713 5476.884648 4177.336619 4105.11863 4484.029444 9738.417939 6017.322972 1695.164102 279.437266 409.9872056 508.2640149 42400.71714 40100.14061 33295.65883 29459.00881 42846.36918 40344.77465 36617.31542 52112.6892 43824.42462 6526.505474 3059.528355 686.674402 2631.249765 4423.318503 5502.206632 4321.153962 800.9987937 778.886618 24393.89935 30891.7733 27141.33181 33149.4033 32370.24262 40124.84791 34284.40944 48661.76765 91079.06989 27048.99426 27540.24083 28413.57645 25949.22488 27294.79606 7819.35901 27693.68854 23048.43378 32328.79415 Citrusin D 4.07813e-08 13472.03699 4.07813e-08 1078.686194 202.7751489 1.927999692 5426.317919 3023.21466 4.07813e-08 18643.41387 29153.75792 9761.468689 19978.95117 11549.76741 12815.71541 7686.588405 16479.49791 9805.952259 415.6125187 63.98890263 184.618703 92.95622898 31.31948852 24.15226893 337.8960842 80.27175959 149.5986758 7522.74959 13508.82943 28578.52581 11171.13542 27625.32104 12662.19531 22227.95658 8324.10174 5203.050614 1205.251072 11.5347182 39.57553722 126.2833257 51.35573314 130.8480141 5.234033088 125.7837047 51.96235404 4.07813e-08 989.4068035 1758.070408 2932.379093 8825.475272 14367.18497 2622.420813 16008.88552 5988.390005 Pyridoxine (Vitamin B6) 17426.94385 15079.45928 14285.77836 13313.1443 14363.31282 13208.9665 13868.0384 15488.51078 14842.95035 8385.85888 7498.188972 6816.620777 8028.228975 7091.329459 6087.551793 7718.435567 6310.165981 8549.507183 15766.33984 14827.55456 14052.19271 13373.2154 14977.1158 14627.83133 14347.8868 18091.44353 16313.98306 6497.06204 7684.728313 7713.557996 7845.047886 8030.212209 8041.118086 7666.787864 7169.484814 7750.9624 13417.63574 14422.99083 13253.21345 14764.58608 13969.05764 14691.65556 15350.96441 16719.14526 19025.21846 14960.73612 13130.24575 13128.37219 13272.15778 13026.833 8162.988587 13169.25937 8763.356353 15222.45711 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-6,7,8,9-tetrahydro-2-methyl- 5284.71732 4304.519225 6916.810363 719.3915884 987.8127757 4168.394526 4115.035618 7267.455692 10735.60581 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.49226742 4.07813e-08 9714.505169 11148.37374 11677.20874 3999.440843 11249.11623 11565.06169 6881.645822 5631.325955 15815.22251 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.107003726 4.07813e-08 1168.806867 6226.902207 8064.561481 13618.20095 5323.48982 12495.75363 13672.92737 7536.537295 761.1695694 8165.865537 6591.137245 4750.001784 10994.44075 13072.66292 4.07813e-08 8063.08141 66.003191 6882.227037 d-Dethiobiotin 3594.206335 2414.664743 3083.704125 1900.137534 2136.283134 2318.047345 3942.569472 3726.021079 3264.642003 1365.089703 1133.040802 817.0195129 737.5586101 930.7817309 1243.163297 237.6214163 1864.400236 816.6803269 13801.69601 13224.59544 9491.89793 9835.471521 12728.34582 13709.01554 10420.16525 13454.07748 11378.34203 1987.547543 1983.035794 1188.780748 1645.800104 2369.931339 1668.630894 1949.411422 847.2186201 941.7567891 6839.214426 9892.205657 9084.748827 11149.37833 11332.74279 11638.68594 12632.75649 12999.78846 17822.31791 8753.500895 7103.632403 7970.647533 8093.365316 6811.676215 2572.884852 8961.146414 1913.287256 9313.369475 Imazapyr 12723.3481 28231.74383 6216.106381 13393.56095 4680.934189 6826.144273 11845.0097 13015.80585 12241.92349 2873.901227 3915.960053 2507.299434 4203.812468 1523.445246 2667.617653 2465.86504 1716.387165 2794.204469 1904.422498 2416.856219 4640.363581 2466.375264 2928.478803 3104.386136 3688.42488 2962.484812 2389.765106 2733.56848 1661.668043 1149.676273 1918.707858 1245.965407 2697.770164 2353.867837 2326.603769 1401.633672 5976.218927 3784.881572 4648.466454 4989.732551 2370.2175 3081.081559 2295.442921 3296.287023 2282.983979 2689.184463 5850.270093 6180.839057 14406.94353 39962.59886 968.2676331 4322.833871 6117.838989 4165.614649 2-Isopropyl-3-methoxypyrazine 1441.514524 663.4391016 1318.498191 821.644181 1177.167863 1413.491044 1250.180794 1527.989105 922.5335145 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.95832172 104.6882038 4.07813e-08 53.55784703 2410.759555 1497.511579 2633.303544 2709.239873 3608.406327 3395.622834 2300.081759 3290.859445 3275.772373 76.14739741 4.07813e-08 4.07813e-08 40.1489723 4.07813e-08 37.16441991 118.1793071 4.07813e-08 4.07813e-08 1543.275892 2063.392466 2429.031028 2225.82118 2624.432872 2794.907173 3344.761937 3470.692068 3140.939091 2398.998475 1386.509938 1606.141498 1780.018733 1258.215856 41.97891071 1571.416656 4.07813e-08 1597.9443 3'-Hydroxyhexobarbital 27221.75337 17213.42359 23353.39654 20909.66719 17560.63321 16812.16936 15027.49356 15283.45726 14681.92004 2104.028503 1993.573322 1819.731913 2547.310598 3002.530075 2121.656541 2737.879677 2841.821349 2381.234542 16903.54886 18110.0495 19609.09656 18496.86894 14938.54394 12290.25601 18757.28762 23743.81564 14535.87733 2888.945225 2684.556297 3114.608272 3492.291718 4648.583518 3838.056814 2372.215624 2319.247062 2166.975589 18693.8337 15819.25966 15850.02129 14390.45276 17235.02688 15424.59302 13669.46485 20484.26182 27038.35751 14184.39938 13099.31745 12894.68157 14416.08025 11564.19847 3293.030305 13227.79308 2345.26929 13372.61111 Swietenidin B 3714.302026 2292.256191 3291.305329 1995.515873 2684.966992 6040.02105 5504.415268 3038.398181 3058.2148 172.7852609 428.1883064 421.3930181 131.9926894 377.5435088 320.3675316 525.5572774 583.5793774 436.4028899 2856.333311 6769.951507 1813.806619 3348.623198 7258.378475 12152.08232 5403.544041 2482.865211 5060.814361 311.1881201 634.6113388 541.9946484 316.758284 234.8462061 373.8764501 521.240999 725.2404929 390.8710531 3596.849474 5653.137025 2562.982484 5310.485322 3801.847816 4578.366171 12210.42322 3447.72849 3636.313946 13072.28283 7010.766784 4801.844084 2452.19732 1540.866745 224.4840862 2808.616063 433.3503701 10681.67945 Maculine 1496.569907 1809.775892 3043.653889 3474.744519 6253.454266 626.8335012 1696.568979 1238.142277 305.2914611 168.8896508 405.4983923 980.4246888 279.4190332 650.2144499 982.7190219 1337.25164 593.8180675 554.2016499 689.1386748 598.1282705 1483.569545 1581.458457 3899.272363 752.7141133 1939.165779 4.07813e-08 4.07813e-08 994.6517933 499.0228792 1768.804875 709.2179967 1409.160405 1528.026883 825.2052293 969.062697 1399.835598 1136.531935 761.9037924 932.9104084 1855.207371 1594.622818 3290.097076 1039.480786 4.07813e-08 268.2330072 593.6553028 557.4447701 479.7760534 3211.489725 3218.462828 430.3580805 2593.326448 1499.36799 2969.043125 2-Carboxybenzaldehyde 4.07813e-08 11.8479441 2.312502005 0.530931778 4.07813e-08 0.968588383 0.004217444 3.491511182 4.07813e-08 4654.632131 3985.692567 5236.483854 4146.663178 5295.756739 3865.170682 3428.32228 2874.733995 1794.124441 5.737311276 1.093671372 0.801581948 4.07813e-08 4.07813e-08 4.07813e-08 6.80914669 1.372450518 1.05094774 4156.63797 2523.659526 5798.939071 2581.9624 4631.946707 6564.332665 4024.302152 4148.354402 4922.386408 0.080695765 0.718701265 0.305357155 0.004480517 0.896618286 4.685051307 1.107408914 0.430083931 1.815867173 4.07813e-08 0.254408518 0.396211615 1.402560369 2.628402993 4520.608727 7.970594137 4520.647618 0.722415945 5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid 1533.416938 2936.999128 3078.096959 2373.202515 1236.896349 1999.412975 2114.209384 2399.325638 3124.969868 2473.982493 3331.843764 4473.250112 2698.884851 4981.971934 2477.13513 5514.754805 4755.042847 2898.92641 1182.455097 781.191357 1547.896421 1590.695614 211.9836213 349.0341964 493.6121571 1782.479541 390.545261 2840.158944 1962.819067 6150.402167 2358.976354 4149.504111 3326.326544 3507.037558 3887.965872 3239.768936 1563.787861 705.7042089 1261.332624 596.4740447 1166.957612 1013.156642 915.2714875 1235.120095 604.9099553 985.1622049 900.5342584 2539.018412 1364.676458 1622.654341 3172.707197 2859.874971 3501.276294 1337.384231 Metoprolol acid 17431.9629 12273.94973 18955.45744 17034.06328 25625.55556 18857.41588 25423.1796 21252.37102 15323.47283 1856.086777 1768.240475 1239.479381 1273.61568 1373.781196 1502.814858 1702.233346 861.8507805 1124.682199 26145.11209 50114.63313 15949.82732 28327.54915 59287.18483 61241.722 54998.50792 46968.88537 56954.88069 2071.33922 1156.604175 2085.27937 1514.497309 2360.155232 2084.29338 2436.948248 2006.636325 1551.005613 21459.05803 29018.97742 11822.05044 25091.21702 40733.68128 43847.45071 54033.80957 46683.0462 55085.24794 47370.67101 30088.44094 23388.41576 14169.79197 9479.172133 2260.165868 17027.40362 2080.261146 41799.60484 N-Desmethylselegiline 1795.096422 3187.462693 4786.978934 7217.403905 6992.035142 3960.655112 4155.339522 2174.033162 1657.317888 746.5650391 982.8237254 2868.169082 594.1030745 2374.932441 1641.593607 2055.838869 368.9357895 705.7123373 7060.08417 5491.011198 5775.156642 6023.742614 7162.864594 6312.291004 6779.713203 6382.249185 6992.945914 1415.945501 1424.729126 2455.30368 1704.123866 2371.243141 3773.183973 2663.573265 2222.331947 1965.440391 5145.636673 3938.525653 2734.604791 6426.051173 5497.49159 6509.568787 7067.362706 6029.180609 7476.644358 5295.013931 3405.202919 3917.166298 3343.325609 3988.432813 2085.845865 3931.596685 2167.711833 4805.819885 Puromycin 6111.330611 9970.026688 5330.779103 4905.988275 1470.892369 4684.413297 9284.486331 16696.02133 31769.02108 7170.707107 5409.008462 6262.365729 7837.219035 4068.881751 7704.188852 3552.86372 8296.2018 7228.252691 562.7631749 1299.982381 2911.265992 1.399834591 919.9167571 4.07813e-08 1390.516045 723.0044089 2255.16139 5278.957364 4312.785656 2257.371431 5207.402229 4382.581799 4704.727347 6164.62973 5081.913795 3748.895546 1038.825759 1513.563642 1771.304384 2045.877682 678.2807054 853.9244361 56.14285116 821.4057579 1012.727036 818.3014202 6054.477749 6362.352606 6083.326154 15718.05189 2911.426799 5881.373843 5238.128323 2550.803537 Eriojaposide A 1616.679132 280.3161965 1187.712596 314.7321284 893.871989 1308.824153 2444.417924 2009.224082 5276.381516 14108.58847 23893.04437 14326.50203 10915.85223 5480.28354 37574.97185 30339.97656 13541.85092 10452.99103 4039.618655 2905.979913 1948.790708 2600.330909 3999.730543 2882.026459 2893.333235 3916.055479 3616.086384 9650.972517 17889.93636 4719.356227 17866.03268 6327.528262 11190.37748 22381.69305 13360.88232 10893.25184 684.778078 2059.078261 1053.678537 1429.422007 3734.919616 2726.1072 3771.664613 2027.977605 6340.537414 493.802636 1846.567525 732.3434651 1268.912947 2376.518133 5767.673421 2339.056383 3156.055318 2471.69755 N-Tritylaziridine 4557.306815 6848.076855 5618.910037 8425.144232 8634.605251 5909.633414 7282.219808 5738.835014 10398.43259 1101.440091 752.6051454 1059.08249 712.4573399 5339.688777 1593.305934 914.4563228 1381.223265 2334.112412 3497.424639 4180.824977 3733.952836 2318.217142 5594.103765 4171.644082 4488.123386 2951.880169 5575.213022 1362.581987 3628.809977 5506.966606 2249.090918 3314.93925 1416.529432 750.8629792 1611.683876 6038.009346 2388.198107 2789.940716 3947.400272 4678.036641 3265.03412 5860.279988 2955.051339 2491.476383 3576.645632 7120.220862 4868.561061 3551.870806 4900.337607 9513.191805 1383.883021 3583.958679 3436.225451 4280.430392 Cimifugin 1357.47304 1638.151302 2926.114205 2791.027708 4080.631812 1870.52104 4154.368292 1111.267697 297.4491951 238.758407 281.6453209 234.026245 351.70425 1174.740902 439.4597813 134.3173872 354.2762345 257.308901 1788.086347 2912.940859 1258.847578 1129.529733 4292.926627 4407.683615 2848.205268 2437.813959 3616.831464 256.728826 150.5153541 373.0385625 292.2391764 331.7092435 601.1688861 217.5362016 4.07813e-08 119.0421814 1937.816762 1982.565989 716.2196512 721.4309413 1856.355316 2181.544807 4293.600424 2105.563385 3069.309991 2845.908492 1861.205475 1259.977042 500.0526071 933.8101534 103.5271623 941.8239947 0.745798467 3071.140349 Alfuzosin 2262.048519 4914.0571 2199.083982 4990.831372 1922.536605 1702.760495 3451.857707 4245.949236 3362.068427 10966.2184 7184.847386 4774.115249 9591.669586 5032.273048 7866.466096 2837.830714 7520.093769 8780.130905 2586.459987 1930.255075 2632.643153 2079.077062 1989.97916 3271.535983 2432.260903 2313.910352 1906.905567 9442.123829 6978.645428 7369.323258 9216.268042 15314.45391 8975.560208 8685.773781 4061.485778 4707.300184 826.0115702 3981.833092 2678.704778 3045.340127 3950.414788 1825.739945 2894.590377 3332.04555 5071.885346 2361.354959 880.2304585 2458.855776 4058.02111 12799.72759 15469.71553 2975.681392 8348.226205 2817.271103 Mefenamic acid Metabolite (Benzoic acid, 3-[(2-carboxyphenyl)amino]-2-methyl-) 10440.36266 11975.92796 14077.98551 16055.13255 19771.31014 13809.54218 13048.28251 8056.508507 7100.79735 4891.718301 5840.814176 8125.051411 3834.003494 8062.281391 5261.031341 6333.943069 3171.760071 5393.844686 12487.65185 12845.28399 14714.37471 12362.26727 14952.78597 12810.01389 14697.9395 12110.87618 13689.2218 4530.531492 4420.92229 7639.54879 3851.734962 8167.704206 7982.514804 4944.069261 3699.370217 6453.441095 10691.71885 10157.06839 11463.19803 12483.37221 11460.82645 14732.67586 12048.07439 13185.63442 11978.20173 12005.06685 10677.27329 12124.11063 10501.63579 12816.43066 7101.062008 12314.58977 6697.224703 12074.79042 Tecostanine 1025.210741 2505.873256 4847.700315 742.5194755 720.5398528 850.8282606 2356.764728 2922.050835 1009.221795 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 105.1442497 73.07146136 2735.791878 143.7405511 156.4776167 480.8611281 1373.693821 2566.808816 147.4716465 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1327.837676 1819.910236 2605.206653 280.1069297 4.07813e-08 138.0957329 1103.663811 4191.740695 4.07813e-08 4.07813e-08 4.07813e-08 414.0750898 1264.495343 1290.613822 4.07813e-08 652.8037375 4.07813e-08 828.3480076 FRAXIDIN METHYL ETHER 2918.748054 2216.78285 2767.331562 6095.181405 5662.763275 4394.442888 5782.18161 1437.337271 1006.343194 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 188.2473106 201.5164729 984.4035345 2293.063974 1173.839428 185.2142586 820.1355261 330.1728432 617.6004197 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 69.81866903 4.07813e-08 4.07813e-08 161.2904426 4898.859108 1530.90417 1871.745364 1566.146952 1390.626303 514.3621901 692.9257209 144.5758934 751.919018 411.852492 234.6543909 928.2345971 2252.053824 2941.114942 4.07813e-08 1446.642275 4.07813e-08 1755.884858 Dioncophylline C 2605.300413 5032.817843 1103.730974 4934.927105 3713.320836 3876.868291 3173.113698 5229.244604 8239.700314 4174.401415 7424.730463 6623.647627 5588.490383 6096.19308 3309.578549 4555.188888 4849.676466 2410.689226 4.07813e-08 334.7408128 1704.628757 4.07813e-08 67.82096148 804.5870327 191.2818823 217.4851461 727.2650089 3551.65127 4236.690115 6731.959201 2454.237648 5435.399512 3944.25901 3035.066608 3617.474031 3215.846942 1106.294808 931.1598683 1452.480769 607.474258 12.29434847 4.07813e-08 232.5145896 4.07813e-08 686.1484578 473.8596913 3069.121421 1317.607099 3659.878502 7287.664159 5996.990254 364.4337666 8363.578342 912.5514173 Vulgarole 20607.50418 12119.84733 18467.67702 13968.30486 16473.9077 15421.15181 13591.68427 14307.34298 11307.52434 593.5114695 176.0622802 452.9654133 114.130172 773.5539331 215.5691258 620.860565 210.6012922 523.9916924 22121.46095 16706.12336 13266.90207 17571.44272 14438.9116 7986.420999 16437.75209 22472.10486 15713.87581 237.8395835 298.8602679 594.8910612 744.2606126 191.0671572 519.6085581 196.7339462 749.3214132 615.3618626 12980.81358 16583.3865 14407.6511 14228.62318 13948.43733 16734.03672 7184.315568 24527.58225 15250.65461 11682.64715 10181.29688 13901.71927 13224.3765 10065.93135 4.07813e-08 14795.90264 587.8164351 7704.762673 Colnelenic acid 7924.332397 4582.862032 6298.323288 4325.940231 6109.40089 6607.38175 8038.265879 5327.702725 4977.607314 899.080993 297.4263743 771.9875685 1243.737848 399.1408859 399.8021123 2186.155677 1173.005736 481.4853237 16698.33478 15845.28867 7626.177447 13892.27809 22938.12419 19071.46857 17881.95078 17443.43789 18916.07606 4.07813e-08 278.1114157 1348.055736 882.0700961 234.7544917 757.683854 104.803044 1594.058511 1152.664725 9466.335507 14620.11506 8006.615824 18881.97867 16445.67106 20612.59776 18035.02948 18029.0847 20054.56295 14264.39694 7915.446538 10937.61459 9036.177557 4709.244673 598.669978 9456.483148 138.4493577 11567.17544 BENFLUOREX 1608.13418 1785.028877 1248.692256 1099.865116 314.5190929 1284.025623 505.3701792 679.0163751 175.3703306 675.9519577 335.9782554 85.80671685 677.1976599 4.07813e-08 4.07813e-08 9.15935445 91.11741428 91.58606503 2261.924863 2502.690938 2002.373885 2340.537714 2017.58122 1783.205389 2776.187817 2118.703183 1861.239392 405.8854591 562.5224032 113.3946396 4.07813e-08 384.2584571 209.6761097 931.4111973 4.07813e-08 104.1213611 1520.536665 2702.565997 1461.519986 1798.094338 2207.519001 2189.903022 1756.096527 1537.674665 2662.562602 2080.740372 1541.481794 1978.656683 1090.767949 1523.312361 1221.257471 2085.773472 4.07813e-08 2293.873193 Scriptaid 7891.934194 3786.817424 7797.451688 2488.197653 7378.468163 13419.05133 12060.20883 5451.466199 13133.56413 4.07813e-08 13.67725094 4.07813e-08 127.8854401 4.07813e-08 27.27741052 10.78939917 21.35483783 93.1436684 5750.235928 10397.08697 8161.069849 2163.017906 24839.70234 16280.63678 2756.768579 1835.852691 20833.80643 4.07813e-08 4.07813e-08 12.41991474 12.54008627 96.97964314 37.86779499 34.4363719 4.07813e-08 43.24223881 6.378858985 6278.68286 3113.848489 20725.19641 7478.025716 4453.33594 26031.64407 2396.855929 701.9607418 4627.672335 4380.077138 3097.160623 3094.38767 2549.17204 4.07813e-08 6403.078816 155.202067 9225.824387 Fortimicin KH 612.2349428 274.3133969 110.6810403 542.6791368 4.07813e-08 4.07813e-08 204.1360443 4.07813e-08 234.2559587 480.5002992 438.2247683 943.4362014 247.0802208 113.6481685 393.7092252 4.07813e-08 1379.741856 220.4873844 983.4644303 117.0526917 446.3288591 2254.3982 1149.839011 710.940625 751.2925375 981.1779206 858.0000861 690.5088365 733.9462746 721.8600436 993.8541037 186.5893587 328.7719231 4.07813e-08 153.2328841 83.42652157 1078.644594 859.1303835 325.1747759 459.2294745 1693.679009 451.8180789 469.8297357 707.6498493 698.9559159 1234.853616 749.3138879 605.7729511 620.8030771 352.9694223 18646.19175 621.7061676 19078.08717 634.9063364 Neocnidilide 1679.807592 1420.690204 1507.247932 1521.434879 1555.463677 908.8506315 1442.363998 1533.029605 1226.821386 759.7701516 704.5924688 616.2864153 785.8778684 1159.305714 621.7823589 1113.200474 754.6981034 912.2505903 760.8790195 696.0120953 687.8080251 813.758829 516.0500395 815.3492457 704.325043 768.667863 578.5723619 753.3010188 708.7228326 1015.090661 1079.373051 449.3379956 447.4438188 640.012699 2060.184852 858.0670481 1031.198264 525.3973664 1096.079965 925.9292039 749.4041164 713.741903 806.3102839 836.0642531 738.3373585 912.8697805 903.5709859 1277.637032 1003.554139 564.4615605 678.6112096 1497.683209 855.1700368 1115.93529 Propantheline 11993.55999 6957.442663 7839.318786 5650.641244 5381.065589 10437.86253 9918.256464 9643.985154 6551.595718 1163.910416 2412.217507 1202.135535 3152.097643 1040.888335 961.7706458 298.4995885 1990.734278 1784.461824 25286.77581 20113.94324 16040.41766 17479.43207 20927.92139 20735.0021 20793.02515 25483.01879 22234.21434 349.8871996 1468.485291 2212.229348 1853.917604 2712.731437 1171.050062 1669.229684 896.2520678 904.9817597 11714.68924 17120.59986 15025.55391 17095.02238 21518.17281 20390.67126 18445.48196 25636.90678 27819.11085 15786.18513 11305.44419 15165.79431 13108.54359 9317.251447 4032.141378 12433.92203 1191.277853 14722.54969 EUPATORIOCHROMENE 1474.973389 616.9781759 529.9422212 1544.948479 1183.823327 1529.077516 2041.633444 834.1336374 661.3718702 111.1734406 4.07813e-08 51.40544079 4.07813e-08 59.52875972 4.07813e-08 57.71650309 4.07813e-08 4.07813e-08 2095.11222 2063.936428 949.0401141 1806.945648 2307.07913 2316.692752 2345.328986 1804.236507 2571.678079 4.07813e-08 46.77227393 4.07813e-08 53.5690493 50.3324033 47.93495751 4.07813e-08 59.89238572 164.9484576 1684.982721 2443.433586 1175.188651 1622.887629 1518.135584 2044.682446 2938.68351 1610.813463 1933.252136 2667.883153 1793.02059 1076.0582 962.9081503 1079.868389 105.5741406 1028.580334 164.516294 2153.695559 BOLDINE 1409.959843 3901.302765 3587.112174 7610.085934 11049.05231 3879.386441 3361.282217 1013.125176 771.0916052 246.3490672 1194.030214 2249.140511 263.100219 2153.788803 1956.285292 1923.190686 357.7962482 536.7748939 3738.16536 4338.38086 3082.806316 3886.829323 3319.403401 4403.47307 3291.792916 3133.27951 4107.600438 132.4838629 313.1126695 1973.519212 483.1892101 593.3473261 1583.690437 282.4783283 298.3760086 2129.042944 2420.101356 3095.026468 1644.164881 4019.088521 3293.867286 3166.122516 4333.071015 3329.49057 3916.470931 2453.119045 2165.309404 2194.03898 2008.936995 1334.454693 383.9779495 2135.934201 108.4380316 1644.616436 Rosmaricine 6022.193069 3324.854352 4367.070686 4209.440281 4763.861862 5305.080042 5563.815339 3912.579932 3997.161914 760.5935904 611.9034248 520.1326897 687.7222342 329.9708215 462.2005641 0.007413542 170.2570551 351.9450861 7368.890211 8598.506442 4886.30218 6717.427859 7257.866123 7786.996213 7127.741325 7556.405807 9205.476376 4.07813e-08 567.7658918 606.65493 322.9319615 495.8433937 311.2423416 343.2092293 4.07813e-08 658.4489477 4790.250347 6320.817728 4649.045457 6235.31061 7418.895739 6587.097459 6865.141269 6839.532608 10883.61726 6413.637024 5109.792387 4277.288732 4291.132778 3009.342523 654.0556506 3749.112698 398.4333623 5247.813111 WIN I(S) 151543.131 110646.8447 132053.2299 137531.8459 126830.9913 135929.4637 148490.5855 69496.076 75625.45116 64366.5205 71157.05259 66046.85227 60119.8239 74634.27322 76609.78865 39554.37219 43278.36596 24406.43014 325180.3719 309479.0546 228490.0825 284804.8612 261708.6779 299891.423 315356.6576 328337.0573 293249.3232 87386.88539 100575.9731 77422.54972 101913.1845 142418.4962 108866.0355 104177.7947 64304.71125 73783.77665 220670.6117 242092.5624 217889.7267 207194.8476 305250.502 227006.8552 258696.5234 329737.0094 315639.0482 225589.3505 192678.2892 238325.4899 184156.2353 157988.1634 133505.9139 201879.825 127419.7399 230405.5161 3,4-Dihydroxy-3,4-dihydro-9-fluorenone 13665.14417 8506.540225 10254.39317 9889.531669 7602.806714 10829.7365 9468.514082 12474.40684 13861.69762 2508.019648 3325.843912 2156.132588 2692.550232 1750.190919 406.1874224 1920.752212 2609.737611 725.0449902 9078.35089 9778.424446 9694.370127 11431.72712 12630.06582 9187.595325 8116.24384 8862.821473 3791.303316 1038.10064 2151.406566 2336.316484 2793.409452 3763.646139 1686.301734 1334.558884 1036.149858 1335.089096 9097.180205 9099.653773 9931.542474 10124.53732 10620.52918 11023.48781 9328.691306 8712.325703 7323.602439 8073.93312 8339.268706 13078.81379 9277.623177 9513.697058 2977.377699 9622.779137 3164.802988 12590.68844 (R)-1-O-b-D-glucopyranosyl-1,3-octanediol 586.2502772 526.7468728 4.07813e-08 708.6552564 200.9802919 99.73850777 1414.74674 262.3449456 506.5845567 4.07813e-08 124.8524141 4.07813e-08 59.77203667 4.07813e-08 4.07813e-08 4.07813e-08 95.60289964 62.26744693 2369.358309 4257.479453 2754.976928 3438.089046 4605.353578 2579.156799 3865.810589 4.07813e-08 221.1075963 4.07813e-08 131.0621587 4.07813e-08 4.07813e-08 4.07813e-08 89.66316391 199.7343022 74.85097663 77.94853408 1428.921268 3198.197594 2228.162002 1998.301674 3612.726122 5849.287295 1893.025428 241.2853826 880.4264928 273.4910643 1955.803973 3427.668385 1383.789074 1121.412112 139.2703598 3122.760042 4.07813e-08 4.07813e-08 Phenethyl tiglate 2202.576175 2035.697637 2227.167511 2208.55736 2142.406641 2286.325415 3165.800576 2124.935979 2146.2866 1116.516116 789.9908881 766.8505942 787.5986897 704.4084364 566.1533748 1253.372806 776.5622123 1152.030665 2650.750053 2979.308261 2487.750561 2832.355138 3032.699111 2642.574812 3223.830882 2284.973319 2183.448438 977.7244628 846.1618044 961.2536633 610.2508546 878.9200976 885.7256309 1158.136692 1478.74723 1107.220746 2539.066705 2366.316317 2413.576595 2633.625101 2834.031526 3380.185661 3343.786653 2290.331391 3066.702341 3324.685017 2112.156338 2883.672122 2592.257355 1766.016711 1173.804726 2770.247963 1567.73912 2827.858352 simvastatin hydroxy acid 235.1936679 776.701659 326.8755501 113.6515027 188.7810768 644.3340899 672.0700306 803.7930184 2085.482632 3289.641043 6461.523329 12648.585 4238.483042 12895.54021 17571.60824 9801.983545 31890.68376 17580.9167 4.07813e-08 614.3718717 233.4788343 4.07813e-08 4.07813e-08 90.81174765 354.535887 4.07813e-08 119.5435993 8583.262718 3388.220569 25537.24488 6180.500072 18459.56663 7480.669381 8054.428672 8760.019831 20602.86965 584.8344259 355.7788744 4.07813e-08 327.9400911 149.5594107 19.39791262 1.646448585 48.6148449 94.7888857 254.1315613 448.6106061 4.07813e-08 180.2537521 903.0843354 9861.507167 64.86499006 3343.322382 4.07813e-08 Perilloside A 31006.05833 27483.23343 28855.79288 35658.24554 36646.90804 31738.13929 37593.92793 17695.7721 27099.94027 7895.61267 7819.041083 6287.332186 8441.506158 4552.077239 5235.020631 3243.652842 9889.871068 6242.340985 50022.9965 55851.3772 45293.61272 50945.49306 65200.13077 54589.60233 55891.76198 33602.75331 37421.74962 3638.314207 4599.41154 12677.51061 3728.226767 6631.929416 7798.152548 3765.976639 4759.195899 5375.310317 32023.8379 47124.50956 38629.98646 42151.47292 56135.91563 66086.30965 53399.55923 32929.54082 41481.65937 53515.79269 37833.42294 50795.49499 30096.26267 26169.32622 15163.67039 43535.83739 9704.496852 29748.88612 PC(7:0/8:0)[U] 4.07813e-08 11788.59874 1294.303531 3646.400832 205.0853498 255.2524792 203.530062 884.4925671 4656.68598 26792.51921 21880.40159 19738.85555 27053.68621 17981.15315 28201.62434 11996.96672 31874.24402 16947.49017 41.01110449 221.1380644 365.2073096 221.5583861 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36.21494366 35021.7478 14970.78458 23100.88158 13951.30983 18939.7182 21576.92995 15405.328 21710.94014 15329.95445 1254.019221 3.70986784 21.66982342 4.07813e-08 4.07813e-08 190.6111067 4.07813e-08 141.2974851 4.07813e-08 402.6363355 193.0445934 4.07813e-08 4.07813e-08 815.7282779 20013.29401 34.77442586 16071.57555 4.07813e-08 6-(2-carboxy-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 4610.817335 391.2506881 4336.480837 6190.876594 7015.24315 9871.826027 22782.00526 3866.354256 2893.467054 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 125.6681414 107.4783612 2828.11694 8020.811431 4674.149325 712.2560033 2219.643539 1091.519112 1008.749298 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13444.34409 2375.157849 4032.314124 3681.517019 7489.447024 2139.421463 1463.737531 721.0973325 259.6467969 2308.505414 229.5950215 3370.513736 3613.684196 3799.87128 4.07813e-08 2799.966155 84.67611682 2662.321179 Cyclopassifloic acid B 2369.916531 4981.263373 294.7893082 4.07813e-08 4.07813e-08 4.07813e-08 414.4678026 832.6140021 5849.894102 58122.05267 48667.26613 246176.4369 57667.2388 523165.7987 208548.2327 199077.0676 416294.0612 180438.961 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 282023.8956 48124.72599 10546.05664 56727.38216 27405.53387 17559.35097 28828.32395 246162.4959 31386.5669 4.07813e-08 4.07813e-08 4.07813e-08 225.8810236 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21725.75869 1295.199209 8823.01597 618.7927625 87562.44311 2350.691691 11009.47795 4875.86417 Triethylenemelamine 9596.750912 8715.26692 9666.534933 8686.968449 8984.893633 7102.608032 7098.137233 8276.231489 7662.295687 4749.924226 4087.234431 3922.66662 4124.467078 3841.695969 2908.323175 5809.76751 2631.101566 4376.449136 4049.2541 4244.190762 4564.893722 4295.466112 3571.869043 3946.437853 5098.293485 5742.289064 5126.847279 3288.310202 4837.091559 5230.613021 5382.036354 3984.37945 5021.808311 4261.52732 4338.328457 5554.288986 6104.009907 5301.208811 5799.59425 4506.43148 4066.840273 4481.736237 4933.659371 5990.604225 4143.018647 5501.547235 5408.38895 5511.877982 6367.684907 6172.248635 3102.312674 5707.472327 5747.099457 7356.035067 Methyldopexamine 4847.551018 1981.780064 3586.847512 3438.346332 5020.827721 4754.122276 1051.934784 5206.643553 2898.789853 1338.055583 19.66925977 836.6725169 1099.747551 1892.968801 2033.87088 364.4064795 235.6821875 9509.875446 2185.373471 3312.382211 3005.66399 3713.67883 4287.459214 2856.072887 1731.850169 3409.702742 2538.57992 184.6096703 251.7697839 108.4102752 65.67962603 354.7620719 25.89670189 199.6855894 199.762109 342.1856683 5248.720114 4475.107791 4733.448831 5448.668795 4121.8048 2536.288906 4521.891545 2193.795858 2114.357567 2474.039102 6999.530656 1640.267749 3314.491702 1636.193336 638.095628 1521.863462 34.23311717 3301.549558 Dolichosterone 24651.01397 24261.55816 24610.69005 24145.73173 32278.92098 18129.47121 15413.63508 24849.15314 17759.16338 260.3340233 5199.581911 1828.181718 887.4437269 897.5803712 2150.168594 149.7456288 860.0366167 2407.55865 1644.604225 2957.805639 335.6727259 907.2164973 619.1076163 476.9142697 339.6989947 230.1568993 179.7046222 4.07813e-08 220.2366785 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 105.7335799 4.07813e-08 4.07813e-08 1680.129475 188.5709506 212.9202971 469.3095515 1199.937386 212.9262996 205.3657154 4.07813e-08 4.07813e-08 4.07813e-08 328.2699458 148.1087629 175.5460952 392.4898406 127.5848806 151.3195492 4.07813e-08 3564.052786 N-linolenoyl dopamine 1472.396818 795.9865868 1004.232915 2332.57414 1895.571366 2146.50022 5607.234917 635.2002601 971.6189876 98.47955485 427.4496293 4.07813e-08 90.99733958 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 452.0653672 1387.475204 3468.847019 1343.038229 2709.982131 2075.845982 11357.94935 34341.58069 1519.817647 5460.429203 124.8252625 4.07813e-08 514.8206357 4.07813e-08 4.07813e-08 4.07813e-08 225.6747637 4.07813e-08 143.0266177 810.1660106 1967.811806 850.3297912 3204.46217 4503.441634 1662.684027 12110.57926 1101.291685 3757.64523 76390.08824 10825.77698 1798.226795 2951.020637 535.1478892 4.07813e-08 1017.818158 38.14896614 1943.768875 4-(4-Hydroxyphenyl)-2-butanone 6370.607569 3639.315623 6344.968387 8619.253197 8517.800111 11252.17971 8457.893401 7313.777733 2951.429357 258.6192075 157.3399112 51.94800131 166.472572 33.91825162 31.76918457 137.2200128 4.07813e-08 188.7909613 4957.438548 7362.701599 2495.540596 3073.068971 4834.400759 6377.424997 4960.670084 2832.98454 2963.125382 4.07813e-08 189.8247104 217.120772 87.83422064 166.7526813 346.2006463 186.7432424 4.07813e-08 223.1418933 4119.479602 6030.56987 3658.29171 4702.373608 6185.922574 5256.854156 8415.084209 3196.157575 1689.474594 9698.296081 3497.605927 6659.509531 4709.350044 2678.89103 103.1510214 5547.272839 311.5906966 13152.08281 LPA(18:2(9Z,12Z)/0:0) 4.07813e-08 0.605754187 881.8029972 4.07813e-08 4.07813e-08 1015.256218 827.5826707 1481.48312 4083.570225 89.51247746 290.3154372 131.5791509 228.2156905 81.5750357 168.6256132 4.07813e-08 2847.792368 0.18461579 12346.67863 5854.639027 3015.481234 444.1456769 281.4692638 6060.987691 637.9550425 4196.596783 302.8468093 101.9479762 299.9387312 183.223343 102.9749633 252.1039505 202.7342664 317.4015477 110.2658969 4.07813e-08 4.07813e-08 3221.096966 1201.06983 713.714391 4687.798782 4.07813e-08 5172.420671 10651.73841 141.4008479 36477.47546 13368.19024 4350.141657 170.131418 4.07813e-08 1261.696762 334.594381 99.58505271 3798.3821 10-Hydroxymyoporone 13684.85307 14074.39928 26553.12553 32082.40515 19090.46464 30112.33734 23439.85505 11647.39204 26843.76781 9078.180634 5038.312393 6669.627535 8371.005007 6063.327199 4613.575259 7396.026846 2931.308175 4036.605897 25813.10066 26696.73642 21072.03497 24732.85733 22775.61416 27906.6648 21927.04993 19384.29614 14796.27387 3433.012683 7714.528616 14242.18845 8984.724401 5340.13703 6673.815732 8257.167877 4424.846134 14707.99972 22239.24142 25972.33778 23157.0045 15833.457 25534.30965 19451.59539 25327.76544 19011.71079 17589.1298 29852.68483 31449.31262 34312.10434 18603.55236 13783.17228 10070.37147 31086.15637 11471.71789 17999.88703 Sunitinib 53083.11989 62777.48613 45952.70886 69217.46872 56315.1072 54534.83869 64263.8128 32121.05482 26810.7334 111310.7954 71345.48753 77215.98689 103846.4592 91956.69571 136412.084 53307.57179 82307.92851 48010.35622 43659.44988 55922.75341 36313.17052 51972.06276 50810.67897 39267.00166 55138.91493 45325.16278 48906.25788 63333.78752 60819.15112 104611.3504 73851.84185 90771.30245 114054.0117 80059.61877 88089.65223 101274.7413 56078.72782 54332.61898 37734.59639 43633.08454 54894.25242 43407.96739 39710.58707 41643.89982 85450.99612 28648.40645 29196.27517 30813.61943 41592.29806 38671.22925 95596.49058 39841.90449 69066.22709 42546.63583 6-(5-ethyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 61.07366565 8.916348859 25.13033827 36.39331741 28.33675252 50.35598121 31.07982258 68.4867509 28.94173554 10886.83075 0.428591865 344.8168363 10993.56632 10.59540063 4.07813e-08 268.9517068 4.07813e-08 1.415524172 77.34797689 43.50738346 42.00513295 37.03828952 10.35933943 49.04691848 35.5716995 50.31426755 116.3540718 13721.49664 4.899980524 2.84690741 323.7351378 213.2645078 4.09942821 8987.536612 10.44673039 93.17787092 33.67633222 70.53508382 78.30796609 52.10098801 23.34366364 50.70597771 65.54482006 112.5391503 38.57142108 5.394888214 31.71607042 15.30427158 14.5474779 39.00101705 5.261915076 42.60313683 6.006074229 68.37545016 (Diphenylmethoxy)acetic acid 4.07813e-08 4.07813e-08 126.6185984 454.0415468 4.07813e-08 2017.921033 1620.384892 4.07813e-08 310.822045 150.8703634 399.3280584 4.07813e-08 58.41693986 4.07813e-08 4.07813e-08 92.43927626 4.07813e-08 135.9572768 1676.467099 1097.546535 750.9613427 1884.580005 519.972027 4570.29939 669.2575805 5676.212117 1389.595254 4.07813e-08 4.07813e-08 2412.428848 177.8909373 915.9375573 4.07813e-08 4.07813e-08 4.07813e-08 1460.878211 1531.528506 1031.311917 86.30873302 435.7806557 1189.393398 144.2602646 1718.068467 3853.333052 336.2505569 849.9134734 1951.224131 1655.438878 4.07813e-08 4.07813e-08 4198.183358 179.8114356 3340.543432 569.7710101 O-Arachidonoyl Glycidol 19612.35928 39130.81872 51455.4271 13565.67892 12959.28567 49471.53823 15093.26973 89785.58233 86363.72713 4.07813e-08 4.07813e-08 1656.850902 4.07813e-08 1732.869709 2696.857547 807.2261286 5572.274909 3171.274505 136706.215 77161.36124 107636.5758 42406.37101 34728.73927 2737.791028 9349.308691 1537.604751 1996.662089 966.5125136 1355.698042 4.07813e-08 797.0663129 4.07813e-08 89.05360148 1029.424136 3305.469729 1952.363529 57752.14039 43593.2511 116961.2093 89875.2033 24250.54862 38343.49076 3484.13059 1137.269971 979.471569 232792.5527 179911.1738 78286.17501 78137.66947 35342.00505 8030.2673 111718.0606 2575.609298 40117.37421 Abscisic acid glucose ester 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 104.1778223 4.07813e-08 4.07813e-08 4.07813e-08 37908.79962 110.9509863 4.07813e-08 4.07813e-08 747.7603333 104159.4417 326127.1514 924.6821995 4.07813e-08 5.069445219 5.771013984 4.07813e-08 4.07813e-08 4.07813e-08 0.272950538 354.5563627 0.061074611 136000.3797 4.07813e-08 20254.97673 4.07813e-08 60372.62923 52951.0497 4.07813e-08 120595.2967 0.004126169 4.07813e-08 4.07813e-08 4.07813e-08 2.4662103 4.07813e-08 101.2521318 4.07813e-08 128.8883822 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 202.5931755 4.07813e-08 4670.701327 4.07813e-08 3695.846156 4.07813e-08 1-Methyl-4-(1-methyl-2-propenyl)-benzene 19981.16963 19457.2453 19701.41778 19939.11148 18576.90094 17973.06104 18531.353 17878.50141 17943.66589 12587.88154 11876.40855 11617.03049 11781.85962 13079.15187 10959.74202 14400.88741 12393.07115 13289.47944 12849.38651 13104.41 12963.97934 14140.06357 12603.68623 12446.81469 13697.53581 15319.44115 14956.39494 12336.34488 12622.64075 14506.16746 15186.46246 13296.72314 12558.04937 10870.02793 15167.81065 14676.96464 15612.98699 13938.78122 14970.59857 13316.35834 12871.81428 12995.49471 13499.12668 15613.84512 13754.50913 16177.32772 14616.84381 14817.48688 15759.41091 13529.80016 11331.08005 15574.30526 14708.07114 18085.13609 Menthone 1,2-glyceryl ketal 31269.21141 30267.45124 30003.35739 31902.85951 31336.11329 28130.00561 29179.72258 29280.04987 29815.82634 20270.87392 19003.76115 18617.97098 20617.2684 21813.59503 17579.3451 25813.40334 19413.68213 22231.63676 19678.3193 21910.20885 19499.07151 21338.59821 19625.33077 21489.79091 22683.95892 26220.05649 22830.61216 18854.99352 21561.14075 24302.20396 24796.17368 20506.12067 22345.84132 18676.79395 23604.85462 23168.8796 24728.86041 21366.87657 22684.1876 19890.43546 20523.03214 21246.90204 22372.57389 25999.94043 22752.01586 23834.58907 22506.75996 21325.43995 23943.87346 22860.25328 17645.45232 23608.1618 24363.05634 28592.39921 O-Desmethylverapamil 4.099260598 174.6706284 215.8900384 4.14601606 163.9346521 399.9832844 1162.040213 3.765396378 173.7224098 333.5143326 803.1505529 4.07813e-08 4.07813e-08 433.4230999 4.07813e-08 320.9629642 4.07813e-08 4.07813e-08 328.7186028 408.8216967 233.0861641 288.6239278 154.7778845 131.151458 583.3801145 96.84536605 4.07813e-08 4.07813e-08 4.07813e-08 138.8939459 170.3465103 192.8614225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181.5899004 378.2073669 65.6117245 232.3286282 296.8782015 210.28019 673.4895143 4.07813e-08 569.494451 392.8551641 179.05677 166.9800036 101.8843533 133.6164364 4.07813e-08 428.4707936 4.07813e-08 154.442749 (+/-)-N,N-Dimethyl menthyl succinamide 6607.21905 6044.17384 5870.708946 6462.425774 5674.404958 5059.878212 5376.565216 5439.955005 5535.56651 3898.408443 3497.901595 3144.893295 3433.115586 4405.150395 2804.470227 4911.100386 2723.3105 3768.17505 3783.508848 3916.972439 3564.515277 3585.965371 3744.015727 3636.255384 4850.872383 4750.336255 4886.334305 3582.737456 3745.009145 3887.136396 3543.67159 3380.067654 3731.929576 3625.054119 3377.083411 4274.015918 4913.873031 4262.649235 4346.027901 4023.293438 3882.219554 3798.374989 3968.344996 4968.156014 4629.475715 4691.064546 4342.979906 3422.178035 4602.987385 5187.901872 3216.047486 4323.839129 4648.419033 5402.427056 Pentadecanal 15916.94585 15679.55187 13097.07786 13556.02535 13025.72877 10580.58613 11829.89148 13741.52746 12784.11912 7496.809322 6916.49121 3910.870306 5323.352045 7199.747738 5505.790699 9125.658915 5348.15803 7012.528824 9678.638202 9501.417548 7544.336183 6886.973158 8143.558858 8491.984703 10537.7445 12065.62474 10830.07254 7578.927952 6476.601671 6038.741099 6811.171256 8618.838604 7922.350226 7377.080696 4465.41328 8736.42086 11708.84872 9830.067755 8427.789987 8430.011155 7154.305981 9125.239585 9835.60953 11912.36315 8745.018566 10259.07623 9747.184549 6971.917324 11105.48715 11991.22174 7286.880773 8889.719837 8114.212921 11634.97606 Methyl jasmonate 21678.63416 18622.67107 18781.37835 19224.17656 18620.7732 16910.8127 15931.37635 17394.90626 17731.41314 8723.926662 7797.418886 7331.779196 8438.648493 8677.233364 7820.527594 11038.51825 6925.353759 8193.726836 13027.71485 13190.36053 11814.80628 12324.02952 11423.41925 10970.75503 12985.16267 13715.95699 13313.50648 10334.62713 8139.14728 9596.99763 10959.61758 8083.84295 8429.067489 8176.325441 10482.18971 10718.10871 14652.74342 11502.93709 12274.14036 12260.05494 11230.64591 12757.53705 12880.06239 14217.51016 12914.23533 15419.39404 13948.56347 13740.09474 15808.9325 14695.0555 7491.575319 14786.30663 10203.77668 17814.76964 (2E)-hexenedioylcarnitine 15836.08836 12793.80196 15980.43191 4727.261943 3146.945697 14716.44324 3036.066254 30277.21462 33214.37258 255.5241761 4.07813e-08 1389.233296 82.84569733 3389.364404 3956.078116 1369.420032 25430.40337 787.2293312 25846.09009 14049.42627 18014.68637 16803.57215 3997.210874 205.9111223 2260.461059 231.1058728 52.79281765 3432.026095 4791.166885 962.0326225 7513.173192 7452.836408 1193.958053 6507.684619 9545.714263 1165.657031 20862.40915 7983.040718 24214.64795 13819.81058 4239.954838 11845.30209 315.9521185 55.53260529 185.4133581 55844.7439 77393.99801 28028.57918 32710.55204 12100.18982 5496.1818 33169.91861 960.0352624 5197.89718 Pentadecan-2-one 15789.27299 14476.00566 14747.96884 13139.31344 12373.01017 11884.26086 11219.32375 14472.91479 14056.43094 8592.59362 9156.213773 8109.186261 8271.098842 8706.503172 5542.003438 11752.33875 6921.529729 9620.426747 9333.997924 10437.29534 9283.959033 8779.5769 7689.228208 7439.587401 10654.70999 11222.25901 10964.17503 9003.031713 9942.153326 9368.506268 10369.96023 7890.222537 9517.379212 8749.785518 9538.677415 10772.14977 11712.99728 8769.943307 9604.647239 7781.596477 8336.207601 9806.570294 9937.853902 12432.35733 10389.83344 11605.1848 9923.626804 10198.45816 10499.46859 10876.00613 8013.790671 11411.93873 10749.95714 12861.7712 20, 22-Dihydrodigoxigenin 1967.362727 1130.269819 485.2128882 2227.395556 2876.417479 3822.523339 2112.329315 877.5109598 1117.991573 4377.298788 7690.367143 3420.697462 3347.930685 8300.599602 9552.692478 4635.704655 10228.21943 10572.4509 145.3774784 477.1191346 294.97633 1431.007056 1747.523043 1055.451841 751.2328745 4.07813e-08 0.488354537 3264.032674 4831.816782 3707.108816 6006.725431 14742.81113 3086.412514 3847.154278 6013.215166 3895.143933 1531.327778 1189.073498 554.8113098 2225.923052 2082.797554 560.0652512 1790.447681 4.07813e-08 574.4698388 971.8659074 1219.411926 779.9340109 4.07813e-08 806.8152023 4774.568755 1244.229872 5097.6414 1263.130732 1,17-Diamino-4,9,13-triazaheptadecane 1066.811269 122.6262022 2351.849687 945.731635 960.5097768 3458.704195 3004.64519 1160.88913 2334.127138 550.8169651 1065.44486 968.7041649 590.3838562 1401.29992 735.5503893 2935.229287 596.8742517 697.0653777 1134.207575 723.5744836 756.9069343 2028.673376 1174.195014 2297.475256 889.5718005 1078.515722 946.832527 712.7323386 276.3977236 7334.104448 1524.696002 6252.810477 1524.356764 1933.537913 1067.982877 3511.624564 1543.001492 1194.590413 1720.790679 614.3205831 1342.802312 715.1412058 1021.080928 927.0321177 403.3719029 966.2346006 1278.966047 1078.904037 1239.567071 1231.647298 1067.709223 1170.587441 1610.250117 1417.865543 Persicaxanthin 6977.639353 8427.742026 10402.03557 8834.784768 6562.410106 9944.535687 8027.071951 12569.74059 7996.862894 240.4229147 74.23915551 86.83325341 4.07813e-08 289.9315616 233.0528419 4.07813e-08 2.978275481 4.07813e-08 130.8928977 533.7120262 226.7962463 436.3843757 609.0273331 711.2045788 576.7390474 260.4903534 2283.669163 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.327766147 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 755.3174288 451.6093778 435.015338 611.5519735 1136.110919 4.07813e-08 399.7684582 4.07813e-08 674.2086507 136.0861313 509.4657164 5.299708128 127.816919 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3099.461805 (S)-2-Acetolactate 3235.911342 3336.367259 3434.271533 3571.483241 3389.692612 2765.044743 3083.848451 2774.18268 2952.460068 2189.322256 1925.455895 1917.057297 2267.00163 2679.268156 1723.082365 2641.612464 2168.740869 2635.743237 2257.663839 2431.987354 2032.741253 2811.425554 2069.490525 2581.523479 2888.303178 3068.364588 2776.657124 2455.748403 2311.636904 2557.261572 2554.688305 2279.527255 2388.843793 2089.818658 2516.675792 3148.079423 2715.819245 2245.053986 2560.261415 2005.96102 2444.895573 2702.969694 2404.599406 3709.003047 2821.093187 3195.667882 2416.527992 2810.826105 2575.942712 2725.402279 2058.139077 2577.015849 2753.299779 3559.325275 (3Z,6Z)-3,6-Nonadien-1-ol 14175.04211 14568.6933 16556.53926 15533.59939 15734.82937 13287.26569 12379.57759 13451.1686 15422.7128 10030.30636 8518.918411 8803.51398 9812.650116 11241.0258 8079.683856 12766.39797 9832.427479 11702.85157 9580.390617 9977.693892 9503.14598 11373.40204 10013.74618 10605.46429 13824.74264 12788.26589 11699.03661 9736.615898 9811.592389 13161.36512 11713.98405 10152.32815 12059.76792 9162.328626 10243.09901 11797.56626 11382.24326 9734.140027 10590.69444 10135.16381 11418.39047 11452.29294 10048.48307 13768.91754 12245.32134 11392.01692 11333.9658 10889.98337 12226.28182 13432.28762 9669.855978 11513.386 11212.33348 15141.14028 Allyl tiglate 4073.457856 3727.586852 3708.24225 3606.218271 3622.871772 3171.519692 3427.340888 3933.149607 3768.237091 2414.465793 2453.014757 2076.803186 2344.150971 2854.265998 1883.928705 3378.537495 2793.294317 2944.359735 2267.190898 2317.636148 2160.471389 3020.402669 2270.020591 2674.599756 3806.155644 3560.638729 3031.809105 2635.389645 2486.520606 2917.787617 2636.473703 2402.871771 3096.629265 2228.210923 2710.855848 3590.388534 2744.532588 2560.43909 2835.561256 1941.169149 3468.705879 3308.005973 2622.488021 3817.014587 2726.194891 3152.669317 2567.125565 2723.838516 3295.434948 3427.083942 2367.163952 2743.96172 2784.00047 3537.244907 2,6-Nonadien-1-ol 3755.537429 3841.735913 4290.945796 4177.047409 4219.98017 3277.254275 3498.411237 3488.918179 3647.56311 2662.473541 2500.921078 2488.388829 2627.901445 3235.281851 2109.043053 2966.255006 2733.949652 2846.46997 2559.118233 2615.819301 2188.733197 3309.185992 2555.740014 3091.359943 3671.736644 3744.567592 3013.959449 2874.182698 2760.943387 3381.718645 3032.265023 2622.356791 2757.587607 2282.783049 2399.843554 3764.372088 2944.014357 2604.558024 3032.8389 2061.742595 2885.309031 3263.979547 2639.875717 4477.164215 3295.537803 3368.522155 2735.737157 3031.966512 2681.896581 3193.786881 2352.772371 2873.809034 3181.780472 3727.454798 Oleic acid 53973.72766 51465.42762 52417.08851 48892.7208 47714.35251 37691.99969 36235.46169 51807.64757 49092.70313 35173.35483 29120.39955 28412.20424 30561.68449 29109.38394 21593.0813 48592.18296 32664.02403 39491.58892 32105.42152 32326.28613 29132.08078 30398.0129 29510.06387 27619.81938 45627.86167 45352.42915 42735.39765 30507.66676 30076.30109 34082.9812 33144.12689 25528.00238 41667.65148 31864.66235 37112.66089 40452.84529 35571.40211 29578.29727 29802.30154 27108.14004 39535.81452 37276.78307 36451.22601 46223.05603 38039.28415 35086.1447 30599.46429 29972.03326 43188.37912 43952.34728 33656.2659 38771.50138 40896.67448 46439.87812 Ureidoglycine 6826.760234 12612.83919 9558.234838 9959.468281 8482.387614 5472.241978 7661.006679 10824.32208 7927.303961 2533.75699 2918.803303 5516.524066 3558.068191 3613.737369 4838.352774 711.3623511 3809.318376 3746.346708 6788.320955 4536.300217 4539.401596 2965.132532 6820.614869 7524.600039 9824.035751 3621.348904 4487.388088 4100.149469 5423.226079 2027.440093 2417.799321 1753.486905 6860.19836 5777.462353 5497.407287 3628.079973 6730.874911 7319.369412 5884.479583 2677.689838 6123.028638 7148.398405 4245.642224 6119.75365 3687.270055 6491.631825 6683.671626 969.3499855 6507.690855 3077.102377 4943.642868 5106.338257 5145.716203 3732.171061 4-Hydroxy-1H-indole-3-acetonitrile 8507.649734 7155.329282 6637.356285 6817.460552 8590.970574 10098.35928 12884.60286 8179.215944 6270.483969 4230.364959 4428.001592 3746.412919 4174.854891 3746.368508 2748.443119 3439.135831 903.0291808 2284.886945 6506.034658 9595.435566 8950.731591 7545.895261 12594.59672 10279.35616 9907.358279 6998.326231 12510.99747 1.447873394 1839.582821 4068.369668 2903.72814 2598.220952 2859.321967 3606.148252 1127.082729 2522.625668 4377.544828 5617.202642 7051.759586 12544.63627 11695.44727 13577.98711 9252.76987 5657.099247 12115.04212 8686.434972 8442.564925 7895.710127 7663.738758 8319.025602 3378.523084 8897.450718 4715.622269 12111.95048 Piperazine phosphate 1041.250143 1457.490863 1563.10992 1631.576111 1194.457316 898.4988673 709.4870141 4716.124317 8493.11254 29732.82383 20311.39422 18651.65919 29382.22937 17880.56752 20157.37173 18437.29876 11455.70828 30436.39053 3580.638635 3884.713352 3688.08734 2065.571438 3309.778896 4134.323558 1857.278754 2308.917419 2472.827683 18666.7393 20662.10339 27880.99354 18750.72987 30418.37646 29680.16244 22962.1159 15155.87038 23716.02159 1401.191181 3194.560319 2787.929659 7682.416946 2979.441003 1988.345577 6129.258079 3561.585844 1664.833436 3470.258501 1375.081616 3995.270525 1385.668678 2678.875905 23725.90563 2980.649552 25391.32352 2542.526214 Nitrilacarb 4.07813e-08 1947.133631 4.07813e-08 4.07813e-08 4.07813e-08 232.422927 1373.294633 1572.755606 368.3992014 16451.21117 17538.7733 22974.99328 17541.49335 30922.93894 14143.23831 13578.79794 8868.495512 17821.2561 1095.098797 1705.041201 475.5239585 1019.45632 747.7707615 813.1175353 636.8592019 997.9645426 836.925936 46180.65376 42461.83582 20138.91686 24924.74563 33165.34175 16957.00144 23760.05219 15308.24058 19932.79692 498.5248297 795.8319576 1362.64174 783.1794027 1353.559778 2196.809483 416.0095086 4.07813e-08 4.07813e-08 861.8601655 605.4397697 804.6321775 4124.100459 5371.309007 38387.57983 2307.239431 21300.79277 4808.623802 D-Glutamine 8893.930371 17224.59272 2755.188493 7335.353971 5680.637052 3502.330221 7254.102403 10083.94148 18134.12572 6753.71798 29589.29864 7297.634523 9574.746213 5328.540757 10067.8652 21314.99017 27255.36118 9082.951551 4.07813e-08 4.07813e-08 416.8669127 372.6747357 639.6443512 387.5079028 900.9499842 4.07813e-08 4.07813e-08 16269.99534 12744.17575 18536.1556 16463.49907 5418.324792 17686.74434 6504.552828 36126.27425 14041.27345 1253.526714 744.9938538 693.0450381 281.3778822 417.5024275 720.9677792 73.84739659 4.07813e-08 1012.93967 1101.099511 1419.928503 2456.258438 5567.861685 6852.924016 3326.1232 3328.98907 35228.34301 3237.439394 AMPA 45035.75264 40649.2564 32983.00716 54676.63486 31341.96296 28911.5802 34985.45959 41412.89719 54482.22518 24809.79558 72642.45187 36105.18304 25027.79178 19302.63911 30107.56992 37709.80129 17475.09399 27599.56558 25489.21323 28013.24792 27254.40261 26832.72126 25759.95203 28763.35324 24716.16863 26199.14714 33834.90267 49012.09413 33980.76262 21191.08988 33977.45388 16512.27371 21339.76246 36731.55851 40180.7754 21979.8486 26215.49124 27485.11046 25024.80065 26082.56379 22942.52609 22140.15368 22858.9045 28471.67828 30376.77998 17321.54828 22407.37421 18645.76537 23660.29632 35214.68613 19030.37173 18579.92291 24148.83968 22175.21014 Serylthreonine 73151.33779 109058.3272 58952.96854 79769.68597 50247.98548 55094.00211 83746.7042 80569.85993 91121.75777 127225.5261 113888.0656 95657.58013 115389.1904 54024.85953 91127.76044 82847.82679 56991.43358 137313.1869 35453.65381 113908.5294 35100.821 32189.07189 30589.26726 28666.54711 34859.85803 53828.71278 38948.87789 165147.0106 113279.6172 99974.33939 94078.41746 96527.22694 99697.30664 147627.6105 71866.87212 67481.86396 55894.76023 37935.73882 51410.96732 40521.70514 35802.08657 28470.24004 20141.01776 59080.43283 34236.60324 19639.62024 41062.30542 43127.70988 67011.08152 107706.636 101039.0922 39494.92077 103329.717 42622.97554 Bis (2-hydroxypropyl) amine 51840.03187 38874.75019 41050.88237 32790.66153 39953.63639 38688.8941 44237.5374 48669.6241 39930.15391 34559.9357 21451.72115 42233.67591 32645.07852 23294.81731 25620.21452 14079.89188 29962.63108 28836.74153 47448.30022 39158.21106 41103.50285 40619.23285 57349.71183 44626.79057 47089.51023 49335.62656 54426.59162 20954.62262 25452.89794 22303.06647 43743.12985 25979.45065 33726.44015 40366.23648 9136.10721 30411.87786 48908.64154 40887.27398 43546.07279 41917.30632 41078.33168 49828.275 42176.31097 46317.58416 58107.42112 50336.88814 42456.38527 38588.62684 38281.69826 30174.41153 25009.62011 37974.01731 78515.7723 46704.78806 D-Xylitol 4.07813e-08 317.847257 1870.335494 1268.323588 377.1020029 1668.274573 3243.868495 2579.165863 509.396561 6167.915591 5713.315442 4991.874856 7139.617421 4595.347979 3231.043462 4432.992364 1271.162342 5338.322815 1117.33439 977.2063598 1205.117442 1089.785292 2327.128294 1303.201169 602.7585681 1694.560844 2550.17296 1121.448609 5382.374277 5699.357693 3088.093113 5354.051832 6006.552201 4720.39923 5270.152491 5434.612069 4.07813e-08 754.9466222 1213.521273 1335.395614 819.9209235 653.9863392 667.3311877 2782.705608 453.8400241 1828.72876 496.2429521 831.7912087 231.7504559 554.7870769 6439.194398 460.105001 2662.622701 418.112664 dimethyl (R)-pyrrolidine-1,2-dicarboxylate 91494.33789 92087.72125 70049.45309 108605.7122 91727.58134 97428.90546 91093.98935 121778.2751 106914.9946 49101.58608 52471.08488 46318.97769 50604.65138 32689.13041 40476.92927 34114.63858 28680.13262 32479.89646 55046.8939 45326.07525 63519.92606 44331.69064 47248.23626 68774.09391 45962.11648 52890.28491 45313.64793 61352.756 55823.34264 54836.7716 44077.47472 70799.50652 68915.69947 69829.65068 48586.22609 45147.11521 73608.14625 57749.39346 64880.01008 65599.47505 42669.8482 49355.45344 54923.98818 50568.31851 49192.02 31214.35269 44492.67785 52522.40907 75782.01729 103825.6524 61243.25636 53501.51582 57200.47124 49619.99566 2-nonenoylglycine 7390.607023 45665.5109 6653.817998 6471.581374 3833.402952 4053.051066 4612.182517 5811.10916 7323.826219 36033.44085 45477.48342 5223.904135 45958.65126 9096.12348 8133.591375 7050.362278 8523.537076 8280.875932 12167.92567 7432.133915 15379.2669 3615.179617 4321.767803 9518.564635 5278.318789 9004.33705 5540.280629 12690.2833 9687.885741 23700.97549 37213.68711 14015.97058 11351.17538 109631.0507 9059.310373 51859.0807 25216.65706 6614.224427 11885.49638 7608.524491 3618.735576 3842.782625 12592.48045 6705.900324 6068.130005 45042.41244 26831.32779 10417.11902 18719.55915 48745.228 26905.71075 18812.44923 44719.74534 15931.76916 Quindoxin 12032.19547 10709.70214 14075.0008 13609.50895 12172.34299 7878.790026 10688.23674 11788.74965 10112.96539 5321.966257 5587.814764 4030.880616 4024.091211 4640.509261 4260.810396 3099.970377 2857.643808 5467.279887 21048.14905 13042.05247 12266.50728 13783.53735 23372.93463 19043.74667 14089.93604 12572.80583 13240.12376 4273.044703 4660.371389 6724.022765 3724.765781 5069.259738 5732.371257 5754.116792 2639.737504 3942.922967 9833.163302 13229.30311 12252.79268 16944.10553 13455.96467 21349.17729 18678.49661 11433.9055 14389.7353 7064.506083 7902.863873 10692.55501 10855.25124 8572.767897 5832.045853 23302.72776 4720.376171 11416.43609 D-Manno-2-heptulose 1228.809241 4.07813e-08 150.5311705 4.07813e-08 4.07813e-08 73.78187494 4.07813e-08 1760.447524 4.07813e-08 185390.7516 206849.5998 117517.5843 208858.6404 97387.32837 142088.6248 98659.54559 119200.9509 131585.7435 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2260.324535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 135682.1477 173008.2387 183389.6313 115645.6867 196368.8915 122571.4655 143967.6798 61929.12775 166949.8833 4.07813e-08 60.63735951 4.07813e-08 2315.303428 4.07813e-08 4.07813e-08 816.7471788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4201.510147 198626.4776 4.07813e-08 211219.3735 4.07813e-08 Histidinyl-Valine 4.07813e-08 4743.116845 4.07813e-08 869.4086683 788.0685729 4.07813e-08 2013.980505 4.07813e-08 4.07813e-08 25542.01798 21094.67171 10700.28833 24586.14971 7906.076005 19177.30647 7328.260618 13591.79257 22680.66288 947.8098262 1862.226868 1075.661758 4.07813e-08 4.07813e-08 821.1281339 909.9564154 665.4365087 386.0786095 15713.64677 15562.0755 10142.7178 15077.27143 22449.62293 15032.27825 21571.44252 7457.124032 6878.040398 4578.14119 791.0571138 475.8079377 1204.745001 737.5497398 418.1083196 624.3557904 724.7162628 1012.872936 475.8289987 4.07813e-08 4.07813e-08 4.07813e-08 3159.217751 20744.21912 4.07813e-08 19058.24838 1197.504904 Leu-Gly-Pro 5216.140938 10257.98254 5026.383913 3465.649721 5281.674317 4445.631817 3544.935369 6063.828699 4368.755863 8734.507027 7677.234494 10842.01335 9230.59503 7472.265907 7875.615386 4715.855969 4259.162905 8959.723731 12798.50387 6327.500557 7926.187977 8350.502576 9150.157809 3429.198905 10076.88239 12595.36747 8409.047433 10043.00129 10863.88918 8384.337929 7174.969448 9755.325828 6930.328643 11857.3559 5408.953519 6488.094215 9212.925162 8456.706381 7072.558976 6931.326817 6441.06852 8969.225022 1813.330405 11763.73628 13617.47364 3190.3715 5477.715802 10602.48691 7768.272313 7476.221043 9705.958967 7569.979683 8868.955348 2745.841413 Aminomuconic acid 12750.17995 18368.22225 12305.82473 10360.41727 14191.00681 8094.713655 15031.51896 13037.56611 11188.95881 10921.97162 10145.1977 10808.05244 11294.09555 9205.002568 8090.332837 7828.850418 6738.377351 10577.01841 9371.839548 6243.412825 9049.98749 6070.739909 3894.220729 2585.467986 7226.805078 7836.839363 6534.928771 7369.543191 8741.355081 7976.038138 8007.647115 10281.57419 9709.243159 10636.21786 7503.023755 7449.623934 11660.40224 7680.035399 7243.385456 5363.874947 5999.758568 6683.955837 2908.068948 7787.5181 11733.44533 4330.715133 5956.903583 6367.766111 14223.12538 16244.68888 11773.60409 7299.903915 10071.21811 9453.732126 3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione 26815.95708 17374.79986 16786.35597 16258.04159 14850.37531 7014.343353 7999.475888 13279.70944 14611.03866 14850.27145 11776.4641 9456.135058 14842.0288 5936.433782 9550.876375 5638.104222 4021.127672 11678.7099 24089.38603 11987.44653 23740.13792 23630.31997 9749.352989 7245.17035 14603.77324 24775.79119 14755.04518 9866.248371 12158.35332 8857.042998 9094.957324 11472.84262 10855.61064 14454.81402 5231.126282 6833.696703 19898.43769 18444.51161 22845.65932 18709.23692 16460.95437 16538.99028 6586.100076 24277.74964 12663.79593 8164.649375 7410.098555 8760.247146 18561.07312 19579.57098 12444.81341 20808.05034 10676.81031 7811.558847 (+)-2,7-Dideoxypancratistatin 30171.25735 62474.2643 14132.93523 36361.97873 17942.24284 18148.21763 41881.80874 49244.32338 46562.18917 19952.86913 22344.97185 43753.54676 18374.33393 6340.70662 29999.25577 27938.2279 6188.731785 10961.46868 3900.738594 7170.519914 13888.13126 6698.432776 7673.65854 5972.644231 7107.154694 7949.5101 5701.226615 50411.51482 19744.5829 8051.523347 22713.13687 6937.038816 14613.63067 26346.36177 45445.9602 15840.62252 8127.09887 15387.20327 12690.63052 9949.864864 3882.86827 4590.274618 4348.338327 5969.599767 6952.786803 6365.842857 20696.22832 8456.017598 28102.49816 50713.40315 9823.349406 14137.96577 28309.65703 10353.21966 3-Methoxyanthranilate 12279.09478 11168.09959 11152.24307 8043.546499 9824.514595 9398.651456 9405.697226 10029.08466 9998.059196 5408.703558 4225.685578 2923.79087 5528.470455 3050.627999 3870.199378 2824.004292 2278.68116 5411.367332 17305.62525 16421.00828 15908.89744 15958.16841 11666.40994 10958.33879 13747.96615 27045.49206 18934.64211 3892.967439 4826.005276 3828.700686 2913.728572 4046.363413 3688.06147 6831.327829 2928.309709 3499.292181 12410.79805 15860.1335 18294.40001 18012.16346 14148.47904 16614.38589 11594.99297 24941.5255 9485.490602 11888.01368 7738.041011 11300.04673 18457.54903 17579.49952 4859.9405 15504.15538 2940.186444 10729.44361 3-Oxoglutaric acid 790.6849199 330.9975524 1156.04296 552.1709569 1018.703237 636.6160159 464.8997004 542.7447035 695.784875 717.0614879 770.4082728 324.4793015 564.3563276 791.8290276 182.0873549 613.9605669 622.5152647 520.7098926 646.9445149 722.0863914 527.3461423 841.9124266 537.964901 674.9148364 455.5197928 825.2452157 873.6896442 217.1787908 586.7371821 568.1285492 705.5619895 486.7915572 409.9763778 456.1994191 650.1369028 640.8307489 945.5512325 581.2776298 842.3956856 881.7560448 695.5473938 739.2304152 490.7761731 675.0725162 934.7811721 948.9902376 605.6796772 631.4903327 712.399079 153.7024103 528.9782532 556.4347666 447.8280012 1013.308635 Aprobarbital 7156.062377 5941.224771 5097.638194 5563.263178 6700.508581 6860.450687 5630.001294 8552.930379 6057.947787 2394.641898 2062.74032 1498.074895 2050.393121 1062.801187 1309.901092 758.0333681 799.4871288 1748.421093 12102.50687 11008.29061 8053.809744 8664.590975 11577.62682 10261.66367 8698.656773 15314.2481 13988.17797 1667.798563 1609.885667 1663.791834 1246.803418 2182.293234 1568.054489 1919.33027 930.8715995 1166.220754 6515.36185 9701.806264 8860.883048 10253.40404 7678.780937 10550.99915 10014.58934 11736.68081 15786.06564 8590.926094 5290.610338 6414.927729 7854.456467 6795.053339 2474.906919 6844.243503 2091.160629 6997.152077 PIRACETAM 1197.971918 1083.084619 1158.000816 1013.130483 1186.098655 727.8739132 790.7715394 4.07813e-08 1013.792117 10369.42687 19512.50749 22277.18765 9082.52923 28388.07055 9982.159094 16584.78594 6532.118593 15474.11335 2619.380264 5101.607976 1976.006231 1665.664001 894.8741418 3064.76127 2042.814951 5626.239472 1474.267332 7628.956343 12033.74587 18229.04155 9550.761617 8596.34872 8485.121396 8242.178881 12027.08058 14170.29307 942.3597421 1218.56946 816.4980259 1338.761813 617.2204796 795.1348355 1439.238366 5630.326926 1449.016548 1820.141912 3253.48042 770.7642401 374.6078214 591.5454681 6241.594459 125.3897702 12576.31907 950.952376 Dulcin 10451.42846 7602.139282 9413.62356 10552.2988 8965.683376 10265.46453 12382.4551 11126.16218 8554.965297 848.3084248 825.6265704 1083.929772 1581.959023 1073.190555 880.2845645 445.4932868 463.3379098 1085.027842 18130.89152 18396.43068 14845.83442 13512.36024 16704.60779 19181.52251 15119.61984 22759.99327 20347.06927 1011.087873 1049.124106 1518.228034 1732.067425 1536.800159 1504.449121 2837.762896 634.3848692 1514.64158 10780.56771 14869.56876 12985.27368 16409.26254 13398.71429 15695.67243 17549.60795 23928.92162 19401.02959 24581.08482 16256.60865 14866.54454 12560.1092 13082.03938 1767.345138 14178.57208 2235.758262 15383.79348 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid 2429.540618 1348.071434 2712.987772 3935.61602 3560.600711 2439.87381 2343.008299 2230.940011 1957.614002 1193.620888 1214.811551 1207.53412 2328.286544 119.0048516 163.9376116 4.07813e-08 116.1905114 903.0167952 3136.249844 2800.474303 2895.57265 3117.03433 3468.221812 3525.553365 2706.322614 3122.505249 3068.404703 485.8132697 4.07813e-08 2073.599858 119.1007994 1046.299929 576.7093156 650.1501576000001 69.53456142 1430.059782 1895.4153 2475.057835 2982.825755 3321.088327 3178.545205 3554.987711 2660.828584 3700.196981 3002.819882 2503.706588 2183.314278 2368.975037 2675.529824 1560.607393 788.7773563 2364.603261 456.821658 2302.750353 L-Glutamate 5-semialdehyde 3659.89265 4004.600341 3332.81114 2766.317701 2820.803062 2310.315104 3392.558597 3206.767322 3566.570606 5429.666183 3686.174869 3089.471283 5290.127807 2358.482299 4505.136785 4443.634591 2981.234315 6249.789406 1921.02561 2005.77588 1938.113345 2058.013134 1980.308831 1937.186717 2315.173949 2827.703856 2433.679697 6686.229962 5160.053773 3336.467936 8286.479718 3417.552606 4522.292159 9646.936933 4205.175537 3938.24056 2883.330915 2140.770926 2231.379909 1891.255194 1935.757113 2130.285549 2114.731486 3136.901306 2252.312484 2359.598016 1989.404201 2592.521282 3219.166425 3501.770524 5683.061931 3125.982859 5906.469073 3080.638137 L-Tyrosine n-butyl ester 2922.437314 1521.497215 1863.271213 3362.096506 3225.394824 2205.166271 2479.604801 2385.721804 1837.989904 511.8136212 286.062578 378.8378674 295.4320552 509.624146 327.7995997 666.6117997 564.4609779 504.5343851 7412.198915 6711.302233 4605.800213 5844.233389 8701.21054 8049.027933 6122.832898 9855.601694 8339.117065 489.3025861 530.4813831 513.2892231 486.0683445 544.3032722 619.3647636 619.0951937 562.2732986 524.9514304 3642.181836 5762.24481 3653.052566 5163.245914 7621.544116 7203.922216 7936.695125 8956.496797 9405.063655 6747.779528 5064.960129 3493.550621 4048.201327 2625.902899 469.2458289 4035.308 750.6139371 4947.263788 Sotalol 654.3864295 1109.551094 4.07813e-08 460.7782047 276.0857771 608.6076799 910.6194736 127.6450151 132.6698718 25888.6096 21278.36759 13461.82671 25401.07448 13537.80944 16429.8691 7850.83776 10747.52717 16267.53383 3316.791735 1797.774888 1193.471509 1525.331739 3077.711541 3282.681977 1174.998695 2221.93769 1474.418219 10177.29312 18609.08201 10889.49682 10745.44937 17544.9665 10415.31038 19475.37009 8764.123759 8494.657565 531.2842517 2047.960557 949.2778555 1082.02462 1171.441506 2324.389232 787.0930687 1751.597939 1638.732713 593.1848895 725.5411506 1544.114834 1645.767779 1308.086819 18023.34775 326.7680056 18423.17008 881.1769058 9-Acetoxyfukinanolide 372.5264977 215.1491841 105.0194096 112.6174465 88.38342847 351.149587 696.3273752 257.171158 10.08090843 4.07813e-08 53.05334519 17.3198687 10.47787882 6.318206168 4.07813e-08 4.07813e-08 4.07813e-08 7.770713628 19.05152931 7.224731089 81.59198807 287.2879288 138.9282448 99.50475734 212.1117971 95.50551687 87.7177332 11.64550062 4.07813e-08 10.08159379 4.07813e-08 15.57323211 4.07813e-08 4.07813e-08 6.690364108 4.07813e-08 336.2656205 7.144465817 220.0773375 179.9963147 298.0660771 114.6973357 316.2130877 198.1101716 27.34330898 83.94262986 7.138381121 16.01023284 4.07813e-08 449.725303 25783.90286 276.2460584 16873.65738 487.9258847 5alpha-Dihydrodeoxycorticosterone 9863.1332 8014.033106 13558.75961 9868.332517 6335.45695 24012.17519 28975.63783 108.8264346 18769.87978 141.5832798 260.4778992 79.85613813 4.07813e-08 382.390582 4.07813e-08 4.07813e-08 1158.381916 212.6471291 17774.58056 22176.7927 7377.259844 15301.2012 31513.26721 30725.51466 18521.42684 111.932703 2230.191338 208.4059905 4.07813e-08 1794.401931 261.2851387 474.0456063 88.28066116 4.07813e-08 402.581239 85.96834543 12797.2093 16416.24745 9060.021583 13465.85927 21281.55196 15402.76783 20872.81851 4.07813e-08 1695.238045 25788.32138 26022.37118 30091.58589 5383.107568 2841.120045 10645.37882 18550.73189 1886.174507 399.2173204 Docosahexaenoyl Glycine 2195.976102 904.032134 4455.564079 2462.424193 6015.781724 1159.75863 756.6186218 6329.403924 13870.54835 183.9338616 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79.88599234 4.07813e-08 14.64342681 4.07813e-08 5238.139741 4315.106908 3032.798664 2429.766189 220.8296509 3981.934999 1724.863709 409.6067635 726.6541662 4.07813e-08 2000.191718 4.07813e-08 2635.100849 4.07813e-08 4.07813e-08 3974.356657 4.07813e-08 4.07813e-08 556.9001612 1985.112572 823.9691377 251.3803378 3310.476043 399.7232397 4690.567653 206.8272604 477.8195734 1003.115015 346.0567159 1739.566034 1938.547443 3218.744261 1197.830167 2254.303121 21.07672903 596.3056814 (+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol 5699.703242 5274.660411 5158.814584 5398.461473 5152.064141 4867.747586 5139.925243 5035.237879 5235.139689 3211.356623 3374.787268 3363.804515 3646.293831 3636.820529 2908.209101 4305.64046 3346.698446 4324.139961 3543.710065 3901.53306 3464.368795 3578.743524 3572.432037 3061.618625 4361.899893 4155.413759 4427.946094 3119.146708 3515.196999 4765.646701 4664.384965 3748.514662 3564.123963 3364.070018 4531.040966 4482.801683 4592.945658 3722.206279 3896.383842 3830.80968 3229.472788 4040.758957 3841.365409 4936.356317 4062.328595 4729.798933 4299.293203 4099.130586 4144.756459 3973.073832 3169.182092 4053.556459 4590.742743 4852.256889 PA(12:0/15:1(9Z)) 4.07813e-08 4.07813e-08 615.8117824 3351.420935 803.515615 7509.89661 1900.101329 4.07813e-08 2320.901625 3951.540709 607.8622141 6621.649301 4007.110246 9717.699988 16631.37534 325.8698727 5989.010208 37719.08238 33152.60424 30426.15329 7484.250921 3723.465243 1536.089544 29857.42595 25029.40595 46192.37246 13463.77756 191.8064076 6527.947365 2676.024797 7548.104618 3326.420536 4.07813e-08 2256.772356 518.6474816 2168.418482 916.3623345 3236.566699 2706.330265 4.07813e-08 5133.644964 4.07813e-08 8724.584945 22474.84002 11492.41184 13569.33196 19792.33062 5019.168711 4.07813e-08 4.07813e-08 4473.215454 7691.00308 1497.542072 20287.25389 alpha-Tocopherol acetate 2396.703415 4.07813e-08 3810.691838 6571.342088 3631.242898 9783.458777 4802.440604 1356.91093 1695.463651 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22749.57062 23523.04939 9506.630606 16504.61355 12510.60138 35953.97395 8772.446108 19612.43103 9791.020334 4.07813e-08 4.07813e-08 4.07813e-08 265.3476314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7489.973054 13456.55352 8578.229337 7228.628923 13204.30702 6052.70692 17286.11258 13867.18336 11454.7602 18804.24158 10247.29944 11947.53154 5549.875982 1704.816645 4.07813e-08 7097.691952 151.1412738 16222.65689 MG(18:1(11Z)/0:0/0:0) 4.07813e-08 4.07813e-08 4.07813e-08 200.7478314 708.375934 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1328.771843 1273.030189 2020.72865 4.07813e-08 791.7438337 1111.104459 4286.948391 4433.516129 156.4049481 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 825.1011411 211.1015666 4.07813e-08 2111.522822 2072.127843 1527.769002 4.07813e-08 2030.105242 1264.543172 4.07813e-08 2088.135576 965.8875434 31465.54878 3403.860175 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 272.8547419 262.8105777 1316.610742 347.4119475 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1386.698344 4.07813e-08 Ginsenoyne K 46079.7725 57375.53462 45158.90228 43984.97815 45769.42478 37328.2823 41448.26238 34977.76456 39252.69838 26159.03832 27156.15905 22964.65597 28734.44407 28173.55544 26024.3967 30359.86603 23547.13509 27856.15129 29177.13489 30531.57899 27071.22251 28840.23491 26388.4315 33342.00149 23531.2671 27533.59662 31312.69999 23997.05398 30500.91259 32235.35783 36564.24401 32284.19165 25358.93746 27658.55001 27744.7274 33378.29548 37954.27033 31869.47424 31736.16673 33740.53993 27588.84889 28100.0792 29998.87619 34865.06019 31137.31487 42176.3276 36181.24618 36595.8126 30043.58401 32012.73689 22625.589 33359.81989 30665.6136 38270.61765 O-palmitoylcarnitine 3565.633881 6319.547947 4043.174457 4381.799397 3148.792962 4424.79551 4274.855071 1739.812668 3435.066428 3381.583203 2940.897483 2716.867752 2817.046917 3421.362595 2345.887082 921.4487947 2911.334495 3855.614682 3609.771889 2660.150935 2972.153937 2906.85498 2772.178915 1937.532612 2766.027971 3776.755904 3268.988158 3218.088153 2806.748221 2956.100903 3135.147079 2391.20134 2098.589504 2135.482128 3790.512243 3328.699301 3972.76036 3142.423192 3272.022965 2558.728756 1851.163701 2938.281133 1552.573972 3249.972098 3912.310758 3165.845567 2603.012893 2243.743463 1970.817876 2912.624937 1628.949881 3831.054469 3886.803402 4417.500162 15S-HETrE 9600.479541 7610.934405 16444.87965 8691.593492 8274.910698 12356.74797 5924.006809 6291.525922 15880.81377 104360.9227 72923.22147 22260.15007 76324.08945 23431.53664 39781.75073 80552.26458 29573.21156 23044.61387 22921.26817 20560.68698 8406.333191 6706.974237 4311.897764 15592.49354 7799.930262 28803.13736 8674.965192 12164.44961 28697.75784 28669.61404 41288.13818 26034.94577 27635.15812 26339.14425 50811.88547 25472.24254 8368.622201 8769.184005 6618.917511 3965.073454 5832.984473 5579.347853 9684.108062 22660.46835 11990.69336 15848.06755 29330.28734 8443.547682 4845.241268 4363.560998 21955.10333 9607.409441 75399.52752 9265.521195 Cer(d18:0/16:0) 445648.6811 426327.1518 431276.4043 445138.7204 441370.9297 370297.2789 398690.1306 407645.4091 430629.1965 307536.5875 283825.7394 264587.1527 292229.9603 306841.4675 234105.5682 367910.4134 260761.405 306586.22 278099.6425 299616.0927 284969.3798 319270.9877 291981.9157 319892.3533 325891.2593 352993.3175 347308.0673 257157.0085 308268.468 353906.4419 334874.8799 312138.8464 292909.9842 260632.0571 305846.9025 335087.4509 349447.6332 311635.0149 323474.039 286772.4452 288971.9152 293013.4606 296786.1013 367733.4268 322209.4822 358960.3222 335503.0587 321798.7533 348342.2854 324512.1665 242410.2161 358097.0325 354682.4426 399903.0704 (R)-Piperazine-2-carboxamide 95003.91187 94099.96889 93647.94301 93217.12301 93298.59942 82839.61921 85377.74542 82852.51497 86346.02941 61435.28726 58656.36212 58240.63361 59714.25042 62907.77421 53492.48987 70298.38079 53332.37239 64722.16978 61809.87516 63348.5041 61132.33322 65681.71373 62377.3884 64974.13811 68575.59069 78129.47356 71168.36162 56032.63132 64080.21999 70481.82641 72280.98833 64108.72777 61040.13867 55685.22788 65362.12076 72276.1123 75987.32614 66965.79127 67946.06746 62200.07097 55604.0654 63039.79674 64866.20134 79023.8784 70053.04958 74686.64815 72658.31653 70137.25122 70470.10221 70163.33132 53905.7339 71993.576 72030.95891 84355.33148 (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate 17306.84785 18869.73339 16651.30282 20178.64837 21591.92315 15796.64269 17140.42565 20299.92154 17409.80688 12827.03148 11337.30325 13051.51099 14473.20195 12739.528 13349.9334 18222.11478 13366.83643 15403.42957 11697.68641 13477.35993 14491.0394 15749.36914 13832.226 13328.82974 17526.18454 18050.85668 13193.96728 12568.1021 14893.78774 18511.60843 17443.77303 13109.73383 12991.53826 11423.38516 14759.37578 14801.6772 19018.87011 13971.64355 17564.26598 15622.38863 13035.31388 15051.76855 14275.54522 15586.96844 16111.52105 15985.55328 16425.61245 17110.06994 16136.5525 17825.25619 10474.68577 13084.19298 14290.17544 17829.27962 Methocarbamol 2519.796816 2245.980255 1969.704926 2807.547964 2147.824294 2515.12647 3673.914014 1493.256077 1067.797635 3355.500589 4201.488948 2350.026858 2729.022012 3282.249833 1926.043579 2001.121877 1190.379795 1846.409242 23649.2461 21519.88663 17570.66003 17539.51362 26228.33732 23394.07404 22369.59987 20031.04618 24504.59901 2207.256709 1957.235652 4587.017933 2767.492965 5470.067796 4887.424626 4152.466095 617.1037587 2736.767895 12024.93422 14234.04812 15024.29806 18644.32389 17685.42438 24519.03982 19847.89827 19759.47685 24930.79737 15454.67311 12095.31206 15423.85023 13369.13532 12251.34573 7412.678367 18194.08645 1856.194793 17683.9609 5-Amino-4-imidazole carboxylate 577.3899401 243.8912504 431.8431584 436.2446478 423.2389386 551.3231033 460.8318351 299.1983663 302.2038151 307.6727488 296.2011001 343.9173739 406.8686031 260.4723468 439.6632261 333.4344268 180.1570359 529.833415 370.0585471 195.2499997 353.2608002 332.3230373 322.7606121 325.8467436 597.1870126 443.3356051 489.8348969 325.2031408 469.0260382 593.3944734 259.9971841 315.9460507 284.1891434 612.9001366 505.2585259 515.5508004 231.321836 654.2202843 144.2839524 279.1344068 236.843931 528.2714352 520.9409372 448.9365163 396.314194 292.596524 486.2735664 278.4742113 380.3560497 312.0357589 537.8907 384.3222101 306.9329304 466.4599047 (S)-Ureidoglycolic acid 2443.504417 2408.465238 2286.096871 1185.575931 1776.159931 1882.357982 2058.021151 2526.352504 2278.175486 1668.330695 1489.362676 1324.433421 1172.76959 1111.933212 835.1196371 2328.73644 1606.252028 1765.121575 1565.889667 930.3463427 1325.423723 1525.933544 1450.28418 1090.903074 2143.265866 2568.028807 1992.736505 1107.808738 1730.564853 945.6023356 1169.354372 891.9352993 1516.042196 1353.911781 2357.783736 1841.405541 1749.923919 1105.993731 1256.244144 969.5374898 2041.031846 2111.006406 2019.454047 2002.72383 1901.5792 1218.526786 1380.724302 986.4468889 2303.486722 1514.637982 1303.748014 2221.886977 1640.35371 1964.334983 Ethyl 2-methyl-3,4-pentadienoate 12443.14554 12912.52385 14558.57287 12837.97622 12772.30188 12837.00679 12644.44539 13741.92142 12585.87822 6569.129839 5575.044915 6036.789964 5706.234476 5619.967826 4541.183484 7049.236129 4205.567525 5761.401762 17421.91075 17359.86589 16499.47754 17426.53909 20948.32736 21434.36169 17787.45503 21367.39784 21795.27479 4469.955782 6559.482508 5821.118191 6080.192408 5365.510399 5837.007879 5733.730293 6052.735891 7179.938923 12518.69624 16981.31351 16357.24375 17450.47073 18445.12361 18833.22407 20823.01295 20834.2181 23875.44187 15209.78022 10959.73245 13165.56513 13279.37713 10681.48685 4921.22557 13927.73421 8773.97754 15858.73242 Ruspolinone 112.8240282 429.6577037 284.7761316 136.1732205 216.9827131 152.5680817 185.8784207 147.5671147 2745.169543 4.07813e-08 4.07813e-08 4.07813e-08 144.5978484 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 535.9383027 713.1129516 662.1893129 519.7137361 1736.866413 2001.507774 1256.745155 1379.323983 1315.224941 48.90419997 4.07813e-08 4.07813e-08 49.70641462 4.07813e-08 4.07813e-08 53.56944638 4.07813e-08 68.5744367 4345.31598 526.4382076 683.1121134 1429.940287 796.738595 1112.880434 2610.567581 1615.898875 1253.879335 928.5543505 591.401695 290.7550913 232.6047715 406.7413139 4.07813e-08 436.8118823 4.07813e-08 546.5510369 4-methylthiazole-5-acetic-acid 7513.292597 17799.51366 18357.4817 14594.67545 25342.53178 10143.87581 6411.0228 2416.282441 4073.269046 724.1175268 648.5597329 856.0512387 550.5759208 950.5349083 560.2314818 1478.680319 810.570873 731.1048919 10876.60211 19524.54663 18914.19185 6740.430984 8709.64813 25445.25692 11443.65106 7112.383665 15967.85795 679.4908704 642.1067513 1226.555045 1186.875514 591.8893784 1381.593782 3511.422549 1256.290927 3160.666597 7391.918196 11501.21484 12716.97632 10802.9051 7466.06296 10519.49475 24792.66299 7465.216313 4753.776379 7850.16117 9589.875516 24157.12433 13513.39834 16477.62245 737.998318 10959.0745 1115.849432 11258.66867 Agaritinal 1978.96467 1522.275508 1619.787034 1071.893586 1289.678709 1979.187585 1565.872224 2237.58983 1770.703112 759.1396752 591.1174691 515.7593903 1065.43935 481.1621531 254.7862528 112.1542331 428.3216398 935.7595891 2632.866116 2236.200909 1955.231935 2631.83354 2887.732043 2990.95184 2270.927048 3142.25502 2933.49811 363.455173 513.6065139 525.8398853 292.1757402 926.6042617 517.3898951 740.448683 330.2753512 218.8403443 2351.68937 1863.83086 2082.962425 2432.290844 2299.720627 2308.952651 2830.744015 3055.596781 3180.034071 1715.335225 1096.887422 1724.08299 1441.74177 1406.323054 941.6844494 1390.350627 410.0780407 1657.023636 3-nonenoylglycine 8706.241729 9593.952936 9289.838457 6508.801379 7378.966308 8649.304655 10932.8107 26653.96723 25366.04905 82.77330248 43.96767218 43.59444928 4.07813e-08 52.19775133 38.80351825 4.07813e-08 4.07813e-08 58.17636217 7681.952576 4103.057195 13674.22657 3100.759639 10213.56607 9472.670465 9822.625142 3120.595333 17692.80608 42.70986306 162.6923366 4.07813e-08 41.46776618 359.6682664 90.10931101 107.0005629 4.07813e-08 53.64012473 1065.789626 12054.40003 10801.70521 15906.0815 6215.472197 7107.489497 18274.61753 4794.933532 1983.777506 10573.73908 5470.61962 10173.30484 9801.410199 10166.33891 38.81682495 11751.46583 120.6869436 13648.14503 Methionyl-Asparagine 44662.00591 28377.94357 31174.71245 24800.64171 20018.98259 28796.64333 33842.54605 45292.35046 45891.3928 14084.85067 12417.90044 9502.551893 14107.98063 10374.68599 13780.16701 6741.219323 18535.35495 18334.08862 63701.79679 52586.51486 51758.92143 47534.94144 47812.36335 37836.91779 48654.84926 37212.34471 47663.28869 17334.02461 14139.21893 13495.40009 15092.10265 22374.19097 12761.80014 21936.0871 8421.8141 10622.70287 40537.12443 39904.18022 38258.03666 46379.43072 52351.8279 52504.97107 32823.22593 34411.86457 55182.0876 35747.90692 30021.82937 45815.95593 39154.64499 29328.01969 24133.85304 42655.92591 15354.53351 41564.7948 Citronellyl anthranilate 6451.759252 3547.622495 3228.680883 3073.264238 3125.670767 5008.800145 4510.676032 5895.280722 4100.744173 1421.472599 1144.907948 511.2764279 445.0649924 261.0679983 1083.011082 94.99622661 435.9098025 247.6066597 12840.2399 12200.09608 10832.39787 10807.22289 10865.7015 9707.01145 10401.09687 11874.49265 12451.57818 843.3719135 1017.251789 513.6910085 1032.156624 994.7945779 916.8549202 1857.370227 434.7150204 424.2310469 6478.91985 9262.094607 9149.169771 12420.52805 11878.06783 11677.86927 6656.526653 11956.36238 11302.73467 7929.546006 4733.546983 8129.667477 6541.852294 5885.648031 1762.054435 7801.89662 1531.083691 6627.690115 Syringic acid 5585.912183 9052.142902 5915.691587 6736.792975 6480.174854 4134.701262 5113.404423 5903.239561 4539.768727 16385.67963 13531.15438 10014.57259 16626.74511 9920.883921 9217.412322 6133.680147 10149.47808 12268.64291 9688.544187 7984.140783 5168.473521 5567.006884 2278.943991 2051.782116 4832.035113 7511.800784 3147.864857 12439.10804 12295.96494 15214.9625 10154.03333 20634.14378 11689.70436 17623.92066 5865.221391 10915.90851 10509.09767 5659.432303 5848.37201 2897.802993 3999.767646 4106.41396 1922.063698 8308.810844 4686.759667 2747.578059 3515.656988 4433.774945 4676.885407 12870.01233 18236.56077 4505.692873 15250.398 4070.925826 7-Ethoxyresorufin 4.07813e-08 81.88770414 4.07813e-08 194.9092215 156.0949922 4.07813e-08 260.626352 137.2195702 4.07813e-08 1675.388609 1254.624548 1227.529153 2143.806061 1843.507055 1144.79075 801.6790318 2087.814931 2039.063713 81.26381054 328.1189529 330.052621 357.6196955 339.9986289 216.4369445 321.7228182 67.09519886 498.4447959 2098.639164 1496.912831 2294.452328 1197.29009 3261.709327 2347.901239 1419.137 1199.79948 1593.13601 396.0292143 90.514547 4.07813e-08 229.6625886 187.0540534 204.1446189 247.0049713 4.07813e-08 642.1735638 367.2075079 1392.966362 132.7831989 84.35355824 1119.169779 4924.533894 69.08285138 667.1515011 131.8032049 1-(2-Furanylmethyl)-1H-pyrrole 7248.428737 7403.341005 4433.77777 4696.476148 2452.10468 5981.577335 4927.250831 6936.801696 11961.4749 7767.521093 6542.448001 9956.833871 9446.785068 7508.396083 11445.68598 11310.37582 12731.29177 25796.24128 2459.726821 2063.99207 2075.751508 1830.148411 1377.813347 1986.3314 2448.191772 2843.48701 1994.71192 25647.65712 12256.32916 13973.51151 20425.69314 12763.05582 16125.44747 13275.64386 13474.02343 9981.510515 8271.397266 2289.868587 1829.502698 2122.642509 1870.769625 1600.058762 2404.004014 3084.976935 1683.970347 1992.917754 4664.949277 3772.919999 4257.811256 6159.177739 7122.379024 4406.695094 15825.4257 2664.757042 2-Hydroxyadenine 366.7156464 298.9399001 595.2739864 611.7987363 987.0840138 507.715885 417.0089034 222.5773549 200.1145563 45.96255869 29.6166405 4.07813e-08 26.62861345 225.0068684 4.07813e-08 91.13099511 18.01688612 29.08856202 604.8222836 649.4005059 584.2995471 648.2882945 749.3575644 580.5625335 1256.428572 950.9633737 641.3132624 52.55476617 87.80106935 108.9155941 128.9263334 162.4918498 50.53552009 43.52304572 79.59556183 263.0201107 725.4696977 576.266235 362.4547706 389.5316216 723.829598 653.5934149 507.73476 818.7231903 1033.424847 289.0329548 381.1987012 462.1758317 235.8488291 155.7120106 32.24986254 289.4222964 39.32916267 365.7977758 Xylobiose 4.07813e-08 299.6830207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 91.81135442 4.07813e-08 7383.81636 7284.064173 13247.32351 7615.832741 10255.8017 4280.787738 5184.280633 5320.17178 12201.62948 1.73850842 6.410787745 5.898618457 7.44214804 4.886117643 0.669431649 4.07813e-08 4.07813e-08 4.07813e-08 9178.251591 8538.525874 12014.84643 6390.573627 12047.39528 11441.43678 9571.95274 6393.652054 9311.973348 4.07813e-08 4.07813e-08 4.07813e-08 4.882196749 2.936352055 0.968642727 0.246346548 4.07813e-08 2.953536635 4.07813e-08 4.07813e-08 4.07813e-08 203.2803002 68.52599292 12148.74212 66.47345261 7192.900816 303.3949128 Terbumeton 7658.293363 6741.715552 8882.310343 5863.58719 5995.538827 761.448158 2402.802172 1599.201745 1626.127723 3341.7854 2030.588526 726.8506976 2525.758819 404.513458 413.0526145 526.5201027 422.4204456 508.9388814 16915.10504 17521.00305 20631.32954 17943.39695 7040.818867 9701.474595 19083.56153 14722.03354 15293.33183 2266.801772 1319.534893 2730.956284 1618.232294 474.0344866 1540.695749 9875.071481 3534.18853 1939.119777 34136.09743 12959.43403 10616.7467 15060.60477 10043.24351 9704.352826 9486.488126 18646.51277 18505.50354 5535.489419 7920.81182 3270.952541 4158.327159 5168.802241 1070.109079 4522.954518 4889.098539 5238.692026 2,6-Dihydroxypseudooxynicotine 31574.01613 23777.87004 18641.94746 11479.31633 13237.14179 21263.86138 18829.83716 32557.68181 32619.28048 15042.19546 12517.55247 7027.154896 14866.32581 4930.159041 9262.197951 3600.616304 7824.014491 14476.7568 28133.48589 27083.92317 25370.09732 24315.90186 28973.77094 27807.62813 24541.91222 32856.15469 30665.12296 8476.158004 8506.044267 6868.041303 6720.612041 10162.80151 7200.831789 11068.77694 4302.177645 4611.581159 19167.1527 23570.43354 21443.70264 25773.34296 26398.11604 27422.26704 25723.29209 32096.9759 39470.40424 21331.34322 18519.73486 20756.50019 18116.97868 18343.09351 12427.01938 20894.34596 8421.434107 21138.77709 Pentadecylic acid(d3) 53221.92364 70820.46735 63368.18794 56618.29777 49915.12144 44840.50428 56095.93506 43505.05931 61935.199 32921.38164 35346.28318 30488.39985 43255.38576 34786.92905 34613.69577 56169.07188 35470.79143 38561.41501 38514.39223 43238.23767 93837.02447 53167.97346 41389.84627 24475.32352 39260.80131 49789.27779 32807.07809 26507.38438 35089.83441 40280.31019 50923.84291 33834.66428 36014.513 28477.51645 77450.67831 42844.56832 54354.0587 39108.91947 47068.84801 43676.12553 30796.56077 42030.5411 41816.52635 53908.26633 52284.84247 50192.54349 48563.86143 39451.2473 47151.14111 39625.3703 32599.52394 43172.78164 43458.89093 57815.45309 PC(O-2:0/O-2:0) 75097.32032 55066.63408 89345.33165 91794.22509 115850.1973 83020.1011 93916.20004 85140.78431 64245.54494 5501.31276 4685.215019 3083.285472 5536.96803 1045.155614 6682.261585 2196.822569 2135.453799 3068.146929 142399.4525 168347.449 63092.45083 115506.9423 165235.2846 159740.1252 148301.8665 166115.3288 172030.0671 8824.16423 3729.358878 1730.013996 4993.887559 5878.364308 5474.944597 7190.399361 3885.270495 2017.476863 106430.0514 130805.9441 69688.32783 130417.6073 163403.1358 163254.1099 156657.1128 178777.7915 197252.1322 133397.0203 104331.6656 106607.4103 82546.31147 64102.94503 5573.448582 98155.46669 5577.37274 144227.3477 Lophophorine 5434.109703 4902.738734 7225.845145 6638.01014 7405.912705 6002.354013 6861.919907 5279.179693 4742.518663 4.07813e-08 300.9760054 77.20953522 1286.485989 73.00647643 62.21375135 77.83619182 4.07813e-08 246.5480021 16342.70221 15476.99878 11079.88556 11998.17224 13745.65337 14497.19308 14847.75376 18919.5646 18959.94091 216.4006474 4.07813e-08 520.4811476 245.6884914 141.824512 192.2970141 149.0098441 4.07813e-08 319.9227868 10250.37988 10260.1865 10267.09558 13218.85918 12124.53106 13160.30052 14389.39975 18424.1656 19118.6828 12300.04549 9374.030782 8597.999624 7277.734798 8545.029165 84.17971343 9914.376151 189.3974264 10173.58225 Methyl N-butyrylglycine 6343.763788 6316.103479 5343.28786 4969.533706 4747.711018 4088.349646 5098.450549 5778.747199 5991.301451 6738.834191 7729.896948 7799.965107 7169.360693 7003.598945 5545.929443 8196.944552 10085.66023 10199.8037 3652.619923 3556.717451 4672.760701 3610.656184 4411.222394 3760.835003 5396.405 6038.374837 4113.992444 9863.479723 8575.443441 13063.30847 9571.19596 12708.89827 9130.690902 11029.75725 8398.288216 11869.51006 10411.92922 3780.963545 3697.393215 3446.347199 4251.696746 4334.054909 5732.51169 5919.961439 4187.88553 6382.937447 4127.437628 4890.745464 5131.968997 7090.923726 13340.36029 6154.174098 9332.023015 4930.151067 Methyldopate 3526.44714 2348.025813 3458.664848 3956.575855 3660.709799 3306.568406 5471.566089 4842.139294 2787.81146 234.7871453 342.9208391 162.8524127 781.0481213 441.9625084 282.4031476 248.3557348 4.07813e-08 347.8876581 5042.794192 8758.996261 3762.379327 4214.085464 9415.527707 12608.68963 7740.122772 6360.337513 9237.588418 375.8279071 1036.319248 240.2585386 988.429992 347.787662 1070.176038 446.0027402 228.0532557 484.4249401 3872.445242 6191.958228 3049.524464 5163.237653 5204.567174 6450.792483 11249.99089 5647.475747 7736.583206 7836.278967 6632.611666 4507.355461 3042.029133 3399.43603 517.5412472 4274.137517 376.9996909 8599.164375 1-Naphthaldehyde 1863.280302 1704.197282 1942.673868 608.1191691 1016.906303 3409.342547 3988.098975 707.5057172 1840.846316 4.07813e-08 1239.801702 4.07813e-08 4.07813e-08 36.36760436 38.24694436 1557.715251 92.53078489 37.44833531 463.2515867 767.228349 3079.745376 5387.883378 5835.174316 1823.236528 1078.787779 870.956809 1378.555705 4.07813e-08 72.5322116 1352.892777 315.4969132 456.8822722 752.974278 80.82549545 0.287891041 87.35417228 7536.917611 2348.933003 4841.133781 2103.764724 3424.85617 1717.910873 2016.245379 623.4178843 1028.273695 615.5515464 543.3840948 992.7807212 2193.605271 6695.792896 4.07813e-08 1447.588343 418.8277262 1008.130223 1,2-Dihydroxy-3-keto-5-methylthiopentene 1759.434726 839.5463395 1229.676483 1345.288621 2609.935118 907.5783984 1105.084619 1588.391173 493.1944075 3.776736718 4.07813e-08 4.07813e-08 4.07813e-08 10.6197842 12.20110567 4.07813e-08 14.60573295 21.89203692 3828.839754 4373.46734 895.5045737 2507.42672 1623.651217 1402.69827 1873.547627 3746.332726 3215.993326 16.84824028 4.07813e-08 10.05167727 15.26139691 15.09541846 14.73506698 9.730663279 4.07813e-08 40.31991422 1007.757752 1926.879571 813.1816971 877.7084726 3963.933437 1428.824523 1759.959543 4966.930833 2548.452519 2596.457845 3669.185549 1217.060384 380.0635915 171.4308397 5.999382572 1786.057918 19.46372163 5143.722086 3-Hydroxy-N-glycyl-2,6-xylidine (3-Hydroxyglycinexylidide) 1976.063532 1352.429287 2243.790671 1829.323148 2097.629229 2491.702131 2807.276782 2556.571361 2770.189058 993.7613057 408.7862714 556.542731 748.5357268 623.626644 738.479284 219.8369376 114.0591035 1059.189011 7239.229075 5692.667913 5580.895232 6205.952195 5797.885809 6095.991275 5913.75239 8159.818112 6346.476396 1422.173221 1155.499667 698.2957 1040.536161 1591.520927 1292.004818 2007.188058 323.9449727 482.5563426 4828.317115 5266.33145 5325.423833 6142.492486 5145.021492 5656.863456 5446.075215 7304.892698 7667.443924 4244.515339 3260.454751 4454.978084 3586.178868 3449.667051 1992.906412 4352.132763 1599.226739 4430.793579 Stavudine 6802.613292 5174.865824 4868.396159 3669.030223 3048.564899 5258.621818 4497.011004 5026.871472 5848.727481 1598.314243 1501.375431 1111.2184 1470.323558 582.8041301 1019.805435 715.8829789 556.6913852 1434.113957 7003.741865 6982.136061 8085.490062 7109.60038 6492.168527 6428.527961 5944.308455 8360.480381 7824.039595 1092.822173 1351.132171 896.1047652 726.9542084 1568.743998 1246.758307 1615.945761 622.7080953 924.1217839 5085.634757 6380.433257 6354.245276 6253.703203 6173.986488 7048.232881 6693.337104 8498.049073 8971.589423 7421.644227 5199.229308 5593.808657 4715.676727 4657.976161 1419.77446 6080.660485 1043.545149 5227.906694 1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone 674.6902371 1271.670218 345.8639817 1083.049388 1368.070788 422.5504757 835.8856833 120.8752173 131.687774 694.2246441 1040.767174 882.2751877 549.8346181 935.5557925 867.1719165 334.2134082 212.1936635 1050.391026 1061.190331 923.80816 1715.145828 1667.113776 1977.265575 1243.550391 2577.142978 357.3228844 404.5659825 948.7255852 1552.644195 1156.874315 927.3257774 1632.213128 1120.364717 1862.127399 647.2109314 1266.033769 706.9616638 955.7576649 1134.07418 1576.46033 2446.746204 2037.902518 932.2799608 337.8309112 895.1146533 3281.26952 1241.865209 2086.877033 1532.183984 401.4119877 1328.541626 2316.279193 1658.364263 627.0298777 (1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid 12460.25175 17413.34993 8289.334396 15356.37919 6338.250455 9138.040628 13605.74109 18432.68626 19264.38359 7784.995166 8373.60358 5632.956628 6233.81999 5897.309471 8763.338884 7913.426548 6814.676239 6423.746899 2697.700149 2533.336548 6974.506194 3409.956942 3865.626833 2611.438682 2531.37681 2581.018055 2837.738482 9240.45955 5674.309712 4991.165814 5135.281467 4807.492343 6210.415025 8698.031896 7932.713611 5233.023648 5403.464755 4650.964652 5512.204111 4732.44971 2884.357709 3036.778337 1654.413254 4069.019481 2746.593841 2606.679148 8733.574432 4609.822314 8510.632145 12951.7307 5564.358908 5070.916174 5800.129531 3178.294903 Tomenin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8124.202423 7099.773956 15853.06608 8376.697605 3791.445086 2188.152748 4041.949872 23462.06796 25367.44777 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7793.675582 14524.09686 29847.95888 3863.807729 8132.581537 13589.43591 11473.47414 24739.85046 36919.99152 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 219.6423715 17158.75314 4.07813e-08 15445.91026 4.07813e-08 Diamorphine (heroin) 10060.65146 12456.81077 4841.799776 5797.065206 4686.890382 3589.059065 6962.027049 4988.451762 15021.18145 17504.46538 13465.36869 18349.85469 16510.92137 15523.51489 9809.678448 9690.325915 7570.160891 16201.89905 12110.36741 5702.579254 4820.597393 8554.844068 4115.762371 1470.698746 4378.362687 10204.22327 7830.189256 11216.64547 15251.89997 15211.37853 10611.15236 14623.99241 17058.31728 17234.90979 10633.13913 14521.29227 17067.09208 9747.65639 2590.232173 6892.904417 5262.116257 6034.793347 2118.772404 8495.100877 4650.927763 16985.72588 10446.70647 4145.05903 5165.5118 5884.728436 17552.31493 5392.07901 8152.703014 3561.056115 Gentianine 70.73805298 198.668259 353.5363716 149.6190685 78.14695996 224.9253737 118.6152806 341.3991627 235.6300781 2292.934837 7427.76376 5081.967002 2949.80489 4148.051841 1263.430939 2760.986182 1692.525209 3845.085894 86.58479282 180.3894413 4.07813e-08 253.3918725 4.07813e-08 155.0234799 4.07813e-08 4.07813e-08 189.9010743 575.5337208 2728.112296 5264.580224 1294.667445 4300.958724 1467.525926 995.7715847 688.3221521 3027.754605 57.04798349 41.75303341 263.777594 48.42380738 237.0797162 4.07813e-08 309.2704391 517.7728355 4.07813e-08 236.2638514 186.4623687 165.8116734 400.7609406 4.07813e-08 2348.020198 212.9812712 3594.039168 68.40474105 O-Acetyl Salicylhydroxamic Acid 12757.76533 9839.227487 10548.25042 9051.851429 9254.082963 7724.898507 7180.920616 8261.580298 9354.013685 3890.415712 12018.92122 8051.999066 5320.574312 7466.856544 2705.496674 4362.556321 3114.794558 7389.964998 9053.980252 9156.415437 9216.330583 10459.11276 7028.678505 5153.928672 11115.63951 12032.89887 7907.471925 1543.009666 4628.514686 8807.398044 2447.443353 7608.632641 3551.479488 2260.655733 1619.971905 4605.16041 8992.309556 8681.640841 8347.378248 5740.516162 12269.68712 10854.47278 7456.322324 10310.39242 14013.45237 5849.897326 7077.760903 6936.148144 9533.051527 7134.896412 4531.634838 7266.056214 5357.309522 6935.357288 4-PIOL 9281.373819 6108.334844 6223.14622 7999.050595 5750.231707 4708.932562 5687.918123 6693.362304 4015.672149 568.3930324 250.2603377 406.825155 537.7792355 634.2064986 335.0978272 424.6270233 613.8904189 846.5016572 7276.615205 6285.678219 7441.746061 12242.9311 5907.208555 3168.354653 7896.829222 10139.508 4771.088305 376.2550008 626.6536814 1079.662797 716.2001318 1399.53162 884.0281963 587.9417196 471.4689248 420.7770657 9096.780326 6319.986171 8282.711094 4365.595962 8469.05053 9202.397162 3558.487072 8282.664228 11768.49762 2691.108495 3111.388358 4566.994837 7044.205093 4491.476318 1104.499512 4903.160738 397.9370366 4955.49123 PC(7:0/0:0)[U] 4538.948415 6255.139029 9110.849228 8730.637717 12911.76222 16826.48081 9731.663891 10079.72161 11205.19889 1223.546234 2684.574119 1332.847109 1472.410965 2294.667252 1161.677144 880.8258723 1538.676138 4638.691585 3927.476884 4609.132268 5275.985432 2839.730661 5182.270117 6037.100885 7159.118958 4769.747858 6439.413025 495.1536522 694.3554066 1917.316551 592.2783628 5895.731865 1098.048566 1048.491537 1007.595779 1421.040878 1827.407707 5646.772662 6034.335221 8001.762974 3556.17326 5862.143746 3924.197634 4140.258817 1897.488137 4197.160203 10789.26169 7132.815122 9927.339146 11483.85662 2139.248021 6507.307545 992.935485 4923.32298 Aesculetin 531.8398016 781.831318 932.7506233 1072.673893 625.0136682 476.3593345 867.5698216 477.9347837 313.2985891 2433.792298 8005.743301 4312.467775 2149.215075 5574.01035 1882.517875 7951.041232 1280.604018 1977.166974 368.754399 249.9319544 419.8400657 445.1758399 413.7840187 74.49855603 491.3487667 1045.582324 798.8455405 546.4099399 1887.548319 4829.084668 1107.889573 2778.123908 4215.697362 801.695348 1338.962761 2574.574662 944.950956 214.743813 410.791053 168.2868147 315.8814004 681.0983682 370.6248994 1384.057345 494.4688452 463.1117291 400.9180245 510.9878556 482.6733211 832.1234861 2045.436385 553.2199779 2413.800088 667.5560815 3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside 1181.613183 1064.818516 1203.450155 1442.497875 1746.068556 1681.110429 826.3067297 2328.30482 1112.992059 596.6172626 4.07813e-08 4.07813e-08 582.1293718 4.07813e-08 434.7252612 4.07813e-08 425.9847351 855.7813071 4009.955016 4345.62645 3079.086149 3370.658271 3339.4501 3164.149805 3907.602245 4014.138688 2249.225507 499.8818785 1175.841471 154.6254021 298.5318069 603.7813259 112.5215502 4.07813e-08 4.07813e-08 4.07813e-08 1739.122263 2670.327397 2491.177237 2047.876226 3350.497039 3338.717341 2611.294034 3562.48337 4912.917558 3089.693352 1402.87695 1595.569649 1632.231123 2101.951939 803.3606847 2762.245811 873.4531794 2041.592633 1-Methyl-L-tryptophan 7864.029657 4150.497963 3079.802562 254.7500509 6429.702217 3064.881307 4125.051957 2135.810687 814.1674628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1262.635978 3508.763992 1715.511358 1061.282847 1332.971903 1716.627497 81.72691417 938.2124003 2549.896495 4.07813e-08 4.07813e-08 81.16312575 4.07813e-08 4.07813e-08 412.2401485 4.07813e-08 402.1646889 4.07813e-08 1362.963419 1017.342164 1439.55119 3274.346221 2356.551478 2578.565373 1090.280712 330.0882824 97.87186048 2292.441292 1532.838874 2711.996507 2426.312578 3252.053408 75.22866573 2829.57155 4.07813e-08 4289.691475 p-Hydroxymeperidine 8988.325883 5358.289038 14543.72826 11264.47906 14073.67741 11705.14029 10778.83059 6852.853268 5706.633794 26.50675066 9.326387882 299.2503289 209.4936898 755.0994055 209.5337537 851.302996 242.422704 230.7518613 20489.12636 19305.39345 14432.7673 15491.97658 19823.71432 18669.47815 18080.85509 25055.01375 22338.64074 323.3899532 260.2782534 1118.370996 360.4200702 467.2794327 418.0918764 476.0382152 2541.061995 427.4063102 11751.82587 15098.5107 12841.43592 15365.56218 17537.48655 17629.53752 18586.12098 23173.97862 30107.0576 17418.40638 13048.22317 11863.81043 10178.47224 6773.133655 491.4076134 10305.48244 546.9134314 15682.65042 APGPR Enterostatin 923.6879114 4281.120279 293.5635318 822.4766186 880.5649967 1312.375343 2486.402885 7677.128199 4224.110518 11687.42054 16228.02492 16559.74088 10732.26846 19268.73906 20038.99294 16970.44699 40834.52257 25633.4496 269.3692155 4.07813e-08 553.3342164 4.07813e-08 812.718924 181.5991965 190.2396933 269.1710203 570.2338716 6454.895651 17299.6454 22974.28603 15655.0456 32214.12565 15965.67184 13685.15901 17063.1435 16412.31899 246.9367045 338.8788054 4.07813e-08 741.4106714 296.7484711 465.6372445 275.5790529 702.9415361 844.3211675 199.4988235 4048.40248 2517.189872 9829.151776 10426.53507 21353.51969 2513.836889 5705.006678 2428.086268 N-hexanoyl-L-Homoserine lactone 7694.688832 8080.933675 3137.351034 5263.450471 2910.710755 2789.718601 7451.001467 8109.572568 11264.91918 1745.541546 2345.876045 1964.986038 1641.176455 1467.258857 4330.742062 3868.374797 6051.379511 2169.700945 1192.334152 1411.178768 3991.153358 1321.908603 2344.827941 1743.730786 2099.505596 3025.0643 3725.817115 1866.544019 2079.26616 1907.912273 4276.280129 1992.992833 3127.441024 3407.016118 5615.410987 2391.966893 3125.143322 2732.480331 3723.619955 4038.821845 1432.727349 1242.395836 1730.391363 2282.515891 1484.214736 1271.039912 1618.050721 2369.864459 5039.11544 7706.129157 1823.709823 2063.850607 2242.372425 2384.050668 Ramiprilat diketopiperazine 4948.494115 4044.018876 1888.110029 2047.439046 1800.440953 1491.175881 4837.726135 5067.187844 10069.61342 15894.74142 9856.617829 12470.99773 13280.03452 12852.42801 7073.164202 5346.058983 6078.074545 14063.97011 5231.0921 3054.305321 1495.77977 2800.171572 1485.203175 1452.846718 2127.594214 3851.562871 1185.156985 9272.047346 12405.60405 13155.34174 10967.15404 11365.37833 11319.60122 12226.18562 6130.413769 8931.116775 8700.730496 4065.628069 1380.101141 3056.245766 2064.063486 1513.905108 230.3275381 2405.80411 155.1344588 8957.420461 7933.771983 2274.200823 3318.267494 3631.675858 13873.48447 2253.227428 16740.77281 2156.132319 EPA 4.07813e-08 4.07813e-08 4.07813e-08 53.32963419 4.07813e-08 98.16566515 122.085888 4.07813e-08 4.07813e-08 3721.698914 2630.891826 1899.344068 3089.324221 2752.847711 3080.074214 2541.764166 5941.633634 762.530162 4.07813e-08 4.07813e-08 47.15854602 4.07813e-08 4.07813e-08 48.09700603 4.07813e-08 4.07813e-08 4.07813e-08 3640.470144 3041.511895 3556.541412 2597.952728 5826.991294 3252.297738 2684.754768 2415.580106 3083.523433 4.07813e-08 56.49826704 4.07813e-08 4.07813e-08 4.07813e-08 42.14020874 43.12266141 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 393.7538686 103.6071948 11764.36099 267.389831 3713.760243 815.8187149 Oxadixyl 6404.191047 4583.70035 3976.833647 3762.998165 4348.650022 4919.188806 4732.957487 5244.021218 5317.656304 2592.165235 1936.360672 2423.779034 2811.663288 1511.663129 2416.321375 2367.803382 3087.555725 2983.209222 7845.536571 5855.573156 5967.81207 6520.20875 6024.055445 6459.128121 6027.56878 6580.080333 5622.806209 2745.177551 1578.811678 3364.643369 1749.978442 3253.973463 2248.368638 2266.010424 1423.863454 1702.850409 6072.98555 5350.120038 5541.945829 5623.771858 6958.840029 7441.683467 6509.21474 8273.880494 7776.832108 6493.427615 3840.545381 5627.888123 5313.87644 5925.250448 2708.416093 5252.253104 1943.509228 5993.781596 8-Hydroxycarteolol 17732.21391 10139.58419 18730.84294 12433.29523 15945.20933 13228.47016 13066.94372 13139.82685 9651.352486 2547.555514 3790.980025 3955.690191 2459.203246 5920.717823 2785.996883 6291.026796 3489.894091 6357.987433 35206.08782 28048.72956 21320.04673 30163.96888 28419.48292 33402.53737 32512.68691 51810.6248 44946.10402 4978.073146 4562.372189 6326.730828 4991.450589 5137.633608 6485.258933 3548.14283 5257.830415 5773.449781 23392.38574 22347.75353 22166.32085 24482.0576 32358.41493 29700.55563 31428.33559 50691.3947 37920.71073 33374.68073 19315.5425 20919.34247 22526.62258 14691.51196 6322.722013 26722.36729 5501.178859 24446.01086 PC(3:0/2:0)[U] 756.5370531 2045.900278 145.8066861 596.378362 157.1817364 4.07813e-08 293.7679488 344.29645 4.07813e-08 8283.612402 7041.49086 4928.864111 8851.091055 3235.226939 6709.930573 3935.659979 7613.526964 6690.778031 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 290.3562284 4.07813e-08 6003.403068 6375.722249 6897.603079 7050.035368 8826.192893 6606.149061 7441.014322 3541.489803 5758.273549 1515.672674 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 377.2535354 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 349.5457325 2871.540991 9395.936054 277.1163687 7239.370769 549.2715538 Phosphocholine 322.6381775 264.4719228 1122.541321 1470.03627 1445.281045 4394.157274 968.4938192 1395.369536 525.5668569 3507.122478 4447.14295 3786.381048 2693.311168 4655.022612 3452.604537 3701.544759 497.0411056 3410.920457 559.6600486 379.7825144 904.3444944 333.6220953 552.9275165 848.7095046 575.4056954 687.1537408 893.7965103 5437.798233 1983.399634 3930.201851 2425.408613 1569.777147 3385.685884 1279.989365 3131.586837 4142.001427 596.680706 675.364891 724.8422736 1031.276228 1329.669771 944.8035833 2176.4128 727.1051877 297.0282471 3784.850327 320.071174 1224.106763 1360.527058 856.3095935 738.9136946 1829.973704 2522.08394 1797.245488 2-Hydroxy-8-methylchromene-2-carboxylate 7845.790437 3747.36778 6020.466264 5692.913865 6116.541535 7501.155295 5555.57391 6051.934784 4618.506678 173.2490708 164.7066543 81.48541413 342.0984392 4.07813e-08 260.3346287 4.07813e-08 82.7771265 47.59045884 5993.459279 5817.939657 5839.679124 7020.844702 8629.274764 7752.098759 6588.529384 7918.441528 7377.310229 56.73146089 4.07813e-08 4.07813e-08 4.07813e-08 163.2219476 79.26172283 45.89105985 44.77153305 4.07813e-08 4407.638283 6320.206754 5445.595403 7461.237794 6362.035807 7251.271056 8422.051171 7841.217239 8836.869445 6577.334159 5377.732231 5267.550994 4313.925952 4264.899169 70.40565439 4295.568263 178.0013734 5765.232432 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one 961.3499035 773.9551186 2501.990963 4657.657004 4336.533289 2194.133699 1532.550039 139.6087097 4.07813e-08 40.49750176 594.0015259 1236.559647 187.418899 927.3368763 17.33666031 538.9044549 4.07813e-08 17.11445444 1972.95043 2282.9183 2338.401931 2652.243321 2930.878279 2712.859633 2441.174772 2437.891585 3619.598867 146.2333634 133.9125696 1136.154673 113.0765888 252.2725252 1574.408384 27.0661607 945.7493571 449.3804388 1947.518858 2828.158544 1728.215636 2193.547851 2392.90157 2581.848626 2313.67805 2820.503618 3117.750457 2047.024244 1408.713994 2210.909511 1073.828918 1119.950439 434.1980522 1875.691586 184.4106561 2751.504773 Isonicotinamide, 2-propyl- 5065.182707 3878.889744 3797.370846 3022.981322 4509.166538 4770.269238 4651.675944 6598.469863 4810.68204 6135.397442 6384.787682 2112.170187 5425.033288 1688.074583 5194.94138 4372.490512 6088.715654 5507.207424 4437.42774 2761.376542 3700.350074 3623.743245 2924.393558 3926.753128 2878.732144 6800.209734 4002.339277 4851.646928 5698.418234 4093.956369 6240.2436 4616.044096 2806.57963 5665.452927 3276.875115 2844.000724 5451.620482 4072.77056 4924.528052 4273.394948 2829.220562 3792.766268 3616.003706 6821.127996 4866.863776 3168.939642 2355.109106 3643.637684 3124.460141 5035.677033 3078.819243 3110.058655 5608.862533 3429.384088 N-[(diphenylmethoxy)acetyl]-Glycine 7155.357913 5105.722407 11992.10661 14388.93536 15731.1344 10485.95371 9483.126935 5139.254892 4661.630993 6861.353174 4634.575975 5787.648344 7646.659147 6756.545816 16718.03332 4325.747224 1708.0374 942.8094303 16570.46547 15676.83782 11934.20855 13468.02623 18704.07474 18527.67106 14634.09652 18471.02602 18474.34962 3321.73323 1751.262269 2330.128533 1884.51533 3908.946456 5269.343476 4657.61928 2546.531361 1956.101109 7164.055702 12380.55186 8927.220632 14363.92985 17153.0872 17362.43299 13480.29363 18792.48464 23863.34545 15396.1022 10565.04157 10921.72035 8323.975405 7214.349435 2662.234069 11019.70662 3110.905051 13309.07616 Benzyl Benzoate 4475.098078 4201.359741 5031.297666 3496.061443 3854.204008 4418.34344 3732.281564 3622.804684 2990.627927 1639.495461 1268.288373 1071.307758 1395.588159 1208.079181 1092.537991 362.1533956 780.2252852 1051.651488 7371.324869 7245.861218 6782.339337 6459.85462 8392.447815 7615.00065 6310.201631 9117.678661 8373.265667 809.7832333 1223.391626 1341.095287 1074.049347 2163.91883 1564.262658 1790.922077 525.5856147 1149.186551 6567.050695 6462.172849 5443.777968 7816.000308 8413.831613 7206.352457 7908.014511 8380.640259 10674.197 6812.485859 3683.287241 4711.234221 4471.811394 3759.164254 1968.955162 5220.169504 1370.2433 5088.288925 Scutigeral 2158.538921 2769.768254 5660.587808 4866.296353 6966.292948 3482.088314 1019.019948 2652.05379 5868.675239 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2168.079738 10006.64038 5734.081587 6447.109118 6458.265418 3754.810081 5475.183242 3742.53291 5348.382144 4.07813e-08 4.07813e-08 2.597426524 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4162.367736 7642.676178 6028.581653 13314.63191 5418.29324 6589.092115 4501.035378 5713.182657 11448.8774 6067.272547 4447.721031 6528.04972 3690.080095 4263.438015 4.07813e-08 1434.679963 4.07813e-08 979.7022225 Prenyl benzoate 2618.554767 2278.261822 3572.798708 3568.41691 4889.094426 2650.203585 5058.635446 7644.624371 4699.397883 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5118.552432 10837.88024 1062.927497 4197.472805 11180.83232 15976.42585 10430.39799 8733.238821 11186.17111 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.89612049 65.94886402 4.07813e-08 4.07813e-08 4079.058806 5437.249529 1225.730767 4229.325239 7317.738871 9989.669678 14758.88698 9125.361678 9386.958977 10923.17381 7933.077978 4852.590566 2027.947739 1668.299141 4.07813e-08 3711.715012 4.07813e-08 10421.66906 Quinidine-10,11-dihydrodiol 39115.82008 43950.4273 35192.81063 37706.99877 22898.85217 31903.89447 35481.29635 60729.71614 83794.47989 8281.71666 12204.43463 18908.2346 7487.843025 10840.45786 13486.13157 14420.01894 16587.98198 9730.813098 22671.00403 18509.89027 28103.42378 13975.04215 15753.77722 19783.04376 16818.15137 21744.26168 25525.98929 6351.549975 10943.61686 9658.406152 10111.41498 14283.04937 11171.12536 10383.108 11992.58703 9723.354246 16927.51508 25092.94214 27438.85349 27814.68728 26260.35868 19968.11253 22586.32409 25693.81172 19358.97393 23173.88248 28334.98575 25252.01098 23687.01918 38414.99741 8453.094317 23616.71579 9217.419507 21399.30843 Erlotinib 2157.970505 3064.244465 4943.757829 6860.713117 6542.437183 6296.595386 7853.615622 3055.523023 3195.751315 604.3601906 1335.224864 2648.231621 594.38227 1978.949875 2409.539193 1194.934927 1892.917698 1727.956468 11458.76327 11605.46824 9909.650867 10129.31151 11559.6445 9816.671593 10616.6618 11478.78079 12706.69401 2513.57981 3084.311043 2031.507364 3041.207903 3702.842271 2716.820187 3545.612565 2183.579642 1860.346644 8293.57168 7981.076971 7877.659162 9209.190176 10940.31752 9655.673458 9780.579583 10769.98611 14056.81123 7324.84826 4463.361116 7937.698669 6690.058563 7256.844566 3772.388297 8191.807902 3550.863954 7263.714644 Epothilone A 916.7499739 3615.431204 4.07813e-08 245.6175821 4.07813e-08 4.07813e-08 858.2497493 1798.549834 3691.450985 50224.01666 60102.60882 38006.70287 46933.52379 23254.09649 89610.27375 63734.34282 46448.20956 34249.17951 0.44045485 178.0503557 4.07813e-08 4.07813e-08 138.8951571 214.7868026 4.07813e-08 221.434932 57.75859991 31423.0415 66671.76151 20963.38726 78349.44 19233.47626 47089.72469 76483.14629 64761.7522 37209.05137 423.6696905 42.12008277 4.07813e-08 4.07813e-08 206.5199157 4.07813e-08 201.1665101 254.7029459 303.3856218 498.7308596 644.8982893 504.896105 8006.052398 372.4193318 28187.70164 303.4714609 25158.60119 4.07813e-08 Methyl 4,8-decadienoate 2765.377963 1477.149112 2147.443054 1680.541399 1634.714663 2381.156043 1924.216279 2575.040003 2236.378521 53.39979037 51.1719021 4.07813e-08 4.07813e-08 45.44280935 4.07813e-08 200.9685976 51.60164037 46.53704872 3498.843482 3741.227719 2622.712182 2821.804439 4343.28532 4414.573783 3390.364637 3024.831258 4285.669541 49.82840217 49.83362953 52.82811815 157.2937718 47.93542446 53.35513678 4.07813e-08 122.3322037 123.9378958 1840.735602 2725.885307 2614.319055 3474.60011 3157.008137 3951.829016 4536.300957 2882.36004 3598.493901 3103.521536 1610.890394 2268.477558 2144.878726 1520.990379 51.99884791 2681.84049 4.07813e-08 3186.965177 Phenylbutyrylglutamine 331.3370336 1351.98587 421.4958879 95.19607352 523.5867323 695.1666476 432.5014778 508.0527749 376.7793553 15958.50908 18117.09253 12744.28117 14983.44743 21576.68548 17670.26614 28122.39489 46757.73198 12059.60819 1280.718606 2163.134984 1294.917864 1134.299986 1863.613655 1897.917721 2020.596528 1688.943031 1766.779986 9327.438649 10866.96484 16529.01822 8225.347416 16989.56534 10730.84157 8997.668707 17365.6668 11901.96447 1494.349797 1201.647108 949.560368 1292.466824 1784.995575 1379.841728 1561.666956 2320.031389 2215.406271 1520.50223 1071.843275 1360.924307 501.8944293 377.9793239 11958.07757 777.856281 7874.405903 1659.67716 CAY10583 4.07813e-08 353.5115468 445.6067517 0.476940266 1533.737023 3930.151251 1758.187579 3420.509823 583.3306033 484.0185089 953.8463787 621.8174407 992.8535316 118.424956 496.0725558 2.524733681 2926.269917 556.7447048 1566.282229 4645.847768 97.73261359 1612.789141 10289.64272 18428.91828 2914.135498 6614.678646 7075.899585 924.7695621 426.5868784 1555.298469 379.7509874 413.6759556 273.6979532 1287.605094 887.2590288 264.7223412 1599.513726 1329.097341 593.1858878 2298.554763 2715.063889 4421.826894 17218.23588 5380.419917 4261.417596 8114.396772 2713.66177 1843.105421 321.9227504 1148.224201 3079.754471 530.9884176 2536.780649 3094.524996 Trimetazidine 4306.957197 3670.73917 4973.651374 4200.626335 6003.311731 4758.38706 5146.668833 5512.194316 5184.656487 943.6151358 493.6273461 229.3406949 576.0721603 450.7822958 545.0837707 497.8118189 450.8455329 611.0317293 8730.90898 7938.373566 5369.733781 7510.72509 11964.51076 10783.36262 9037.975557 12764.13993 11397.31343 595.2098702 697.8921132 651.5132413 655.5807954 767.7429068 962.3362466 614.1447144 417.0728236 545.8324112 5430.789328 8009.478604 5378.507082 7531.354321 8612.216558 9060.063776 9672.291091 11815.1309 12987.82869 9082.537315 6202.45098 6155.760943 4360.87996 3769.205337 870.8749857 5577.221616 1046.130122 6782.279147 Acrifoline 10382.0499 11038.66001 12509.75307 9942.614374 13564.45129 11974.82604 11685.46182 4832.914078 9291.12819 1794.37484 2209.264349 2057.902342 1774.633029 1952.604311 2360.085118 3828.118722 1438.217289 1232.123287 15155.25174 14136.44409 9467.048573 13788.14802 15008.86019 14244.27363 13285.682 9516.508617 13771.87909 1126.237772 1679.739916 3126.327089 1219.407593 2234.552839 4634.575686 1585.261583 1260.587502 1705.060291 10073.07898 12106.27496 11654.8102 11643.97459 14289.51946 14410.23497 12599.59073 10491.85874 16415.95214 13989.86061 11227.4665 11648.47651 8836.483978 7261.578376 2317.664634 9558.879862 1570.645272 8704.463254 Apodine 4.07813e-08 384.833716 167.5336124 166.7061388 4.07813e-08 4.07813e-08 409.3182651 178.861608 184.3330641 357.1205854 409.6895585 406.4329669 192.4782787 334.6973358 118.1912334 239.0899383 770.2727137 134.2862308 822.6605912 4.07813e-08 724.2902222 1384.020323 4.07813e-08 4.07813e-08 4.07813e-08 2170.157788 4.07813e-08 867.3356122 872.894408 481.1293385 1646.686961 1133.332764 819.0034697 1370.050396 297.4522267 509.2281834 1281.91567 475.8187973 1291.973516 712.6804644 530.4671965 4.07813e-08 4.07813e-08 984.9259128 1785.937066 156.7592789 4.07813e-08 788.9265208 481.7282854 649.4769546 1676.145748 1063.158473 1036.634651 4.07813e-08 3'-Methoxy-[6]-Gingerdiol 3,5-diacetate 1381.184977 1500.388277 2040.007657 1612.287043 2910.927881 2723.096446 1717.386659 1393.771038 820.1365131 103.0156136 424.1190902 16.48149804 392.2202935 589.4008697 1823.49432 45.70997102 0.072453005 942.7001028 7465.825004 6871.367062 5035.78166 5996.897302 6695.245583 5930.124252 4452.843961 5807.886645 6715.297511 111.6243919 91.73961395 443.5710852 150.7569431 598.2806372 338.0364233 41.75940134 2.345136882 552.3434542 2934.341322 3816.359547 3069.473778 5657.381953 5440.153384 7280.072907 5004.124761 5593.969027 9002.606657 6070.971037 4657.429162 3593.026214 2345.028319 1160.901856 934.2286907 3254.400082 4.07813e-08 2840.589904 PC(O-2:0/2:0) 6471.530526 3869.069914 6408.809496 7716.160776 8245.015096 12394.34923 11388.64184 6798.130666 2978.413142 228.7635556 192.8182792 25.03854944 316.1619525 405.6641253 404.1371866 569.5197538 4.07813e-08 208.0882917 5311.062035 8509.567965 3451.289133 7070.700157 6302.882768 9284.283043 5286.480963 4161.559955 4032.587413 283.3709466 162.1340482 370.8067208 167.9880808 299.9334587 205.9625815 184.9518556 4.07813e-08 137.3291734 5145.464021 8498.494392 3941.662214 6442.428007 7471.720713 5839.122453 8756.638614 4437.875003 3116.371696 11492.99144 3515.589219 7620.06319 5321.224654 2167.298356 337.5970013 4979.062498 386.5226166 10506.21285 (3R,7R)-1,3,7-Octanetriol 6135.409662 6286.269721 5324.965956 5893.355261 6098.02476 5744.312387 5696.55857 5021.31244 5263.105923 3573.182862 3525.195706 3055.40018 3791.895381 4431.01183 3266.439869 4806.088338 3913.580411 4854.336534 3534.606956 3604.504063 3581.713119 3892.967082 3646.616269 3661.058085 4086.585241 4853.126519 3951.530996 3300.448364 3930.895955 4340.700599 4779.444818 4218.511297 3778.103652 3576.84979 4569.888025 4029.434805 4784.583839 4940.269091 4226.02298 3902.89956 3657.522087 3555.093494 3936.03103 4597.825285 3955.436634 5122.183934 4395.289163 4470.650018 4254.330446 4164.963308 3209.120888 4189.591469 5089.975252 5614.528168 Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate 1333.949082 7088.280335 517.5259994 4593.077883 1813.543253 779.1303568 13643.70567 1811.814499 4.07813e-08 1074.140813 775.7787263 1031.678749 879.4201715 698.6277887 2312.224092 646.9482969 129.307708 156.3023604 2431.508637 1843.527744 2464.367838 40094.00185 1798.083955 1585.048821 12158.60781 2156.996584 1951.129144 1150.85581 742.9673962 1147.510721 753.3752993 427.843009 624.1535998 1194.483467 543.9061154 442.9651273 21624.044 1557.531957 2319.11486 1221.665441 1330.125034 1481.088425 1162.871616 2769.228606 2855.189051 710.5985144 522.580321 1125.497817 4000.259091 11715.73358 398.4527383 2830.549567 1007.018139 1352.296305 Prodiamine 1691.571665 2143.290831 3083.5337 3057.191352 920.8603734 1030.138412 2094.639443 2139.221742 1081.068434 2154.242313 208.5561773 1021.602405 2021.988231 83.26360003 579.5992487 629.7994507 1163.248114 1166.663937 6156.830536 2557.814854 3530.423453 3432.228311 744.0875391 2027.043679 1666.845798 9508.509658 4587.414827 2586.791225 162.4202335 5664.986351 4090.919404 3862.198766 1340.379123 1991.318459 585.6759864 3890.777209 5342.83469 1894.690395 5446.284074 2445.793531 2332.753299 917.6962746 1120.14481 11252.14754 4369.202234 594.7682011 1025.639436 2255.636409 3407.935074 2361.720503 1536.774996 2584.565043 2597.584351 2305.96267 Estradiol 3357.613032 2580.849333 3991.902172 3333.389102 4423.100275 4811.477137 5013.385899 4925.22364 2800.200316 115.3145354 92.18289623 4.07813e-08 110.5473378 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9324.640568 9358.59864 4070.284318 7138.184185 12332.37608 13415.55178 7966.13183 10116.28863 11239.48013 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3924.237222 6547.954287 3432.872513 7929.248658 9947.490075 8911.56667 10637.36379 10704.42635 10713.23046 9409.499631 6538.533233 5772.817328 2887.806992 2597.684173 79.328852 4567.122105 4.07813e-08 6635.140587 Diethylphosphate 1297.665156 1133.728393 906.3678202 1403.881386 966.2008802 967.6929077 671.5738992 807.3026609 1180.760129 669.2727179 693.9670242 453.8075102 620.4030904 675.0615067 598.1975157 848.9622416 533.7368995 657.835359 481.7753157 549.128425 694.5133222 578.9064905 346.8766138 685.1203769 830.939567 949.8166046 511.0978009 434.8684107 842.2473327 927.0005605 870.6911742 653.1595716 813.9485359 580.8530323 644.6011071 754.3353475 796.4696445 492.4157851 466.4205513 986.8855488 616.8628619 543.6471057 668.8330451 768.3644414 532.3949212 1045.966456 906.3216061 544.5249013 767.8262959 541.5322081 672.2332469 658.8264025 654.7981669 719.7788416 Avenanthramide 1p 402.4197844 497.78753 4.07813e-08 4.07813e-08 117.815119 423.9058472 350.9672076 375.4746817 385.1401362 4056.99221 8462.134182 2029.81524 2986.864211 4265.255835 1553.392513 5844.283573 7132.417725 10338.01715 4.07813e-08 4.07813e-08 4.07813e-08 297.6730022 87.127154 4.07813e-08 195.997228 629.6643021 78.13993415 4183.475336 1197.1918 6165.448505 2417.235844 9021.167267 918.3705182 1540.977335 207.8368169 4854.784244 641.6032347 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 140.877419 4.07813e-08 264.2243388 4.07813e-08 133.628352 4.07813e-08 171.7262295 162.0174359 3679.360521 324.7160222 7992.043889 179.5313772 1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione 14240.673 13029.07356 12815.60029 16956.85187 18403.58538 16516.09111 20937.71699 16365.95446 18329.05654 5964.579128 5886.414832 4214.001652 8424.948022 7728.649081 6473.443306 1829.987039 8964.835666 14474.08888 27107.22915 28766.807 21496.31664 27898.91821 30360.97444 35164.28007 26548.63185 18466.2296 19128.96118 4218.486017 6435.102042 8514.040566 8909.092147 21771.36304 10346.00893 5737.053728 2850.541417 17167.77523 21510.84805 24715.52141 20957.3285 21439.33856 29769.5779 31014.11589 31787.62845 18894.25543 22957.77843 30265.85367 23400.31592 28049.99744 19575.97886 18491.65747 19109.29275 22942.44152 7269.500902 18955.22451 Armillasin 2196.687191 1446.988363 933.4583088 890.1290348 642.3218477 2042.165876 1714.038503 787.4189991 1631.728488 347.7301034 4.07813e-08 319.112592 376.7937754 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1673.90595 4722.960317 4168.870995 3220.759317 3937.242298 5315.823773 4084.762929 3845.266208 4001.761403 5051.840925 4.07813e-08 431.4454406 493.6009914 675.5022937 1127.061321 479.8807981 339.0567597 4.07813e-08 2100.878026 4320.676763 3724.141317 3621.505053 4388.41929 4083.210852 4605.986062 3546.597189 4172.849737 4809.611356 4149.130368 3615.990078 3967.198631 3229.099756 2669.103626 1348.574971 2800.675023 1097.33305 3296.529132 (Z)-6-Nonenal 3027.101333 2627.689733 2560.274361 5657.444443 2832.97675 2946.33868 3376.429111 2200.29166 3299.3571 1666.823882 1625.141182 1619.655893 1396.82402 1701.905072 1309.582248 1979.386652 1794.826598 1685.131147 2493.403896 1990.712031 2027.273685 4630.954251 2900.415627 2523.44586 2273.716373 1944.768364 2032.409845 1631.277601 1656.044208 2154.696183 1830.192445 1754.106717 1650.606056 1399.775609 1946.064676 1627.71508 2724.77156 2115.003557 2195.901421 2972.033578 4437.606099 2982.369259 2604.708234 2209.90488 2002.053569 2762.044617 2340.547451 3176.319014 2932.357326 2395.240738 1472.583968 3045.144305 3015.573681 2490.505994 (+)-Elaeocarpine 2072.25326 1031.141441 1475.525898 849.3825726 891.2610506 535.8962852 326.4471714 1153.717496 1240.93073 417.9562321 211.7657248 149.9288444 126.2495557 106.3199561 52.99395703 238.6107477 304.1970514 524.5756658 4086.769345 1304.615715 5047.41211 3472.72933 624.4447913 4.07813e-08 1320.175408 5155.755008 845.4346608 1739.345874 875.1427488 526.1112678 1703.50639 932.321952 777.9615374 1228.729504 845.9044954 531.1201685 2843.610171 1995.629047 3296.926528 3074.211567 3370.581772 1531.017786 30.95504854 4398.775577 5086.371129 91.22726834 4.07813e-08 2888.720129 3013.503698 2956.176404 673.9379495 1907.780892 570.1609938 207.7549464 Pterostilbene 7186.611514 2741.730272 6091.730988 4680.236925 5933.126566 5935.0312 7536.984922 4867.262648 4673.812907 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7544.200668 13198.93171 1125.825435 4194.086979 7800.629276 11338.97406 7474.663831 4385.84995 9878.062735 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5061.101058 8618.95923 2481.097438 4055.677785 6371.65027 7321.824681 10463.86158 5748.201184 4660.724259 11721.07235 10879.88545 7000.121756 3922.115013 673.3968519 4.07813e-08 6812.539535 4.07813e-08 12125.71149 LysoPE(0:0/18:4(6Z,9Z,12Z,15Z)) 12910.69593 5492.115833 14939.49874 26367.00104 25221.00494 48789.20422 16583.98142 27681.9386 5803.105206 4.07813e-08 149.2599743 4.07813e-08 100.4482053 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.97044662 7313.445798 15573.09243 5048.257706 9696.895188 9640.314693 16153.28196 8865.127733 7161.455005 6275.433802 4.07813e-08 86.55301869 4.07813e-08 4.07813e-08 159.0456378 4.07813e-08 4.07813e-08 85.9243698 4.07813e-08 5417.407519 8556.491334 6026.117648 10092.36929 15532.27451 7560.208151 13138.22547 3945.770701 4170.871354 13234.82831 474.9988585 7270.289314 3721.683949 1881.636337 200.0195224 5087.92168 211.1347746 14188.74792 8,9-DiHETrE 4409.868521 2084.997982 4309.725301 6606.303285 5276.233121 6609.17198 3953.689968 3450.27702 2607.258413 16.29914338 219.6919296 72.97093582 10.16141316 251.2564779 31.56995643 238.94789 66.01521465 112.7073468 5131.508001 4769.584739 3268.729662 4090.615916 4391.58992 5449.80559 3627.260436 4167.422881 5106.713456 10.00231581 65.53091102 86.80547966 69.16684331 231.4427529 116.8669275 65.84104621 75.80383595 85.69796372 2852.551267 4754.36873 3029.285495 3851.839382 4509.223676 4966.186387 4889.794741 2761.294656 4509.625433 3300.944899 2854.870464 4453.645599 3409.474168 2043.545212 70.64970396 3572.103061 11.19282372 4267.932839 Pyrido[3,4-c]psoralen 263.6488331 165.5463472 2730.008856 2832.347093 2301.644329 4447.557177 663.1410081 86.91010021 619.0833841 4.07813e-08 4.07813e-08 373.7200044 98.08917582 230.1769163 4.07813e-08 194.2245738 84.37628877 4.07813e-08 711.1343036 785.2200367 465.5321829 691.5438979 987.2015608 1404.387638 193.9561617 831.414217 776.4386766 4.07813e-08 4.07813e-08 318.6285943 4.07813e-08 98.12946662 4.07813e-08 4.07813e-08 148.0633565 4.07813e-08 295.0736242 454.1685172 562.0194011 1939.331886 713.4794146 403.9588228 1313.13835 251.1989339 497.5092051 741.7633841 814.0737259 648.1699028 468.6754984 1333.840106 4.07813e-08 467.7479841 4.07813e-08 1532.468385 1-docosanoyl-glycero-3-phosphate 14638.52368 11561.49695 20364.59152 33948.60444 33363.28884 21188.35969 20837.51191 4526.79793 4919.669557 4122.753526 5279.890568 10360.57474 2969.36845 17751.63651 8906.591633 3358.888041 4279.865444 1093.090951 26064.23609 31763.5013 21327.27235 29851.01345 43945.03342 33976.21756 34877.03365 29873.15696 39884.5994 3509.891638 3066.041015 13367.01295 3312.557117 7205.449205 9211.841858 3122.13087 5444.354094 8145.041278 9770.459235 17373.86163 12131.88825 27292.91055 33624.66527 33135.98326 30917.65874 27110.13303 45618.49994 29710.84761 18066.47339 16281.03491 14470.20551 13351.98311 7341.546836 18215.8106 7247.039958 20457.35678 15R-PGE2 methyl ester, 15-acetate 7862.478184 8330.621447 7869.90317 10292.80999 11511.82734 9057.50741 8220.642658 2645.597092 5168.401182 1514.438826 2358.419826 2089.395883 1424.952706 1920.959397 2054.725073 474.9830638 3018.484758 2204.147538 6486.561518 10142.42509 5553.833809 9757.625401 11362.50564 10164.3375 7704.109579 5099.994882 6008.799848 2173.968079 374.1433715 1941.603903 477.6812909 690.9041015 1126.325147 123.610583 1345.659926 1482.657824 3367.53471 8313.625461 6284.761782 7238.491017 9333.150656 9748.68983 6756.760512 3542.349624 6396.388178 6414.136834 3360.350924 6440.537011 3603.62385 3720.467132 1292.691565 4929.565731 626.7047518 4562.817489 Kinetensin 4-7 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1237.037773 4160.418632 4.07813e-08 233.6216079 7207.458106 10556.6912 293842.0565 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 231.367156 4.07813e-08 4.07813e-08 4.07813e-08 25618.72373 4.07813e-08 9873.572386 630.2153072 282.3628711 11372.37113 3966.97552 84456.09625 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 215.2522749 4.07813e-08 4.07813e-08 4.07813e-08 249.8112902 4.07813e-08 4.07813e-08 2348.853283 4.07813e-08 LysoPA(20:3(8Z,11Z,14Z)/0:0) 4.07813e-08 10123.91129 4.07813e-08 0.851836135 4.07813e-08 2824.616955 2112.585302 18736.29475 11866.26322 38629.4037 34250.29487 52344.0493 40549.50637 93332.732 65931.20987 57577.78598 162760.4408 215286.6095 66.10705366 155.160723 4.07813e-08 634.2925997 250.0248073 199.8623105 398.5369871 4.07813e-08 56.53732062 209567.7451 147882.0135 93749.55611 213569.1545 255997.093 90215.66226 143826.9556 93912.03711 121021.2119 14787.86196 4.07813e-08 176.2138886 111.3274824 244.8297405 254.7718312 102.6648579 4.07813e-08 246.9632544 801.6471438 24292.61972 8481.436351 41942.60803 25128.35625 270780.8033 35021.21937 58540.26695 16251.87339 L-Fucose 13343.6779 13048.6133 12048.64602 11216.77113 11018.6629 8010.92378 8001.161893 15141.46167 14673.05165 8731.473363 6930.49337 6853.400867 7243.937015 6736.504955 4721.36477 13068.3125 9628.603957 10791.22546 7810.438762 8403.659204 6936.383264 6875.428771 6120.254021 6041.705595 12749.29949 12128.97865 10670.55787 7336.342452 7511.450117 7921.188218 7257.284828 5617.094434 11751.24104 8691.082281 9945.190281 10481.68907 8878.101369 6559.099012 6855.091031 5872.359505 11631.46658 10972.06422 9867.094113 11860.34542 9465.532652 7979.99669 7004.435371 6577.165774 13475.02688 11657.2035 9024.560517 10059.4641 10366.29704 11612.18689 Benzyl sulfate 6569.0164 6295.812397 4213.949425 4421.165065 4423.97543 4631.074287 5786.363104 6352.456345 6232.334148 3205.521656 4171.012328 3699.145897 3113.306084 3539.569827 3223.808293 3851.310926 4346.189958 2794.721356 4269.283485 4441.372451 3805.089872 3320.699742 3206.237204 3657.568037 3671.466576 5732.336668 3638.975792 2868.161267 4353.890068 2638.654568 3514.740077 3055.429061 3284.247396 4087.772157 4697.249552 3317.123163 4496.234568 4595.15748 4395.189877 2742.697049 2701.394639 4615.124825 4388.22546 3380.819523 3338.547658 5295.680874 4648.843114 4295.279439 6124.147075 3700.083363 2573.014873 4910.3073 5314.17172 4368.907688 3-Fluorobenzoate 7998.582495 8435.753247 7238.87267 7681.347613 6514.651291 6574.953244 6594.773576 6716.757524 8073.071433 4997.358764 4441.124297 4712.529752 4578.06814 5189.621059 4169.853141 6210.718017 4718.212384 5068.750316 4678.345225 5123.885925 5233.177131 5371.731781 5764.665841 4980.188691 6304.990797 6311.523561 5555.886415 4330.79495 5358.046986 5434.034535 5865.355294 4573.689135 5308.488636 4888.899652 5907.303004 5902.97267 6360.087327 5123.17499 6549.847719 4589.302166 4062.08214 5493.938568 6208.003179 6258.422847 5052.759823 6260.589184 5812.041569 5600.669957 6513.640774 5274.855404 4064.778841 6154.858874 6443.721482 6613.975123 Heptanoic acid 6175.785433 5917.18766 6492.44911 5861.992223 5812.012955 5191.723288 4900.785067 4934.192593 5197.17436 4194.185542 3652.384259 3293.994076 4059.480747 4579.956532 3109.504799 4748.42623 3867.085941 4482.165856 4012.049108 3815.114685 3658.366157 4448.793535 3714.022046 4107.539747 5454.511562 5157.412546 4507.325745 4150.696766 3869.016818 5156.848723 4328.629603 3886.532274 4169.139156 3514.384674 3842.471433 5124.024304 4487.186083 3802.069646 4108.923124 3370.033179 4102.741756 4343.650686 3773.293723 5866.546952 5085.589663 4957.201142 3952.529541 4312.895002 4739.26643 4787.516235 4275.940834 4166.597465 4393.745785 6059.463035 Lumazine 2150.611707 1535.921399 2440.999976 2660.738967 2925.116568 2178.022403 1674.53069 1933.375519 2215.697702 1779.260066 2044.002471 1317.195337 1639.527008 1721.416481 1352.896065 2991.047179 1617.600549 2577.467529 1490.291198 1785.817475 1774.879988 1552.898115 2295.788792 1473.732309 1865.79739 2116.359249 1800.47921 1363.13913 1841.338938 2529.33436 1763.216053 2241.182769 1729.854319 1268.07349 2446.925342 2725.503258 1686.157805 1621.097261 1702.220636 2319.094063 1509.675708 1807.187479 1372.358763 2581.190043 1700.834259 1814.236595 1701.212317 1457.365657 1756.817981 1689.929615 1630.142525 2410.302573 2030.161935 2202.817545 4-Trimethylammoniobutanal 11952.12555 6195.330727 2331.755373 1168.356913 356.4043395 8278.106107 4531.707081 15694.21343 19898.89589 2271.89324 3507.856896 6426.218733 1822.877436 6633.63173 3602.379685 979.3689562 892.5874911 8969.026363 15118.1146 5423.449984 225.6442743 688.6700555 4.07813e-08 6996.939066 957.846229 3043.637775 1427.717994 3098.755861 8470.453009 12317.1028 2850.533794 13707.77327 964.1797617 4996.449188 79.89485527 5610.03873 3056.541632 8725.631591 3454.296781 425.5075873 153.2242189 82.70538477 4166.668325 10880.46278 26.4087671 8282.497899 12674.11013 8129.509787 5904.870234 4078.915407 7668.710349 2078.413174 1907.981745 2917.275247 1-Methylhistamine 34859.84655 50114.22889 34241.77161 13708.3687 17991.33625 17611.60982 24701.08844 73644.42253 57279.27251 27611.67008 31453.2029 13862.5561 28852.76702 20119.99586 43711.5863 10087.90772 35744.68087 43864.13207 22937.14026 26826.95956 23510.84165 42875.33742 18679.74211 5355.474094 27829.11676 33232.61162 27579.93192 28058.64085 30846.23781 16761.38539 61133.51639 69558.32448 24729.50413 34463.78275 42351.07349 53047.27551 31721.43409 23266.35788 32875.78712 24961.23093 31357.99792 29906.58997 7324.147907 36923.37291 22643.51655 7390.07953 14175.6138 25874.42054 32974.43447 65349.68419 41344.64604 32688.83662 30252.97355 28913.72432 Ethyldimethylaminopropyl Carbodiimide 37323.09112 44752.32776 25195.90917 24446.28037 17278.19716 15581.67943 18136.34388 29109.59745 41889.4369 25945.82936 18659.02971 33300.46546 23163.57328 20685.07587 23960.64804 6068.054105 9043.047606 24194.37088 38707.48147 30253.76984 29561.20918 25296.27188 5404.959937 14407.75334 12066.56596 8975.90742 6791.608745 25746.60248 31576.87571 32267.72003 21532.12251 36822.68892 22304.36202 35809.72464 10081.33004 17754.40058 37829.48064 32253.17096 45571.58888 17897.75964 15858.48545 15415.10219 5898.188879 15646.18511 1586.141452 25405.37867 41529.7101 27190.4173 26652.01577 35158.55647 43014.73496 30657.44159 22396.58606 14608.00562 Imidazole-4-acetaldehyde 725.2172781 617.4824892 1049.244004 4.07813e-08 1223.19058 254.7481814 4.07813e-08 4.07813e-08 1786.692322 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 272.8201651 4.07813e-08 4.07813e-08 4.07813e-08 1999.154081 1037.996305 1907.842991 2059.979918 1535.964329 695.4255353 1710.061857 1413.795636 2033.001776 4.07813e-08 4.07813e-08 4.07813e-08 426.3449843 549.1063575 4.07813e-08 394.903957 4.07813e-08 133.7618051 1900.321246 1395.676296 1757.100924 2091.19448 2206.847955 1051.449831 1356.938273 1929.367935 3144.975472 702.7050106 771.6654511 1185.850345 1007.273757 1843.777232 324.6769294 1005.39092 4.07813e-08 1172.560224 4-Oxoglutaramate 7034.381695 8872.299781 4895.310132 9342.594596 3626.945497 5409.606497 7568.52235 7321.075011 10817.15431 5794.662983 12382.10471 8127.303271 7095.368648 3580.747491 11696.03505 12133.92362 5590.380195 7152.57297 2709.368783 2515.945256 2595.749762 2336.093179 2365.140028 3216.482955 2783.813292 2813.586312 3056.472291 17390.02169 11256.77135 6561.158986 9443.982883 3826.397898 7670.879624 15632.9684 12241.42495 8412.834036 2786.444121 2622.539673 3820.050581 3543.539022 2117.998352 2244.424226 1952.335445 2000.78053 1297.066111 2403.355036 4662.039301 2497.309315 3344.764249 4736.989779 6044.463724 2737.00875 6025.46264 2316.776391 "N,N',N"",N'""-Tetraacetylglycoluril" 2140.841717 562.1144246 803.4067758 1954.112439 780.427256 4.07813e-08 610.7087206 4.07813e-08 4.07813e-08 18312.05291 19723.1386 12802.97298 25727.99563 12629.52972 16887.27826 7828.115802 6854.579331 11508.05481 5610.96911 3479.12861 2951.441916 4575.799142 994.1501509 1694.336566 916.3097818 2128.201219 1572.845494 14575.59286 18038.94095 19412.53046 8915.257663 21824.84856 12776.27517 14041.54068 6972.844401 11476.09142 4.07813e-08 1694.498042 1866.321413 4.07813e-08 1720.80791 4390.700249 1611.419297 2426.637283 2241.296502 1393.872386 2452.276892 4.07813e-08 484.2298604 2151.799397 23665.64786 4.07813e-08 14644.70181 1767.358646 5-Methylthiopentanaldoxime 8922.772177 13310.52493 3197.00461 7541.861715 4848.324027 2065.186509 5895.934376 13676.37218 23405.02422 11932.79987 33769.20266 13045.08174 14790.77383 7139.299391 18160.33763 21526.35216 22542.06787 14460.82869 2668.127914 4622.451831 1988.125421 4105.546311 4572.352919 3694.884203 2846.639127 3549.781192 2908.006323 72769.88212 16793.09747 17660.3317 21948.32128 11039.29088 23496.23043 20550.25319 29936.17522 6929.67521 6054.11633 4793.455853 3314.018689 2032.9239 4869.519157 3510.800303 2795.555967 2051.209951 6262.101339 2185.535993 2331.511555 3893.100968 6588.881097 8785.620512 8138.407936 1353.268017 39241.52932 1562.793035 4-Imidazolone-5-propionic acid 11051.41318 13350.80078 10449.01417 11643.17369 15741.11616 9623.392717 6450.310306 17456.78194 26158.70477 11545.04856 11000.89885 10692.04587 15331.2528 9595.758363 2023.263385 6621.21761 16616.33146 14202.34739 17160.87479 20524.81879 7281.989238 11894.32666 8108.630186 13041.75543 11820.44955 23366.24634 22399.97355 10398.09307 20530.32667 13891.36808 6203.310489 27971.19255 8659.101767 7686.884312 4710.196977 12263.11293 26267.83038 8832.534562 8496.232592 9809.644541 8338.639672 11003.17844 12444.0591 33696.3217 11147.04779 53005.90328 37049.50926 17213.80927 12895.94939 15719.32976 13821.71389 18900.89574 15313.35667 15789.3666 Allantoic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3855.357325 8318.460637 4009.167041 5358.213682 1070.386823 1999.350425 4223.917644 4.07813e-08 2357.593898 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3154.669536 3963.817015 5282.707377 4413.888711 6820.071586 11643.1069 26460.13252 2539.914212 3724.282047 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10176.49298 4.07813e-08 8531.374033 4.07813e-08 Picolinamide 15273.61558 15791.90713 23779.11369 27204.21685 37571.99726 23016.40632 15417.56203 11053.64159 7172.775558 3337.252717 1374.530267 3590.551692 2674.128145 1660.676654 1992.171624 1486.316517 231.5469733 4.07813e-08 19199.61249 20322.59076 18113.77112 14060.90534 17162.83973 20241.57434 16905.18605 19585.11207 21309.73251 3851.775737 4064.548571 3061.601766 3109.990568 3363.175754 6909.260558 9463.792055 3320.913605 4315.22419 14380.68942 16648.15111 14565.08242 13832.3131 14040.87311 15150.21195 17914.08721 29115.11173 34217.50077 13313.33804 7491.392482 10894.39891 11412.88833 11135.17616 4422.417735 11869.75658 1862.815538 15286.62405 3,4-Dihydroxybenzaldehyde 20900.94021 23746.92091 25420.80793 30782.81513 28735.24379 22183.71803 21667.24312 17664.73187 16635.15241 14949.39365 18315.40998 20921.92509 16338.93442 19169.94749 14251.62128 16770.76419 8644.653648 11467.56893 21814.9875 23233.93065 19745.45636 21940.45212 24116.04458 19894.67718 20783.19445 22741.82328 19604.67147 19084.60724 17581.45468 20751.1946 12286.33594 21746.88338 20493.18104 14667.28984 17450.90813 15563.00864 19616.02516 22080.21111 22482.75823 21186.5795 19811.782 24338.51374 19047.54235 27852.44475 23088.3035 22372.31682 24951.35849 20318.94985 19980.02064 17866.45312 17021.40374 21990.78281 17636.83817 23702.8761 3,4-Dihydro-5-propanoyl-2H-pyrrole 22310.60863 19025.89052 18326.09696 15786.81883 18857.75228 14232.49332 13915.70497 19058.63187 16462.14558 11250.03171 16261.34334 8505.632547 12718.81768 7906.816516 9827.165684 7315.730394 9826.791171 10956.28632 29359.95573 21734.5637 25866.84716 22450.24573 20574.38172 25441.39849 21277.87026 20876.57538 22260.62467 9899.290562 11014.28102 11868.94535 11419.7236 16484.33955 10374.29399 18664.46056 9698.995837 17680.01046 19682.42012 19866.35337 23589.27759 22620.93745 20899.46659 21006.29758 22912.37194 21945.22666 19862.5205 26581.2286 27814.68127 21507.14563 22500.27772 28252.43467 15625.62017 25364.04985 15825.34764 19072.55472 1,4-Diamino-2-nitrobenzene 4575.323958 7358.117599 8198.262173 12318.17087 23584.88476 11567.38187 5563.874915 6985.771109 3147.325544 3872.167253 3176.573214 6057.226309 3917.818518 4339.129498 2133.207979 4062.627464 2643.191084 2579.479068 11697.74611 6868.030551 11731.47009 6656.210037 12687.29435 6315.959389 10690.97756 9407.867692 7687.89057 1881.632153 2494.614253 7003.158264 3080.436432 4173.915729 5253.805541 3260.855731 5488.457234 5654.246049 7592.138599 8742.405611 6713.143595 10778.66276 5025.00617 7057.512291 9650.043429 8065.289229 17779.76593 8349.187763 9055.460206 4512.110798 5147.564985 4462.732562 5703.438476 6201.086435 2430.231351 10812.41236 cis-4-Carboxymethylenebut-2-en-4-olide 1515.610225 4116.078336 1891.687333 1882.36408 2957.004398 1496.094346 487.6741778 1315.880776 2690.819971 5007.762253 6189.173471 7812.993717 5088.946874 6209.378121 3753.683161 6688.311661 5091.759652 5222.795822 155.8212263 1584.793434 2265.000498 1963.721736 856.7933928 689.497068 960.6464175 10142.7056 6374.592222 8146.248747 6516.254445 9536.478161 10533.94749 9744.580464 10147.5712 5738.755132 7809.634629 7302.411611 2005.081267 840.6391697 2221.819421 2223.122065 737.8909135 2074.5417 783.4351363 10243.47195 3996.674656 1288.13097 868.298514 431.9391944 2179.880513 3881.845772 11424.75146 1434.201223 12391.8731 2789.61151 Etidronic acid 6253.904642 6268.623196 7026.075689 5801.85713 7058.769978 5689.286842 5283.388929 4147.824853 5438.873454 3645.62554 2883.356273 3077.207974 3966.791426 3326.759936 3501.549669 5840.855289 3132.375881 4849.698876 5433.631396 3677.641261 3632.392641 4636.746587 3575.229408 3296.075437 4536.585017 4134.34585 3846.349375 2582.061741 3022.233433 4535.696326 3552.025399 3891.040482 2344.750065 1901.961808 3680.768387 4069.573375 4519.341181 4907.145768 4577.946211 3446.0279 3338.183162 3913.619177 3904.213504 3411.717878 4155.849582 4930.145694 4835.204004 3755.55141 3252.146596 3213.469946 2661.575938 3634.272749 3399.267697 7085.721822 N-Nitrosomorpholine 245.8852819 244.8230967 992.0837237 427.7311238 807.5668677 655.3792521 293.3251653 493.856762 86.37790712 123.8170154 156.1829065 78.00631229 109.3784379 272.5074887 28.69979765 104.7362941 128.8588151 62.22927349 797.2510231 784.9554109 871.3804642 861.1183339 848.2321744 924.5550346 838.0112051 1193.162588 1142.956604 29.80718918 344.3871335 265.2922442 67.62757753 229.1362413 126.7347466 289.461481 198.5370518 300.0502416 660.6017196 922.5026767 961.324586 985.3984475 590.0876226 842.4339465 751.8338788 1265.629576 1419.778744 559.7057459 606.1160759 441.3065225 611.864672 238.141492 111.161999 366.6580129 124.7246227 625.3207074 L-Lysine 1,6-lactam 2618.002915 2870.983416 1925.767764 1738.874367 1681.479317 2551.534629 3603.941153 3648.482806 1704.840098 4.07813e-08 91.91567112 4.07813e-08 143.4931271 4.07813e-08 138.5979991 347.5739643 61.85039681 153.6704832 842.691834 970.6505477 1684.190256 459.203272 541.4345979 1380.645174 695.9509213 1987.223923 1084.657332 4.07813e-08 87.4092625 4.07813e-08 4.07813e-08 93.59083915 144.5210602 4.07813e-08 4.07813e-08 4.07813e-08 732.933809 1054.839423 1660.607199 1656.860538 575.3529033 1096.50804 1163.059737 2363.266311 2038.503773 1121.431993 505.0389125 1436.510614 1240.192486 1125.811086 4.07813e-08 4.07813e-08 99.62418709 322.6940478 Hydroxytyrosol 8953.068253 7101.913779 7076.544151 7932.551066 8646.123657 7856.513609 4609.996333 6287.79085 7431.243358 4022.80199 3926.145753 3831.510704 3134.196077 3508.165757 3578.147977 3541.114263 3345.927921 4808.544019 16261.2782 9163.956005 9781.913511 9245.181543 12059.36462 10108.81895 9343.715911 14027.58589 10449.75785 7024.507517 3778.293185 4013.111234 4281.029283 4160.308569 5873.81817 5765.448832 3617.752338 3874.98262 10641.2583 7933.901505 7336.050827 10646.10054 9729.692024 9429.434053 10498.72706 14766.20337 11239.29004 10760.96935 7762.98704 8034.702917 7200.86596 4740.260735 4314.835035 9013.752615 4112.537132 8344.377138 5-Acetyl-3,4-dihydro-2H-pyrrole 8020.124675 9340.451315 5111.215016 6446.027616 4634.944745 5146.348766 8651.743596 9515.680388 12844.25949 3364.8962 3880.145862 5088.420919 3237.327667 2393.02043 7090.724752 3455.172914 2309.932069 2210.512773 2089.74362 2313.031467 2756.119535 1586.675431 1816.744787 1997.000938 2519.662552 2032.61309 2351.824624 7917.066232 3459.348788 1535.229362 3543.090011 1625.983801 3704.037065 6058.495443 6650.226286 2671.34471 4038.350646 3198.674346 3394.381378 3419.482569 2055.582635 1699.966441 2648.225334 2807.183923 1132.80451 2771.128303 5113.672042 3747.31413 4487.868593 6881.618174 2261.895117 3647.955868 4022.280295 3640.869198 N-Furfurylformamide 7578.391313 7503.252788 8520.264491 6209.060934 6819.200002 6457.862813 5710.923582 8867.810497 7472.672352 4751.706423 4110.565508 2805.079464 4145.778772 2763.253572 2731.951443 3102.124189 2920.172057 4406.869606 8052.218433 8058.621754 8442.655195 7385.976604 6746.736237 7166.835121 7554.688986 9042.935208 8685.843268 3279.194908 4496.765301 3502.443347 3857.63854 3751.7967 3509.91949 4651.712131 2855.879875 3682.82423 6729.600577 6537.394282 7693.528306 7136.26651 7720.819833 7616.033963 7272.958053 10095.01828 8278.77935 8042.153561 6453.125642 5531.398041 7163.191594 6813.910262 3995.169244 6711.819866 3986.647066 6998.702426 1-Pyrroline-4-hydroxy-2-carboxylate 838.2922279 4.07813e-08 192.0223553 469.4041333 1147.361378 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1010.158091 310.4683646 4006.405366 1775.114945 3612.745682 4.07813e-08 2379.574484 244.7158488 4.07813e-08 143.1637971 46.89826342 4.07813e-08 4.07813e-08 4.07813e-08 129.1428057 53.83045247 159.4977634 4.07813e-08 3773.569113 221.1650454 1619.828498 913.4907402 2210.032933 3288.418526 4.07813e-08 176.5508389 2898.914698 4.07813e-08 4.07813e-08 4.07813e-08 87.6155772 162.8861473 159.999051 4.07813e-08 4.07813e-08 4.07813e-08 6-nonenoylglycine 694.3941631 3259.577513 1057.658495 398.6061894 1681.431815 401.7293867 147.3355329 860.9667997 123.935562 4.07813e-08 1149.886773 4.07813e-08 243.3940504 111.1804875 208.7885275 4.07813e-08 4.07813e-08 4.07813e-08 2003.158106 2587.479143 6833.454576 2527.031421 1375.850995 811.8077212 1191.134541 7738.722288 7278.563837 341.9123772 208.6001784 1977.764912 3022.580153 1736.257078 4.07813e-08 4584.192531 948.9493505 10014.16919 1818.094481 2288.13133 3669.774158 2580.998405 2292.007087 2222.575023 264.2692551 9823.569143 2539.124833 1160.630431 520.1442281 1359.864257 3531.673635 23116.41741 1500.656361 1963.84664 3365.274976 1632.889405 Hydroxyprolyl-Methionine 4969.529498 5133.608858 4410.437932 5384.65085 5463.956628 5082.549316 8127.36528 7093.426144 7609.991627 364.6196542 534.6531763 1083.817927 777.1533529 720.7673896 595.4187647 73.81721406 260.5668676 485.7296875 5689.359833 12592.08726 2988.729826 4073.559697 13146.68909 14828.72264 10622.18384 10575.00055 10031.63734 261.1954969 846.8999546 701.7989767 346.3123123 385.6479937 326.4160965 451.0170672 841.9199529 345.1212517 5104.953483 7886.651399 3240.845518 6074.483725 5080.515595 10657.64296 10912.20978 6066.594482 6524.913034 9160.266284 7716.323413 6249.770334 3654.364972 3791.613505 293.0191329 3794.375876 446.8197331 9750.824848 1,2-Diamino-4-nitrobenzene 3090.556348 2841.159185 1983.844109 1954.592306 3713.386335 2157.913894 1906.327896 3274.745108 2891.319358 1112.977351 1135.736992 1703.318695 1309.079879 2469.33562 2509.183294 3284.517806 4038.809921 3118.768393 1060.747491 1421.39387 1260.127318 1341.838251 1207.468468 1223.246234 1278.846772 2027.676211 2662.815688 5730.714249 2161.464736 6034.112427 3999.916378 6146.878349 2814.831604 946.6570961 6330.715778 4614.513451 1705.12175 1214.676027 1426.567763 769.5101618 1490.584559 1228.757687 1364.618554 1954.852974 1636.803574 1811.009468 1504.503524 1456.305528 3151.897759 1680.841399 3019.1793 2088.276291 3865.615648 3418.58406 3-hydroxy-cis,cis-muconic acid 1469.023467 1874.314568 1676.193908 1579.619297 1890.465389 1357.445899 1452.735335 1485.308377 1522.57394 1374.445622 994.3912159 1139.418137 1043.995344 1216.762811 853.0692359 1069.354686 1102.661473 1191.118361 1293.151375 1437.355988 1048.904634 1221.658399 1144.87375 1030.263727 1282.175148 1371.898387 1341.19856 1114.190443 1132.145025 1487.364344 1372.859497 1115.906054 1260.664661 980.8670023 1225.381129 1261.380274 1517.949334 1357.732542 974.2344155 811.9655003 848.1568175 1043.614629 1112.705508 1517.85629 1170.368184 1655.627897 1077.71782 1228.741878 1206.344309 1320.906209 980.4143068 1396.1508 1223.519937 1553.576944 ZLJ-6 124.6865937 1007.964723 45.91671602 995.9028861 2569.364859 10.5269395 381.1453463 0.349912703 5.269471983 28494.23753 114083.1912 203466.3488 13059.84767 108087.9233 1229.391845 36002.25929 115.4450496 2350.471528 2586.676376 1858.699415 1571.880709 2210.834037 324.1473086 707.658401 2254.483075 4600.10403 588.7684818 4.07813e-08 2353.439304 75821.89877 782.8676243 1482.856953 8401.820458 641.3482013 1343.879772 25154.34496 1499.620616 720.0162995 1291.217924 303.682548 1337.481182 2352.15359 431.2270349 371.1347696 3680.991793 366.9288633 468.5480865 40.63454695 48.14855613 4.07813e-08 1629.14831 203.5729335 8095.118969 165.2977956 Pentosidine 1600.309914 3688.669972 770.4203784 3009.81301 106.5613397 1120.697071 2259.450691 3471.094863 4678.835901 28014.0782 39216.96702 33712.8664 29852.49011 11682.64739 46993.52397 27390.43122 11226.1593 22003.82343 520.2392099 477.714664 1589.098558 421.8904176 749.0426351 851.5762839 614.0731153 822.5023997 421.6080509 17882.9312 40243.60651 29514.60079 49352.75384 29644.07835 24136.528 32121.96308 18233.56088 19812.36531 566.2429389 1367.333272 477.8890454 1500.526369 224.2875778 625.9132965 812.2404768 1575.286898 976.0257933 103.6506454 1761.519926 94.88245572 1789.393578 3767.229677 30614.59312 1024.913674 19126.4552 870.4489313 3-hydroxy-3-methyl-2-oxo-butanoic acid 11207.8361 11677.78126 12514.87944 12326.19694 11123.10658 9393.154062 10260.41558 10174.12649 10997.37511 5674.065415 5030.107549 4997.887744 5561.970113 5326.600122 4473.186874 6820.027602 4995.05553 6109.999392 9254.94452 8265.906096 8856.300876 7466.630324 8006.569808 9043.165178 8189.198759 9982.587298 10705.99212 5383.07339 5318.683293 5850.005471 5778.689372 5721.447769 5869.074731 5353.094908 6004.353479 6646.371658 11256.34282 10636.75241 10951.02264 10652.71594 8771.222162 9361.091371 10989.35753 11871.21977 8078.800641 10507.45375 8205.853224 11656.41027 13410.75894 12547.17827 5118.513244 12846.5304 6806.399615 12945.55923 2-Phthalimidoglutaramic acid 14089.69901 10425.18834 8307.394594 11018.46217 12576.11868 12175.06099 11689.82885 20946.35834 8753.97685 1270.395661 707.1572907 668.8921198 1488.299703 402.9107999 927.4356626 77.21818556 442.7522605 230.1748172 6873.815935 8887.709814 10256.40511 11809.22624 19626.28037 8364.634146 10971.16905 8856.31081 14615.33179 598.2153118 481.5788867 4.07813e-08 176.7431534 979.0221028 321.4420314 1381.161846 213.6886463 4.07813e-08 7377.960309 8548.298423 9518.238289 14007.25604 11429.11095 15278.92427 8051.99462 6758.725239 12999.20412 4734.225527 1166.239066 6416.873311 9329.614146 7139.16232 1197.201225 9124.545969 454.2666898 9044.867842 4-nonenoylglycine 13364.60601 11940.79501 13985.45179 13750.05764 13858.55348 11106.02378 9593.14932 17119.12575 13582.84498 1584.573754 1684.062838 2366.181768 1738.819621 2069.245226 950.2650985 1344.496244 928.7821506 1235.520416 17755.9945 9435.980484 23219.34908 15838.80173 19918.10907 10968.21669 13542.56812 8750.823811 9432.139916 1355.344391 1421.237803 2221.090711 1369.962906 1931.233804 2304.503946 1735.031477 1178.07093 1967.923173 10130.52119 17497.06345 19591.18749 20490.36468 17498.16319 12419.27989 11033.10606 10646.62499 12469.45575 4840.755654 8364.44341 13248.38326 13743.44836 12346.37022 1996.488222 11233.92695 1502.191691 9617.328172 3-Nitrophenol 1535.548501 1495.568549 1739.519653 1599.899717 1527.259485 1275.315901 1435.395089 1483.0877 1679.455634 1245.077748 993.7178517 949.8194443 1316.859221 1061.777411 846.2823258 1623.652799 978.4135706 1112.73863 1176.017553 1057.723924 1032.724381 1020.686431 1088.83502 1043.214598 1194.408316 1273.470184 1179.077432 943.2792923 1123.192773 1057.158162 1065.709818 984.876004 1132.323147 862.5919828 1048.925881 1363.794365 1099.400874 1041.115456 1017.46384 906.7638252 875.8739299 1184.772712 1111.425348 1558.259037 1123.483841 1248.691389 1093.719066 1138.207492 1262.323011 1262.610107 959.7811086 1211.577839 1485.582838 1321.727985 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone 2007.945007 2340.299126 2368.858997 2400.0891 1769.153768 2311.558514 2344.487648 1712.418032 2072.265215 1941.987899 1305.946216 1695.334983 2195.631588 2015.999953 1449.243791 928.7965322 1283.234831 408.2981102 5611.582127 4561.236085 3591.499936 3831.024387 5334.445173 5029.126507 4634.885972 4429.586403 6938.422419 2504.044946 1287.133384 680.7266619 1407.790302 2505.196929 3037.727906 1443.220586 636.6823695 1117.528761 3630.66103 4634.715286 3768.819809 5727.407838 4046.164489 5701.418077 3874.923441 7135.985907 8803.884247 2786.346216 3479.54273 2797.60792 2632.378282 2631.144365 2002.826826 3350.586787 1394.321569 3302.508542 5-Nitro-2-furfuryl methyl ether 1731.360121 1729.543153 1424.234323 1703.435937 1515.761333 1327.14696 1112.548166 1655.270286 1993.080769 1063.329041 819.8346823 985.4016629 901.759565 1202.846119 779.3193236 1234.250855 927.2026028 1154.326803 1026.026307 1167.947778 1020.140146 1165.851603 906.4808187 1195.419646 1312.767127 1394.789027 1150.597923 880.3749009 1153.32589 932.3600342 1189.537067 971.2511297 1129.866862 1052.714311 958.2263287 1228.495664 1300.020264 990.5908417 1258.817189 1038.449847 1195.26098 1466.478205 1233.121534 1439.781501 1238.045578 1324.198688 1129.839234 1054.614877 1408.585337 1367.236627 947.3357104 1490.531711 1319.145817 1284.063442 Bis(2-furanylmethyl) sulfide 3724.955905 4933.258507 4454.785835 6430.677051 5403.542525 4167.615607 3962.796652 2326.096107 2233.89508 1252.554477 1000.243135 2085.389596 1307.565459 1625.877609 553.3902287 758.1255028 159.6991054 387.6568413 4677.293341 4480.829649 4088.735474 3720.782705 4537.987893 5772.165958 4527.066479 5029.708598 5586.578669 631.7414896 896.6777193 2285.660172 640.7134027 1667.582848 1983.990734 1673.004702 702.0218864 1043.739456 3857.166483 4013.839613 3837.465436 4482.744747 4233.880534 4217.320691 4628.794206 5347.822008 6332.171515 4090.25647 3256.195651 3827.074563 2263.902683 3012.95886 1726.439869 3464.202062 800.4677639 3592.061222 6,8-Dihydroxypurine 2121.13292 3197.125151 3448.080435 1443.018548 2906.578239 2490.290606 1573.931877 10373.04135 5071.123045 122.1107906 216.6159615 225.2398269 68.97725637 97.69021906 85.98617428 66.6513109 25.58210663 101.2608527 1055.172246 1664.565651 301.8731186 116.4127805 1087.597419 2063.034805 1213.237067 48.58487609 1800.877866 152.1300239 107.2610351 93.85121587 141.3442903 274.2660552 186.7690095 255.7881912 101.2538442 223.8823485 576.4903645 1533.631206 1752.754739 2123.319334 1674.541662 1681.304887 5844.174539 4.07813e-08 75.33791947 9615.182784 540.7396678 7548.452642 3633.984105 4014.82531 132.8296477 6631.118978 180.8780844 2799.676658 p-Cymene 7489.015472 7612.682223 10922.89176 9301.324677 9577.483208 15949.69759 11372.64526 12233.17571 11605.49745 3164.186445 3035.503618 3123.136138 3044.166676 2952.027032 2825.936375 3742.859489 3305.600466 3764.935469 7766.783308 15243.01304 11617.80597 11892.89552 12158.97426 16229.35075 11966.23791 7194.128347 4745.824562 3167.119055 3138.52126 3630.479025 3680.181475 3220.176246 3458.497273 3200.228986 3845.925434 3907.142774 8474.52295 7948.415323 9213.452639 9712.410737 13736.9975 7821.704691 13552.09811 7496.261003 4577.858631 21701.83047 14102.55832 15887.37855 9968.124852 9831.03836 6309.876764 13375.6968 4293.265237 10366.78165 5S-HpETE 5316.137465 1307.388654 3508.909334 3985.930011 2429.178156 7305.864125 6800.427911 1690.504747 2233.134722 1235.155626 4.07813e-08 378.291944 825.7388941 121.7998483 1515.135563 201.8068185 303.9301903 248.3942155 7362.615963 4440.395598 5756.039424 8648.853086 8917.413646 10835.49803 5508.665722 4876.274063 3985.987076 259.9916012 4.07813e-08 421.716162 386.8248859 206.0299623 158.9171922 452.1701567 3724.482385 396.3853858 7690.642956 4596.051942 5234.456022 3967.691164 7919.249711 7475.668364 7884.201042 3297.28542 3048.978397 6263.335871 4634.542501 6643.009341 2437.145894 1354.336492 1632.789591 4245.274048 1175.614798 5853.782325 3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide 25418.39302 25213.98627 27633.60395 26322.59721 29096.21952 25156.37515 26750.49568 24177.3858 24514.75053 17394.82603 17516.34578 16461.26835 16935.58757 18603.89911 16156.76434 21377.08212 17191.02369 19194.49393 19757.05712 21871.50649 20523.168 21727.68017 21190.08562 23639.41988 22522.36155 22380.58155 21490.42655 14895.28779 18025.73757 20110.3647 20827.08983 17380.20627 17832.45682 15513.92054 23207.03688 20754.61806 20548.56966 21866.08024 22542.41081 22590.29798 19618.28355 21297.08952 21787.6864 24490.61171 20806.6687 27877.3932 23960.05712 24465.71707 21813.6721 20807.43799 15306.65555 21638.42168 20441.11579 24929.85672 Acetostearin 4.07813e-08 208.8963045 814.1057265 4.07813e-08 238.9450304 1704.779867 705.4059067 4.07813e-08 4.07813e-08 140.1370552 4.07813e-08 1242.052125 523.1300151 1851.527241 2835.476192 4.07813e-08 4.07813e-08 851.0906575 1742.314463 2460.689252 2296.79269 2314.273353 1232.629049 1271.687289 807.4366699 4.07813e-08 4.07813e-08 4.07813e-08 177.3000604 4.07813e-08 582.9164463 4.07813e-08 4.07813e-08 601.6640492 4.07813e-08 4.07813e-08 1587.725082 787.648151 1366.937346 1029.15555 890.1118665 4.07813e-08 1079.083837 182.0924051 4.07813e-08 1298.481323 2302.786779 1780.137893 692.3905959 193.0862571 4.07813e-08 1337.112726 4.07813e-08 229.5517605 PA(15:0/14:1(9Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181.8782606 600.8963166 4.07813e-08 276.6415565 1507.896278 1071.738427 1022.506843 4.07813e-08 4.07813e-08 4.07813e-08 1893.709776 1180.880334 1077.658604 403.2247828 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 252.7228156 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 293.2143714 4.07813e-08 539.8260814 428.293142 2541.78504 286.8853158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 805.9925562 Isotrichodermin 27377.58244 27929.48823 24591.1866 28202.28467 23804.90344 19890.85851 21113.00331 23893.44762 27655.44369 18982.70892 16238.98312 15837.91766 18127.62111 17043.46531 14144.36087 19243.16796 15981.16289 18516.98418 17496.78962 16862.07145 19021.52394 17370.13094 16101.99923 15422.20601 17772.02373 21729.32908 20015.98613 15082.62317 16743.74854 19858.12316 19559.13697 15941.49751 17949.58668 16786.15905 19328.66466 22286.60396 22692.84644 17620.14631 19176.96995 15158.04113 15956.93057 17622.90019 18950.52114 22376.03625 18804.28378 20414.1036 19924.43302 17820.62217 21305.92533 21344.58897 14878.26083 19282.92902 22400.39387 24297.82333 22-Oxo-docosanoate 25999.65279 27386.94388 23608.0923 23273.589 22517.49547 18568.84107 19201.88947 26635.91351 25320.29458 16820.51686 15848.13853 15293.96075 14808.74736 14197.89874 11442.06755 23120.80647 17302.10564 20059.52365 15771.83985 17559.65829 14750.52088 14906.47308 12655.0506 17216.81479 21623.97579 23627.17883 19908.89346 14274.50977 16385.75145 17139.96311 15399.9144 14859.5059 17603.366 16776.87349 20920.91364 20813.37123 18902.49433 14361.27855 15353.48915 13109.81246 17079.26862 19984.10016 19780.58587 23263.30512 18509.65287 16664.31027 17138.68264 15324.91538 21851.08305 22130.34822 15967.94945 19853.42637 21389.35797 24075.90337 N-stearoyl dopamine 5500.779215 7092.403185 7844.389288 6274.469102 7262.179919 6307.320604 8936.057703 5010.859962 7532.626484 5031.637227 4658.883334 4418.74765 5689.083165 6033.530231 4560.352232 7407.909051 5286.485653 3474.83671 12546.0725 6602.99887 4103.799242 6131.077736 6391.616979 17321.66723 11343.85806 4938.634706 3560.596205 8500.658426 5174.207991 7017.205037 6800.227106 6603.396672 4313.034562 5174.23466 18879.32264 7353.100571 6174.554079 4774.853151 5292.530064 5028.292091 3356.483291 4774.243017 4939.857741 5576.294152 10591.54613 8230.747913 7064.867268 9142.663926 3865.806428 5092.538399 3609.241337 15214.49381 6769.112554 6888.836423 Pipericine 209392.1634 215379.7591 219246.4587 212780.4197 213783.696 176914.5378 191110.2301 185235.1785 190116.9706 167388.7649 141862.8311 137165.9957 140388.1046 175861.636 122385.4597 185659.9893 124001.3395 153429.9874 146035.2517 151701.1602 135840.2839 142477.1145 135463.2749 141479.6742 146598.9092 177696.3118 157101.5466 126946.1486 146597.7056 168225.1692 166429.5985 136749.8753 132331.0954 130113.9022 211315.3097 174844.2658 169788.3598 141968.2969 152435.8187 140228.0541 132689.185 151127.5654 136307.0765 171596.8207 161944.776 174008.0264 157455.0521 168102.8833 160523.111 152077.2946 117994.3835 165586.5321 174309.1114 196978.2587 Eicosadienoic acid 283.460402 1161.036583 1389.120672 1336.955465 528.2358395 284.9349455 325.2143401 212.0230422 250.616944 59476.54628 25609.27524 2896.18877 27779.88974 24576.43031 443.9302207 25499.58498 12655.03783 41948.32304 499.5174217 766.794769 1647.579049 859.76816 998.7205489 494.0996039 165.2333497 199.3181757 337.9215614 605.2381846 2459.447507 5281.607042 6166.750116 406.2064109 180.9536161 4.07813e-08 2835.900631 15689.93348 752.7138543 413.6041617 703.4525922 449.5956962 137.1011562 292.1577747 786.4871419 873.0434276 141.5504155 778.1237008 757.9624471 564.2503436 177.0819115 4.07813e-08 466.3322566 623.15822 30731.74338 822.1543109 Purine 48207.67405 48279.03275 49134.11057 51736.77408 50842.58801 44185.03413 45875.09714 33646.56858 39842.31345 33072.23208 33137.46237 31542.61802 33465.75002 35941.79107 29542.79422 30134.75479 24698.25904 29943.93593 33336.72173 34785.38773 33628.27476 35338.56428 32575.85042 33991.14103 28091.00202 35997.89908 37246.25264 29653.32222 34995.61648 40021.76472 38663.70863 34676.67079 25710.48048 25840.2309 32640.26555 37695.22938 40413.175 36505.8919 37315.77702 32514.1675 22456.40937 29516.10212 32715.63677 39580.40127 37016.78591 41106.59272 38803.68495 37148.33679 27708.81923 32500.38218 27302.03011 36313.13089 38517.76316 44585.27222 N-Desmethylmifepristone (RU 42633) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.680849555 4.07813e-08 147621.6851 273943.9042 20230.63791 60734.20386 510676.6933 4.07813e-08 611525.1483 66707.4932 26777.96105 4.07813e-08 4.07813e-08 405.7835693 4.07813e-08 4.07813e-08 4.07813e-08 5.542394831 4.07813e-08 4.07813e-08 4.07813e-08 4381.308751 82378.07124 28309.12884 4.07813e-08 4.244322031 4.07813e-08 29551.29912 179857.0529 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.306623248 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35.2577727 4.07813e-08 4.07813e-08 4.07813e-08 138799.7387 4.07813e-08 2-Acetyl-3-methylpyrazine 300844.5556 301611.6697 285909.7178 283388.4896 281753.6489 242057.5242 249483.4655 268354.0247 276045.9951 187141.1945 176125.669 175157.7124 183117.9145 190486.2418 157901.0113 227704.6745 175610.1553 206054.756 194052.7494 196777.1156 188201.926 192118.3806 181314.6321 190556.3578 220399.4151 244324.1965 225983.1269 169589.3783 193641.8803 215021.1919 211726.3973 188600.1203 194985.6685 177265.2771 209461.1049 222678.8303 229199.7774 198900.826 204457.2419 179688.1577 179117.2655 198352.3591 203855.0773 246470.3374 220466.6811 229114.1006 217530.7843 203667.9665 225158.2022 222070.9595 172103.28 223478.9791 228601.3315 261288.875 DL-Histidinol 3592275.479 3557268.597 3465563.66 3558879.142 3495331.502 2881961.973 3167349.697 3389798.624 3332357.187 2335055.041 2175156.916 2150518.985 2260209.155 2322599.849 1991755.211 2865773.334 2112023.342 2452734.612 2348772.905 2458794.711 2345192.612 2342836.38 2279803.655 2507609.251 2688466.343 2924339.062 2766368.964 2114856.227 2453085.067 2629892.917 2627043.063 2468018.343 2396048.266 2081790.612 2518673.941 2701717.094 2876449.97 2431963.163 2503375.903 2413655.261 2237470.347 2367831.371 2393050.316 3001151.786 2667912.961 2835273.854 2586204.824 2683728.991 2850482.216 2659439.382 1991034.392 2729456.75 2685369.151 3178743.617 7,8-dihydroxy-2H-chromen-2-one 11863.30597 10328.61929 14270.91801 20753.77588 20782.19056 14804.77263 13238.14664 5111.563227 4300.024291 587.9904213 678.7746157 256.4935448 386.1837694 1531.492055 596.7061059 511.7410805 38.22507795 37.45888486 15113.38427 12758.1024 13349.49772 13625.29728 17040.29004 16026.29567 14820.0804 15906.08164 16056.73035 124.3920996 317.8193915 1609.671696 4.07813e-08 1713.159214 388.0007821 385.9727877 444.0837721 255.7897497 11360.13407 13965.69472 10860.04705 14946.64753 14907.60474 16887.65041 14370.29139 17107.60188 19148.40095 13541.07814 10610.72695 10981.51311 10291.86128 9248.350725 417.2534267 11039.25391 284.6175847 16106.19196 4-(2-Nitroethyl)phenyl primeveroside 60419.30352 40408.83125 1830.65035 57035.75286 99102.4674 19570.54515 23890.02912 7847.421734 1951.303758 13949.43111 1566.322215 21877.64249 14219.84184 12581.57795 6968.485341 469.7295162 4.07813e-08 15898.7555 79113.80286 20759.88793 22036.57479 46069.38539 31931.49226 26088.04134 54635.90572 1396.687255 18396.34276 594.8391888 19709.83714 2580.455789 8484.072212 1285.852996 314.5639706 7204.397856 4.07813e-08 2560.137682 127298.9971 43292.79391 47048.1562 27443.29637 36448.28184 55972.34693 28925.60133 4749.935503 1689.007534 128406.6547 10224.75354 63151.88368 44140.33873 28738.11057 18938.63474 42476.30012 5353.748452 36071.86226 2-Ethyl-4-methyloxazole 813.4942544 676.2920342 751.6369058 563.2666906 548.1570225 554.1553513 716.0157977 672.9251734 1000.513741 299.9479126 351.079756 519.9851296 379.1016362 494.3645421 493.7946159 257.1297381 295.5335081 453.1668474 603.0647737 813.8921198 621.4108799 602.5518629 532.1049607 582.9135712 756.233618 713.7270045 694.3160713 356.9022363 390.4188552 350.2576391 252.0424994 369.7903587 303.2471074 365.5236357 567.9909257 629.656181 439.1923385 575.3349351 603.2583493 570.0207809 547.7122492 653.5201005 556.8025764 576.2556897 608.898321 694.9094537 600.6123214 627.3137752 669.5554127 523.3830121 446.2647456 516.7401816 544.0613979 829.5275105 Homovanillic acid 11224.60532 11159.20141 10662.04036 11199.15182 11406.91718 11308.95987 11282.64654 12452.12085 10659.04374 4844.401036 3975.771976 3647.102555 5034.486115 3240.278761 3294.798372 2284.546881 2490.917656 4487.75917 16342.51656 15325.17314 13166.07754 14135.7215 18366.68258 16074.01923 12883.05574 17396.48212 16370.15504 3853.004304 4390.657252 4111.995775 4021.323798 5465.839128 4309.495766 4612.024741 2470.250885 2899.199871 10878.36361 13589.95672 12453.34779 14727.80806 13266.49117 16779.16705 14142.46895 16742.17702 22099.63102 12377.17845 11484.94759 11976.2491 9715.147591 10125.20353 5423.014322 12854.55336 4130.621812 13155.61424 N-Acetyl-2,3-dihydro-1H-pyrrole 888.866335 932.1511672 776.5782505 1216.311844 723.86844 934.1797431 1063.21669 660.782067 1091.105345 596.7288038 373.3776272 600.3531095 611.7418312 535.6823245 422.2229942 526.6487861 500.7983618 706.9496882 644.1894989 576.7234181 716.5162717 542.3235139 510.5101848 523.5156914 598.167516 645.7296093 529.005898 661.7639518 708.5590796 686.9949418 702.7942882 477.2593775 541.7165113 535.3779074 909.9817795 656.2662958 535.438631 597.3968519 735.4258763 689.6199175 586.7397684 578.0399053 587.0205357 779.3796321 557.2466946 658.6135143 780.1769776 863.1921 834.9072923 664.6978394 520.8306166 791.12681 658.4615948 735.4703671 6-Hydroxydopamine 1748.698159 2479.34403 1518.828613 2355.3714 1346.526171 1561.053018 1911.294706 2626.509448 2747.391724 1209.357444 1055.590283 1070.898114 1372.000144 778.9835746 1138.361016 994.883517 1128.276989 1117.656342 1073.459111 1875.365302 1534.681757 1171.075734 1516.905033 1719.827717 1300.641037 1993.321402 1696.729715 1219.719428 1272.641565 1210.318054 1015.446789 1087.890968 978.7180082 1314.110453 1445.352237 1144.018655 1213.797157 1517.227791 1405.772612 1347.371069 1074.301399 1407.169468 1647.846206 1990.882932 1781.701968 1641.725152 1592.088687 1542.192043 1431.146863 1974.994645 1093.960056 938.7352592 1180.982116 1617.277492 Triaziquone 7116.315255 4781.748457 4706.366625 4162.104885 4769.372058 4984.135528 5208.638744 9808.709595 7404.61696 2138.95381 1168.839362 1282.96202 2941.119381 947.8320703 1698.607028 129.6845558 1070.236325 2971.898769 8476.742326 7163.457234 6257.46759 5688.909196 6598.992951 6914.610858 6184.717708 7299.222592 6139.052795 1498.421967 1545.937558 1268.902955 1074.01372 1665.281001 1445.299954 1418.152336 527.4399726 1083.202199 5458.321657 5349.994873 5399.20964 6500.757809 6914.63023 6336.507819 6472.259503 7418.204832 8428.138527 4775.232756 3638.981899 5062.183926 4351.675249 4322.819633 2287.033094 4679.873875 761.7063026 4829.643722 4-Isopropylbenzoic acid 735.8690148 655.7923163 686.8090673 608.111561 588.5790218 710.1974978 563.7876833 433.7995243 453.2045265 737.2631261 578.7489998 530.4689727 590.509007 670.7504968 378.499404 579.8690263 452.9784808 422.6180254 616.3204008 894.9527363 726.4607407 714.1398396 934.6886773 1005.666301 991.7367853 979.5864797 1126.463606 705.7636166 589.2303413 626.110629 542.7457227 491.9519335 552.6259291 680.2575171 238.601199 655.4855907 723.8912081 786.4961516 557.5359039 769.5791468 940.8541402 884.5078816 914.8500289 1007.672544 1064.350997 957.0932219 782.0327091 637.1587175 428.091569 309.7384938 563.1436544 691.6231121 804.6867652 1020.887918 Secogalioside 4.07813e-08 388.2254228 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23544.02844 18699.54562 14809.62537 25108.91925 14766.43517 11279.24167 5887.342633 3872.885437 13839.18693 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13099.65273 19681.38578 38113.37888 6324.28212 18656.21628 34663.3165 10890.81998 6523.170682 11168.16837 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 141.6337596 542.2877573 20463.71399 4.07813e-08 10401.78629 1771.616604 N5-Hexanoylspermidine 6879.558231 6777.242571 9353.703182 4659.192857 4223.105048 5382.190031 15133.95045 25270.37109 12446.024 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 650.965839 1027.060194 1560.27165 66.16395517 1722.638244 6101.892011 1528.850186 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 761.9465212 6735.401561 5907.948569 2690.554371 843.9217794 159.6099564 12327.79296 4.07813e-08 4.07813e-08 1166.775677 757.0458324 6691.633305 3834.800818 4745.62368 4.07813e-08 5997.352664 4.07813e-08 12310.99612 Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) 8758.91388 6157.513421 5419.933468 7413.597063 11104.61774 5739.831044 17653.10735 11145.31168 8085.796518 721.4842977 516.3988952 575.6847767 1262.215622 272.0891693 236.7561608 4.07813e-08 323.9651571 2315.286773 6095.50891 32629.90886 1037.554905 6285.399558 37461.27278 47758.89429 22569.15286 8809.774955 23677.47111 51.59011425 2758.527925 327.1786123 950.4843901 4868.629132 515.3299055 364.9731957 3.400811513 823.8551508 9877.016512 14943.65195 2540.02072 6442.736877 9207.543643 18521.8114 37719.79798 8324.814252 17399.90833 23025.35467 18188.3712 6351.785017 2230.320613 2073.185773 3942.80092 4615.416026 2359.915903 29560.04556 Trigonellinamide 5310.68598 4149.649297 4510.637575 3932.027936 4952.474849 4151.293106 4035.780735 5278.602737 5058.738877 3006.053145 3940.990309 1856.645344 2687.391871 1339.140003 3566.109096 1770.063381 2364.903816 3021.273627 5700.522498 3889.825178 5898.706552 5056.21067 3882.546518 4313.930092 4142.107277 8193.906951 5819.237076 6130.681612 5255.420916 3783.014443 7295.955417 4855.942617 2241.64036 4557.215598 2820.509046 3518.305899 8475.59759 4842.982849 8448.231812 4434.420299 3937.097085 5201.894816 4705.080489 9066.878733 9307.973749 4667.625188 3344.828227 4895.467604 5558.770791 6892.882957 3985.610028 4729.894935 6764.09064 4725.728252 Butenylcarnitine 3833.779022 2604.183767 4072.997322 4295.492577 6156.421368 4636.872197 10660.2716 7195.634484 4337.392587 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22.40991309 4.07813e-08 4.07813e-08 4808.039024 8661.491544 4641.119773 2698.528957 14276.96703 24638.76446 16658.89248 6847.880441 16508.02242 41.4031441 4.07813e-08 4.07813e-08 55.3063158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.78361607 5448.27608 5023.048768 5747.006893 7207.505001 3542.446522 10179.47047 26053.84765 6367.221004 5837.315763 15035.06675 12382.83557 10809.26384 5438.329713 6413.180805 56.42206462 7536.373341 4.07813e-08 16628.32897 Phenylacetylglycine methyl ester 8043.338645 7211.461741 8545.581465 8222.037845 10346.68575 8715.049995 10670.16543 9746.765836 7505.181411 789.9818738 825.022934 653.8951194 626.2742705 248.4271228 856.3659169 333.2515028 452.6362308 319.4383756 15388.39311 19798.2294 9038.471728 13892.05834 19753.35225 20979.03692 16694.40822 20601.29169 21540.87749 177.8526347 607.0612181 1109.983309 507.402912 1221.167453 605.593323 701.8588498 409.1160169 259.816485 9863.418356 13481.35793 9180.806458 15928.41092 15219.5082 17365.95681 18775.16908 19961.09318 19004.42874 18405.42858 12296.33664 13212.22441 10171.27682 11953.83702 818.405753 13531.0792 846.1014739 15464.09587 2-Nitrophenol 2580.427344 2451.682273 2135.965217 2942.821664 2225.914627 2043.438374 2124.216266 2798.564363 2905.816313 1680.505363 1515.537578 1496.546895 1590.867711 1469.567092 1133.281303 2044.92799 1613.375269 1904.822217 1504.850195 2043.973355 1651.710601 1493.945821 1378.256726 1378.850128 1960.668852 1974.772096 1855.196201 1287.407279 1646.902099 2097.256499 1763.51514 1517.677185 1701.870116 1261.057227 1802.784623 2017.760828 1767.048756 1803.80616 1753.658592 1136.5955 1611.220549 1667.641392 1932.416288 1851.121818 2086.192022 1987.570817 1771.615511 1565.105166 1907.366349 1839.648465 1380.233983 2260.266766 1833.240955 2217.810683 Rhamnose 28938.79035 27359.20921 24484.40206 23391.80959 22435.82619 18768.33295 17594.43425 35104.27769 36300.44711 16904.7495 15307.81674 14450.94172 14192.30511 13268.48823 10832.15102 26266.00954 19094.58398 24184.95097 16448.27698 18560.75866 14978.47597 13264.52677 12618.40313 13460.21636 24396.82498 25320.90676 22655.69993 18856.65343 16936.89958 15435.61525 16379.15633 13477.0473 21932.43483 18394.27135 21597.12285 20633.34141 17712.79772 15486.07349 15849.88921 13098.06338 19639.42858 20755.9951 22166.38521 22970.38757 18742.9091 19083.35132 15835.74261 16255.90103 27319.91952 24464.3791 16871.14663 24344.83872 22374.25622 23651.17999 Ethyl 4-pentenoate 3380.328399 3456.676565 3717.109929 3493.307438 3118.036386 2787.380679 3101.560205 3661.330491 3365.092928 2144.487227 2197.241236 1965.380374 1945.887278 2251.627206 1753.36137 2804.452368 2226.977216 2779.737033 2229.083634 2367.653449 2181.65627 2071.78148 2079.50533 2159.442104 2968.578456 2805.036651 2733.698316 1878.232167 2232.988964 2495.581392 2521.637873 2125.644509 2255.620332 1861.864591 2345.163929 2661.185552 2726.145495 2385.396792 2396.600574 2286.739882 2382.295183 2471.509687 2672.792273 2834.480685 2845.285972 2557.124163 2691.014573 2357.327783 2642.199251 2655.179313 2035.119894 2625.501089 2694.95144 3004.679024 3-Isopropylmalic acid 98129.94296 91213.94879 85572.07149 86426.44566 81107.09915 68925.37527 70819.54411 76303.94587 78905.49074 56558.88761 53125.084 52162.64463 51564.99659 52677.59029 43292.65152 67265.47452 50983.05596 59173.90428 60419.8894 60382.09953 54815.79222 52363.59462 50289.91125 52617.17553 60367.90275 70556.92278 65744.4983 47447.39365 59639.90145 57735.20936 58171.31213 50244.05423 53974.03245 48946.26456 60802.56045 64964.85361 68360.42175 54331.00526 56692.05457 49854.49949 46261.01591 55864.14478 63798.23218 72649.77698 65839.79524 63910.68753 61504.78831 56798.58394 63199.41083 61003.12607 48102.2681 67811.48042 69091.9038 76292.7697 (Z)-6-Nonen-1-ol 76377.16384 73352.08251 70475.15804 72397.05643 67789.6683 58307.06416 60007.25102 63495.9188 67817.24656 45266.13041 46040.73282 42762.39275 43149.13219 46134.35802 36722.19617 54857.47487 42094.73449 49851.61434 48822.40088 49444.50359 45846.6382 46348.15576 43094.66824 44640.9608 50514.7375 59301.21316 54082.42022 39899.67383 48400.39782 49550.93552 48421.67598 41946.56115 42408.84203 40881.13453 51316.29506 54093.32061 57663.18068 48781.94619 49517.22088 42459.31347 40742.50144 46581.23642 51211.3976 60112.67751 55206.02974 55426.47013 51132.73461 49274.50335 53209.09145 51697.38985 39490.06457 54656.96238 59034.93454 63831.02301 Succinic acid semialdehyde 2919.713437 2802.512133 3039.887452 2916.67692 2964.80161 2367.924929 2388.88457 2428.85003 2762.881775 1891.87587 1840.206457 1863.38016 1666.442677 1787.328459 1603.223969 2440.936694 1651.548859 2131.219914 1712.768507 1937.214716 1838.268004 1719.903423 1591.865579 1326.401136 2131.742377 2309.86913 1708.575144 1592.197314 2339.962596 1972.02567 2022.605275 1704.133815 2051.129933 2070.930466 2273.070479 2039.320096 2156.533788 1772.326349 1807.834012 1478.72921 1425.701825 2069.966751 2222.169987 2115.751351 2016.595173 2009.227414 1858.402764 1904.713411 2145.225925 2035.127382 1981.052175 2251.372379 2348.820264 2264.604169 Santene 47358.85615 45253.40857 43978.10636 44022.92818 42780.07792 38312.84561 38524.28491 45449.5027 48229.54868 27353.73506 28270.80723 26654.55241 27952.84383 30735.4002 23524.15546 37846.66746 29482.99096 31508.24665 30693.48201 31146.23567 28185.34892 30576.42707 27093.29534 28897.85335 35918.06565 37896.87264 34127.64468 25328.45427 31344.162 32726.82336 31732.9657 27492.15916 31021.04037 26942.13033 32130.85919 33545.74852 35432.69463 30557.27424 31674.29319 27285.04861 29037.4212 31329.25138 31677.46768 36296.94619 34326.39096 35371.10941 34435.66533 31791.58474 36422.73977 36077.27072 24931.22476 33761.40789 36148.39352 40289.93775 Isopentyl pyrophosphate 139.5558137 115.4505132 113.2448548 80.32543344 113.271236 129.0819913 76.45750198 49.43025758 154.6110645 9449.26515 8613.097107 4520.00468 10005.93252 2686.417861 5342.395532 2485.054712 3402.877922 7291.231291 302.7871048 69.97900962 317.7546025 162.1307313 364.2023621 233.4885989 423.0597309 46.56789023 263.796574 6861.703059 5295.116796 10510.21313 1606.587639 8981.811872 3846.042893 6484.520039 748.6918231 7964.200412 27.86705521 44.49965804 191.1398379 88.41097575 38.80525024 37.9371621 268.0347599 203.3355391 255.8627057 88.5936332 79.06719461 26.2681797 226.260498 308.8439142 11008.72216 115.1112779 8571.526299 13.14620889 Laccarin 2294.264237 2376.416769 655.8743873 1357.874264 771.0080427 796.6519276 1953.765139 3267.081297 4209.839585 375.6720591 676.3724122 329.5907375 286.1477249 62.56228889 575.3958475 167.9203893 401.1615298 90.44679004 206.1269363 213.9408393 552.2419503 31.34238186 126.4860333 181.9526534 257.2691003 67.31184956 32.33234492 940.9400721 430.2947736 291.7027764 373.2807216 243.4313785 275.7186537 633.1832828 947.2273281 225.6441543 596.365773 266.8834796 302.5916798 412.5676347 61.18751609 112.1253114 88.91086883 74.05574044 39.63948659 206.6811143 1005.202717 541.1223362 1233.86762 1809.777986 170.1373027 846.4297775 159.4213185 581.2013385 (Z)-5-Oxohex-2-enedioate 32146.65505 31724.91919 30739.63427 30957.17355 30032.81082 26102.17548 26531.9171 27470.05672 26999.02395 20290.44451 19499.01788 18592.50987 19489.81126 20884.93372 15321.53088 24188.44371 17994.53114 21992.41553 19062.11136 20248.25331 18758.88202 19777.50244 17323.70063 18907.47077 21068.17174 24528.51677 21597.14038 17073.12589 20951.80874 24082.14999 21932.27909 18799.6407 20118.06582 17508.75796 22709.89305 23291.80488 24654.42638 19935.03561 20553.31024 17930.09352 17042.19225 18816.99248 21381.56732 23618.51028 22682.6965 23492.81518 21500.75282 20831.69023 22619.28729 21278.86459 17658.42191 22420.36608 26377.57437 26270.23669 Leucyl-Gamma-glutamate 9014.119207 11815.35112 6950.41881 11738.42496 9311.785296 10800.04771 11574.4318 15108.11912 32104.81133 1489.77412 3003.637918 1755.398575 893.082218 1120.266042 1471.924923 1546.425732 1663.387934 1351.125115 4062.673865 4154.971736 7121.132418 2876.89715 1929.682257 1779.922079 4055.572763 5415.3292 5034.118458 667.7833277 1242.792513 1521.141933 1864.498479 1554.424696 1409.927535 1972.150008 1495.994258 1755.039037 4621.86224 5343.871467 7085.971068 3854.025806 3262.766433 2149.314115 1184.153163 4027.488847 3654.675012 2465.378427 8733.535988 8561.382044 8521.929321 14662.25974 1059.204704 7358.420197 1883.980692 5268.42003 4-Methyl-2-phenyl-2-pentenal 3117.39673 2574.220755 3039.945159 2128.389374 2411.757226 2854.751023 2650.871857 2242.008816 1950.501923 1105.170267 1344.58919 959.4196059 977.4182074 825.7377001 805.3794315 316.435262 849.3915949 656.9069174 2953.628295 2955.430679 2834.839701 2830.231786 3341.81451 2688.048875 2616.584155 3951.94527 3267.813277 443.3299093 722.824436 1149.33396 414.242699 1142.52546 1127.966908 697.319309 705.2484967 631.5239417 2328.931854 2849.115433 2440.372048 2288.462244 3298.756665 3135.805931 2770.637035 3904.874974 4351.037431 2490.773289 2115.273717 2214.722551 1925.963653 1735.395621 727.3713376 1903.841001 361.4081169 2200.886507 Indeloxazine 1670.656988 1128.671965 2033.60273 2186.200292 2409.800528 1488.940455 1908.949846 1649.810168 2255.474396 4.07813e-08 4.07813e-08 61.80942538 4.07813e-08 4.07813e-08 4.07813e-08 89.90671212 58.44834173 4.07813e-08 6844.382596 6751.572402 3814.475729 5943.622514 6944.610782 8047.164226 6174.311798 7529.322625 6949.61886 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52.27755214 4.07813e-08 116.8424841 74.75733786 4.07813e-08 4413.136345 5112.342265 2721.32524 6559.940231 6894.115542 6624.654168 7970.790592 7203.088872 9124.005277 4422.097057 3153.845278 3908.428747 2991.606637 1756.415168 4.07813e-08 3531.69129 4.07813e-08 4270.836704 Isonicotinylglycine 4.07813e-08 2545.947404 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 57.89872014 4.07813e-08 4.07813e-08 5643.052093 6488.63005 191.3686005 8406.252071 692.6763932 4.07813e-08 248.5421042 44.4127983 41.2997248 4.07813e-08 4.07813e-08 165.5377913 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.32519277 4.07813e-08 179.7735264 240.7885218 625.8138961 2349.954497 64.04899296 36.04308426 3844.118643 633.6780654 5751.960284 4.07813e-08 71.21463627 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.31211354 4.07813e-08 4.07813e-08 44.10225456 4.07813e-08 4.07813e-08 92.76078844 722.8309971 138.4644131 4.07813e-08 789.2050883 4.07813e-08 Miraxanthin-III 2368.995772 1255.062491 2500.722401 1769.921786 1892.481059 2350.406639 2037.745299 2693.184171 1132.986371 1177.946794 696.7372456 1358.994263 154.4177458 516.0379975 485.5070287 4.07813e-08 96.99348468 479.5820738 8262.140627 6931.793323 5644.824938 5435.01147 7020.607256 5554.768229 4128.776746 9131.024262 7286.268237 469.8179612 892.2096613 504.5899541 807.4262472 899.9095323 341.7429623 363.4409765 4.07813e-08 889.6556805 4533.922025 5631.524138 4128.006698 5694.478599 5769.312081 5978.037925 4541.581374 8496.787168 10219.39145 6566.849722 4667.345372 4813.263592 4137.136795 4063.748903 322.5576057 3944.875289 367.1722853 4275.911426 5-Hydroxyindol-2-carboxylic acid 2412.834136 1918.095384 2392.384499 2291.176607 2664.917769 2057.696795 2057.317524 1664.615365 1704.06744 247.7493848 513.8995254 341.5101496 660.3825119 816.5460175 180.3640339 240.3172886 327.6453878 863.3258557 2476.212009 2563.465303 2389.643946 2519.25326 2632.216874 2793.017931 2208.889435 3258.877478 2047.287463 284.0555075 235.9943696 702.862068 439.2265129 285.723637 435.1796984 297.2869037 397.5419105 569.5622803 2082.243611 2396.031018 2036.610605 1808.158754 2344.789261 2458.040384 2864.827753 2538.821661 2467.378281 2341.787931 1733.727069 2140.97641 1558.033566 1612.283073 442.3155333 1625.691745 190.2154966 2489.22128 (R)-2-Nitro-p-mentha-1,5-diene 2526.827944 1823.324182 1879.757992 1225.772424 2218.76226 2465.954084 2121.217557 2663.866481 2146.133806 584.1287557 584.3150618 591.4400598 456.5371706 365.1417773 583.3848465 4.07813e-08 84.23249356 371.5790051 2976.408599 2650.226724 2857.099518 2585.743658 3248.890083 3068.037195 2690.983121 3757.820959 3556.360029 507.718986 263.4143393 202.7871747 311.5576017 652.0280282 693.574717 182.5116175 240.8120957 307.631537 2374.935289 2579.341705 2337.699659 2604.032043 2883.301304 2885.002366 2814.775692 3700.901187 4253.631974 2975.385056 1854.995947 1805.538838 2134.166512 1926.152465 753.3925335 2239.222925 424.8074368 2070.4882 Monocerin 906.553361 691.8260523 2343.306074 4134.650456 6712.27925 2561.581678 1559.58255 850.879378 85.29339702 8.031603674 72.10197252 249.9440882 67.74789286 336.3642968 13.72996383 60.44369387 3.344598648 166.4548849 4910.370091 2716.850007 3619.152726 4407.459461 3547.601567 1707.963604 3777.350104 2461.306501 2240.088509 174.9981734 57.23359126 116.7265083 43.77840306 286.3449608 203.122915 74.33572523 292.8147356 25.32114031 3670.998157 1934.035011 4127.32005 1753.911802 4786.037093 4501.810775 1771.573623 3119.51278 4250.151295 3969.905499 2029.740603 2283.698787 2571.903671 4061.514063 276.7879462 2283.429179 667.4569794 3659.867815 Phenylacetylglycine dimethylamide 954.1689464 778.7462132 852.4198916 191.7486983 286.2327187 4.07813e-08 149.5612686 231.1859077 241.5164227 4.07813e-08 51.00169353 40.21496745 4.07813e-08 4.07813e-08 48.03838831 4.07813e-08 4.07813e-08 4.07813e-08 1282.081398 1033.971378 2341.334574 1769.890599 1328.816548 1161.00053 726.1189941 1210.29841 993.345293 4.07813e-08 60.03750814 48.7949128 61.96788209 129.252784 4.07813e-08 112.6998868 4.07813e-08 4.07813e-08 1865.307794 1079.661877 1992.347037 753.202938 1235.182286 1924.896809 624.8452847 668.3875519 672.0230253 1330.884998 393.4408296 743.6965076 1272.297839 2265.510486 45.80450465 1662.732268 61.84823715 658.9249181 HYDRASTININE 4923.497248 5377.973844 5820.765694 5745.592554 6275.506117 4547.949342 4323.61107 4203.965783 4129.983735 4778.384996 4829.342594 3842.247542 4360.438517 3642.556096 3386.291952 2841.739665 3769.245418 4187.733473 6838.20804 6403.585758 6129.217739 5767.794027 5591.326703 5955.587079 6178.528561 9510.609282 6061.150956 5563.667663 4648.274127 5170.787495 4843.223877 5527.191104 5430.455917 4902.016025 3905.307861 3396.269785 8271.229449 6230.522088 7418.440823 4790.987253 5530.220165 7001.230987 5105.819751 9304.723314 8204.48373 5283.753825 3910.78335 5522.510511 5637.792484 6886.991665 6202.758252 6170.966138 5967.696965 4138.674197 Todatriol glucoside 841.7010472 1109.963925 548.934874 1166.7829 1510.446826 227.0568457 1173.821162 215.6911071 4.07813e-08 32536.05767 24169.19924 320.7758067 34654.8975 649.7336873 7641.247283 2692.554349 950.9476068 4060.674254 1381.180694 312.5184884 216.1528168 214.7481695 829.7068095 1408.157804 587.1562642 4.07813e-08 4.07813e-08 4.07813e-08 11010.19988 3990.838736 4409.907199 4.07813e-08 1633.797932 56480.55136 1042.363679 16767.52528 6517.389917 1218.109089 997.7845876 1848.325732 4.07813e-08 279.2524795 2246.775815 4.07813e-08 4.07813e-08 4.07813e-08 294.5641063 29.42797819 1030.644354 1561.362991 2756.630403 604.91362 23487.03114 4.07813e-08 N-Methyltyramine 1493.219674 1230.609241 1972.831642 2120.746563 1808.294852 1438.771521 958.9224735 1146.924247 879.5825434 401.8703058 450.3990662 197.9532426 458.52602 277.4738606 142.3666073 260.4455781 137.7068605 157.7386616 1799.606496 1675.404252 1805.79638 1434.921045 994.0792205 567.3426818 1344.607624 1972.909365 1549.241135 220.789124 221.3572169 285.7088697 148.076815 246.0457096 410.8282223 294.4164024 133.2793153 217.9648178 1356.936369 1678.324462 1786.289542 1793.68314 1394.805748 1477.836575 332.8769309 1864.071781 1859.110481 1330.357631 963.3965232 1563.105795 1393.907002 1469.177525 389.5807378 1747.839848 263.8715385 696.606309 Casimiroin 3126.029478 2954.570453 4539.823591 3302.868971 2321.317941 1836.79725 1421.247325 1708.02417 3886.419233 81.39753291 128.4734049 94.09844291 181.1276711 74.3255644 284.2396767 4.07813e-08 314.5947156 85.36249992 9593.004084 2613.770557 6089.579343 5376.26052 2149.817463 133.9114545 1563.504744 4828.712414 446.7461402 269.5791925 220.6015623 77.29644174 304.4738236 220.4571109 413.3227849 331.1910054 148.2230115 226.7909446 2998.552496 4978.107307 7016.760528 2009.498633 3484.80235 3003.970955 350.6552992 3996.408085 7609.688721 593.7499496 602.1795528 1203.463349 2770.432388 2124.961278 402.621717 4495.968599 422.9091643 692.5908851 2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate (DAHP) 11732.69044 7135.529693 13930.20377 12496.87455 16778.83511 13425.12119 17573.52553 12364.97175 10227.65671 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65.09481115 4.07813e-08 4.07813e-08 17691.73149 30205.25757 6115.277067 19836.74452 32581.11124 32936.62067 28193.79736 27509.33364 33541.64776 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14782.6975 18272.39659 6183.405982 17519.86967 24154.11443 27979.90962 31755.72165 25785.98445 27787.01021 25689.01395 22116.4728 16145.90932 10480.14841 6510.346107 4.07813e-08 13879.46212 4.07813e-08 24018.09981 4-Hydroxy-2,6-dimethylaniline 6675.66321 7297.106769 3901.456301 7612.304135 4124.462937 3211.466008 4853.184246 6165.801949 5485.225984 4358.680407 2837.858509 4479.128336 4134.247803 3984.60754 3707.912918 2550.070501 3782.78783 4536.346948 1657.085969 1980.503371 3882.932303 2249.1863 2383.638524 1389.144524 3575.446694 2439.237399 2133.774838 3547.262828 4599.61301 2385.666238 4936.605316 2836.05304 2535.755523 4380.70548 2973.74206 3686.245323 5098.317512 2452.669281 3445.836147 2719.478323 1641.685186 1842.292476 1530.150807 2311.597543 1324.704137 1836.093785 2722.111841 3065.995394 4656.763629 7613.794348 3069.584057 2534.430765 4632.474237 2802.405816 2-Deoxystreptidine 5450.086392 5475.628269 6755.231751 8998.973564 11138.36835 5656.11507 6615.03931 4891.121144 3697.838727 2677.52057 3374.203793 4476.301899 2331.638941 3974.358934 2666.111574 4028.140242 1985.797008 1985.608637 5885.087154 7277.096171 6354.495476 5068.598894 9183.383241 5887.616243 6808.434826 6507.490078 6351.507631 2755.586646 2075.509613 5277.066413 2326.637658 5894.032758 5733.990796 2577.628459 1802.813016 2719.748703 4044.449393 4921.020644 5200.482263 5294.135947 3922.465423 11091.982 5320.507504 6150.168938 4221.611447 6967.427634 9765.257879 6733.174994 7719.622254 6389.561788 3496.916918 9130.150996 3212.048326 10781.72495 Sinapyl alcohol 7431.991306 4967.952306 5450.342254 4986.863856 7867.425484 5257.721566 9193.251472 8218.671605 5595.321954 139.1020146 483.8093721 776.6431508 313.189584 384.1671246 165.4405995 360.3496069 407.0394203 713.2137222 7029.814871 11873.28866 3845.933335 4791.478924 14250.47838 18495.38881 14221.17661 7809.99727 12598.86279 81.82598366 175.3201676 438.1202949 714.2866734 567.6870743 251.0101412 470.8058964 358.3530411 411.7319456 6621.70962 7583.086905 3482.77065 5165.722132 6633.338862 8997.003954 19034.46031 6575.164911 9016.894468 13839.27031 12197.70694 5635.884951 4458.545542 3257.422879 303.7057135 6382.878526 686.2094861 11189.40937 2-{[hydroxy(1-oxo-1H-isochromen-3-yl)methylidene]amino}acetic acid 6669.857932 5782.241443 9923.558725 11693.84095 16440.18024 8800.529041 6295.311988 6123.72395 6042.67681 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8836.470581 11306.48462 13412.92875 10576.26716 11587.80643 9242.454244 10953.16291 9593.989561 9590.883602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4191.484678 7879.82302 6166.578083 10752.70647 9158.679954 10521.9555 9762.247914 9842.855002 11092.3842 6975.786274 5912.78105 6415.343728 4310.117328 4343.21961 4.07813e-08 5585.889859 4.07813e-08 7960.257396 8-hydroxy Guanosine 55.04447263 33.90192375 6.499907317 1.79957077 13.41639672 6.312806792 4.07813e-08 0.857653189 4.07813e-08 3721.81357 10636.07434 13538.57602 213.6740367 17215.15495 5964.623244 9892.660809 3877.906397 17.41312224 55.57017926 28.08697569 11.0775504 106.0270418 162.4559653 22.66098172 13.1329711 18.13913747 316.5685145 6860.03142 4865.072504 7317.909561 103.7243293 2290.433214 2122.465943 5678.759127 8911.914665 11434.75569 45.08262353 14.31415553 36.46849644 21.32810358 65.07383854 116.079907 67.55309045 23.70567084 441.732764 100.8725371 91.61547652 2.078373097 94.45878511 3.866661498 7812.779067 10.43367128 9656.48302 15.43486999 Asteltoxin 4.07813e-08 4.07813e-08 39.7500119 627.6311936 3.007486751 235.899227 4.07813e-08 859.473283 178.6165438 22010.70704 32542.21791 71192.48585 26525.0423 19380.98776 3601.22106 39.95292194 186.1494858 472.2988623 1277.672412 474.8957893 405.0587319 351.2045674 667.1981474 780.9123475 4.07813e-08 311.1444576 544.2135777 27673.13491 1464.660892 250.3128298 655.7041594 614.2442123 13137.3522 175.996112 280.608293 1819.944662 12.06226452 930.9779949 906.0696419 1275.902636 878.7348623 911.2101349 877.6260487 2228.262956 0.603003758 1089.872926 2225.226254 875.7689065 37.21978656 1403.589551 5889.155613 1536.86732 81486.31909 1042.377419 Oxabetrinil 1003.427419 1101.740031 2103.197549 2255.707397 3202.43322 862.4568283 1003.613833 710.5040657 725.160378 2209.593647 2399.292356 3341.207135 2342.652344 3256.035557 2608.992401 2609.734552 4703.880786 1801.199904 1181.73834 1037.238275 1239.325298 1505.332926 1811.154433 950.9708548 1349.365584 1252.979517 910.0145911 1742.667825 2805.727943 4141.561704 2746.564402 4948.093237 6577.835095 5208.269001 2879.579845 4259.793429 1416.87158 948.3219536 882.7717999 1573.393974 1261.146184 2523.906904 711.7420378 1319.506114 1030.093417 1265.933462 905.256828 1847.445069 2024.008604 2301.52679 6136.666935 2208.219209 4949.74996 2817.659385 Ac-Ser-Asp-Lys-Pro-OH 67.29167581 2989.935127 43.67491562 126.9658194 1672.680155 1365.174616 797.3866784 550.4675682 2613.659767 12609.05489 9168.859032 8660.26611 11262.31142 4991.2067 8856.595472 5875.347058 7787.985801 8681.173555 0.217296596 34.27975084 60.36786935 163.8953181 164.1873579 4.07813e-08 225.4590736 284.7333661 46.55181112 9997.519953 6921.132468 7386.950417 6564.438694 8618.95332 6703.535964 10578.04079 5243.676945 6752.002606 325.2537076 21.45530542 680.5317063 267.1152821 440.7347682 0.554132155 549.4148008 7.59315879 55.94591633 202.8369518 520.8469013 246.3331219 983.6457717 736.3574412 13016.29333 82.01493687 8066.854844 1734.105336 3-Methyl-3-butenyl apiosyl-(1->6)-glucoside 1233.629606 3526.509729 1638.22725 1991.700064 1720.109801 1782.440139 1114.62562 1137.440841 3131.741624 23386.48946 27876.92478 25548.51293 16838.89083 14736.17838 28359.50686 29497.71709 4662.073229 15404.40205 5793.983328 2752.758809 1858.066738 2295.026438 4135.573457 3286.668038 1988.679192 3524.861255 2038.861144 13091.27358 29923.99328 13219.93635 30139.9274 17048.2092 24014.66043 38535.32162 8475.95118 15836.06998 2046.112131 2503.478574 1548.015898 2227.841897 2248.568558 3196.237218 1736.990153 1488.129335 5636.384614 3696.174169 1773.293372 1399.222337 1734.472391 3223.654223 17762.97389 3096.092393 5453.786586 3276.334418 Leiokinine A 2958.437762 1811.202087 2846.187302 2565.671917 2669.528032 2661.497481 2229.739556 1705.853341 1806.273692 938.7156667 690.1112129 635.6094531 946.0250028 939.0838419 554.2924049 680.8302908 604.7535325 831.5814057 3922.853538 3297.276589 3063.306406 3616.162216 3606.234763 3683.933262 3571.355777 4660.728547 3978.499325 692.8666671 718.1977104 625.4816828 854.0225693 1001.677869 895.7752279 456.4421557 409.5394918 567.7874145 2880.332273 3027.767015 2624.34066 3033.816724 3747.756154 3222.841803 3405.367592 3609.691013 5239.838951 2634.347629 1990.213818 2475.259769 2328.62227 1954.880073 809.7163463 2114.37271 887.8345809 3303.271206 5-nonenoylglycine 5745.287794 4776.498494 3616.877978 4319.671005 3888.884631 4005.05652 6600.05602 4420.808395 6086.247361 1168.158742 2423.807816 2564.718281 827.2362478 1289.303288 2642.840184 2301.380961 4653.177459 1724.296056 3929.525547 4193.967067 3889.603615 4035.336125 5066.353409 5634.216702 3891.826663 4846.910527 4304.332373 1308.105979 1305.924992 841.3091011 2732.130647 1205.506545 2211.350149 1850.390461 2235.006888 849.3786015 4078.640347 4573.047685 5689.355187 4889.179077 5037.27214 3817.177584 4715.942026 4339.622855 4579.317091 4013.82201 3842.767908 3799.515151 4545.200034 4701.653678 700.6389736 2771.587281 2306.857377 4761.946586 4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone 2796.264616 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 655.0664249 3069.488376 13096.71356 4498.700006 4.07813e-08 181.1798987 4.07813e-08 832.1062772 193.338381 4.07813e-08 145.527615 593.2196612 238.1107539 4784.676465 2995.099897 7863.159992 6403.570945 2714.35522 548.7186 4884.790949 4377.288653 5972.731599 538.6352583 4.07813e-08 557.6194128 570.170386 11.13534012 4.07813e-08 182.6160132 128.7691383 4.07813e-08 4607.268695 5701.338684 6154.977003 4842.898085 5548.415479 3326.636487 483.8005545 4637.36047 7919.21367 1018.678134 29.01824298 2788.231057 1202.90825 1992.994826 298.3591642 2927.668982 265.8295508 3279.953231 L,L-Cyclo(leucylprolyl) 15751.2233 11851.38739 11186.09294 6806.147997 9365.550899 10572.72273 10004.14412 16550.11692 13715.64662 6231.383363 5267.219092 2983.408686 5934.081684 2221.26044 3279.731397 698.1511666 2285.89424 6333.288121 15533.57465 13474.47119 12912.55987 13533.77098 13770.68944 12645.94819 13513.96227 18597.95885 17560.96113 3854.909926 3964.812578 2629.329372 3773.032388 4558.010999 4315.991024 5469.093641 3108.495758 1935.828692 10602.86207 13055.29627 12949.74233 13111.35035 13878.76208 13015.88338 12572.09434 18135.17378 18955.96569 10622.04639 8020.519368 9997.569434 9336.030383 10557.24458 4746.862635 9549.471851 3483.21685 9597.731098 Iprovalicarb 745.0171788 808.6925225 1112.09307 1338.052018 955.6540871 731.5523884 4.07813e-08 1939.14507 879.2582124 657.3927227 1040.239923 455.4318419 924.5410544 896.691717 484.9284887 373.6753682 1191.497393 617.4480954 1644.497424 992.5732217 1732.464049 1073.927684 665.8171828 225.7755654 855.6819012 1131.013916 304.6246282 315.1823408 646.9043528 1249.620701 1251.243308 1607.043425 704.7356305 709.5629323 282.7893544 760.6585012 1772.503496 1407.418093 1123.468156 868.7690268 694.6384805 1461.654326 172.0498227 958.5263986 2025.859258 245.1082025 583.9712085 274.4718711 278.6874389 1100.988118 1209.177956 429.445821 609.9097201 804.8533733 Plastoquinol-1 752.8766893 638.6151622 619.6693557 537.9967603 1071.541712 1007.29968 798.6430592 379.5204354 205.2714499 4932.795425 6693.119554 2853.820404 4237.791253 3009.734024 2793.397358 8171.393977 7403.351819 3417.036966 527.7190213 611.2452404 1054.241037 955.2931267 357.9760929 709.341711 641.2726783 443.7049374 214.9881533 7089.012573 3509.595474 5703.68784 2951.372045 7686.51265 5359.994226 4626.093684 5003.445597 2752.309867 490.4971283 524.70664 393.2852127 821.7543546 1025.118754 509.6466517 497.3594871 377.3975892 302.7440263 412.1639463 365.8591456 758.6983516 729.1531396 549.0653128 4620.70222 460.2854424 4966.333761 853.2052003 Hydroxytanshinone 5245.469377 2368.99941 1858.11731 5789.310312 5466.40982 4084.986527 2679.483234 2035.13741 1388.587942 647.7710414 1904.373321 2625.513268 533.6966982 2702.547703 1255.918543 5171.35177 3663.338535 301.5836571 6721.044858 8153.38691 4371.050298 5030.43053 7109.977272 7769.30443 6803.655471 5729.73053 7250.796214 1355.038692 2161.714 2549.841701 2080.541687 1307.920709 2025.259369 2858.247058 1652.896547 2426.27513 5173.765906 4425.852181 3546.495504 4037.71518 5124.742065 6579.603147 6661.283117 8966.964303 9336.207809 13185.99673 12185.45662 5626.544286 5566.986834 4744.162446 2834.06426 3855.112042 4000.673613 7720.612917 fluorobenzoylpropionic acid 2453.077551 1014.975239 2042.8122 1840.25266 1735.562381 8607.422626 6228.387899 1973.732556 4300.147339 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 158.3099821 4.07813e-08 544.263263 2298.338746 3117.886532 2699.730115 7554.04968 5222.75102 6882.201235 3288.801724 6585.598852 4638.454707 4.07813e-08 71.70062016 620.0539006 302.4382862 560.8393524 4.07813e-08 4.07813e-08 4.07813e-08 465.208226 8993.219022 3670.663042 3874.224821 4775.146651 6381.414069 3470.607478 6034.527476 4268.563113 2017.63004 4083.186963 2388.721872 4920.947882 5316.561701 2598.651748 3888.624513 2463.795447 2087.340436 5221.496416 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone 0.008424024 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.870537127 4.07813e-08 4.07813e-08 4.066182647 4.07813e-08 14033.39002 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11556.48155 33532.23816 54.67278584 1.336095749 0.82425827 120.797203 77.82059808 0.264643108 4.07813e-08 4.07813e-08 0.001623418 94.2936589 22923.30014 4.07813e-08 8141.130661 4.07813e-08 35632.11329 26244.45912 4.07813e-08 28321.76648 4.07813e-08 2.557547515 8.513432965 4.07813e-08 0.371233354 4.07813e-08 4.07813e-08 3.037991925 4.913442534 4.160717078 31.77009442 52.03071086 1.639879808 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 767.7434572 1.950277367 Pentasine 4.07813e-08 1959.991213 4.07813e-08 371.9501261 336.5022144 167.7838823 4.07813e-08 1167.537156 3046.966124 48206.22339 74676.98991 37965.05016 45077.49586 17511.8021 93926.26797 78229.84334 28958.20926 40069.08047 1615.567513 4.07813e-08 165.5794032 1814.500667 668.0244961 730.8188512 1227.256833 320.4428169 698.0297189 11984.33554 64452.72494 20534.04854 68999.13808 23238.79343 56275.52954 95658.6332 26684.67925 35642.15469 4.07813e-08 4.07813e-08 735.1802544 566.9914643 1096.937288 4.07813e-08 4.07813e-08 1639.983425 1640.787339 939.5896987 1152.064644 4.07813e-08 491.4539698 272.8455833 26643.82702 431.3165842 14711.61571 788.8489277 Ureidosuccinic acid 19391.38459 18899.08632 11465.29495 15872.9335 14078.03383 6421.964732 11617.9874 15438.63067 6938.380225 3990.614937 4390.07962 2916.585172 5084.226711 3607.031394 5351.192792 2787.619701 3485.176648 2278.509855 16333.195 6747.939569 8429.978702 19029.13868 12205.31714 623.565673 16888.1214 15739.2479 3838.45622 2927.134357 2901.599866 3749.995109 3440.071811 3984.323937 3548.207082 3783.742785 2864.414788 1973.442974 29303.71786 8272.531247 13873.62974 3022.198022 17080.55419 25457.80916 859.6428579 12521.78028 22506.22602 430.139611 1581.751515 6685.301264 21192.04128 14367.92955 3566.253449 7053.33667 1914.691923 8027.171073 L-Kynurenine 412.3459538 1463.001652 274.6251367 200.7743819 268.462839 163.4266588 619.3575721 738.8771859 462.4119301 4069.143568 3078.246963 2915.853934 3987.956559 2198.200314 2531.960946 1549.608929 2865.262929 3955.725028 301.5706309 110.3612445 1013.109287 278.4590115 80.07866975 183.9020196 324.5066688 87.54946334 132.7519184 2213.425132 2906.878858 2824.713109 2193.028301 3541.51721 2975.515133 3561.851855 1497.733193 2002.444463 2786.079132 94.8252631 428.143687 174.6254894 69.92149437 258.6536435 259.5132474 649.4876405 473.8941742 75.61839818 187.3272031 300.5228678 782.9070068 1406.44616 3564.01433 428.3028852 2809.082632 510.1993093 PA(15:1(9Z)/0:0) 1275.312531 2075.525901 1282.292277 1959.904476 1074.042322 1125.848736 2736.365128 1006.927053 1784.926992 4.07813e-08 654.9118273 618.1445366 426.4617403 4.07813e-08 401.4180098 4.07813e-08 226.0549724 4.07813e-08 4.07813e-08 770.3031176 176.7409472 10644.77402 4.07813e-08 4.07813e-08 577.3672631 447.8862328 366.0804465 516.3395694 4.07813e-08 4.07813e-08 4.07813e-08 398.2558057 4.07813e-08 112.834845 17.78150331 4.07813e-08 17639.11904 435.2016293 654.2137444 171.6294351 4.07813e-08 4.07813e-08 113.9021522 4.07813e-08 453.3041792 4.07813e-08 542.3520799 113.5140556 1146.718537 1236.186971 4.07813e-08 2204.91375 351.3182475 345.8658684 4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one 28445.856 17036.70227 20655.98909 21734.35922 24671.18179 21607.10215 16484.71769 13062.95353 15533.54493 6546.224742 6042.436583 5969.864374 6022.733488 6116.620543 5649.852794 9328.167475 6886.293574 8535.096729 28713.03432 19678.17823 18135.20742 17830.50851 17027.30368 20989.11131 16903.7674 12953.87043 15674.98536 5419.58709 6275.709979 7391.05881 7001.53217 6267.434928 7214.399787 6783.942877 7980.687541 8279.655157 18344.17491 15105.97599 17770.31733 14492.2527 16479.37819 18457.56906 24733.24735 13003.3492 13765.72806 28114.13217 18799.7006 18184.13248 15514.75238 19544.37847 6294.434394 22772.68263 8664.438241 14470.73754 1-hydroxy-5-(4-methoxyphenyl)-2-methylpentan-3-one 2592.463682 1101.209038 1702.662054 1131.584833 2440.448762 1955.730783 2433.085886 2002.224486 1112.209474 403.2967174 4.07813e-08 250.5113239 4.07813e-08 104.3883806 115.0305096 4.07813e-08 4.07813e-08 72.26838757 4365.467311 3223.53398 2561.983988 2820.572738 3062.19954 2602.587055 3250.69503 3524.312545 3850.092757 92.88516041 159.2547984 237.6546337 125.2198071 60.31542576 126.7215559 4.07813e-08 168.861991 68.80062871 2235.429567 2334.74855 2748.578794 2895.208837 2555.940127 3326.761144 3016.218161 4030.305549 3028.281146 2355.925464 1457.025633 2574.173195 2001.557762 799.8914587 4.07813e-08 2488.397884 204.5049768 3135.529646 Zanthodioline 10337.39744 13970.13216 8549.324158 12054.48124 12104.44445 11393.03553 11853.62625 11247.27214 15766.04026 829.9731008 634.7988476 953.4052299 1612.193882 1069.164268 184.3372277 217.6641145 94.28301873 577.7360712 9964.584299 10963.18607 9693.56903 13675.46011 12479.04869 11651.28866 7746.786379 8562.931524 11006.60412 206.6842621 1028.9341 706.838233 561.3636254 1222.258908 1146.509712 818.4502105 450.524779 397.6111451 8861.711859 9061.684088 8190.883462 10259.96916 12975.11964 10449.33495 10401.29551 8474.850672 9912.910508 13575.90643 6028.389429 8758.766511 10685.26587 10064.74603 1526.062096 9205.031982 643.2849655 10314.36655 OHODA-PG 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1369.705648 4.07813e-08 12688.54368 11742.21064 15306.10716 10887.68319 21793.53332 11160.88628 11613.9813 11459.7441 24156.00779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8746.776435 12981.28682 17232.71016 11398.44753 23570.99621 16780.63667 8139.959562 14222.33855 13015.76529 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 337.6770896 4.07813e-08 54.4153455 1559.75038 19779.2254 4.07813e-08 4081.170379 4.07813e-08 4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid 2684.84895 5924.601341 2858.434873 5941.104748 2529.084069 1155.663495 2493.827355 2409.56939 649.459565 7157.144737 7351.880993 9607.438013 8008.805992 7153.520295 4525.225484 5939.9750540000005 4465.129538 6085.081616 1810.95504 2107.69197 1466.524455 1573.803205 2305.327438 2450.970977 2201.441092 1488.750297 1452.911006 5115.634749 6184.323094 8326.612889 5555.594512 7536.833404 8764.018415 7732.076337 4724.784667 5792.94744 7644.090563 1659.077128 1952.653311 1306.299292 908.7215598 2779.04101 2259.376127 1412.632378 1322.74421 2675.337136 1790.690039 2055.673789 2023.977281 2664.522573 8163.583002 1394.552616 7691.95992 2151.518941 Neostigmine 2429.151026 4085.841036 2082.778307 2480.092127 2834.165585 2128.555196 3793.944296 1865.763279 1096.103019 10058.89824 8623.739161 11667.1447 9922.459838 9690.821076 6142.644601 8962.21239 7150.104535 7760.567945 4795.782739 4108.211082 4781.407747 4582.381415 4278.808315 4803.34656 4231.396709 6192.260502 4520.704866 8208.223326 8898.017628 12554.65204 7615.693023 10336.72392 11618.40792 9634.349985 8055.336333 8771.492025 5862.388046 2741.48738 3050.648738 3518.067023 4857.944575 4691.527361 3985.692975 4913.070605 4902.169825 3191.348607 2637.217434 2668.1447 2957.552047 4077.106652 9972.803627 3554.175637 9184.710011 4049.879775 4-Hydroxycinnamoylagmatine 5684.988662 7216.179161 10491.89399 14091.17616 15185.23819 9699.074912 2829.666319 6587.172442 6645.238922 4.07813e-08 4.07813e-08 66.77802645 160.9617227 4.07813e-08 4.07813e-08 4.07813e-08 121.4539478 9.769035192 12711.15887 12298.0277 8503.187659 11770.1763 3097.170321 9794.172548 4613.390101 15317.41505 10058.34001 4.07813e-08 211.0721907 301.0926185 0.928281057 4.07813e-08 4.07813e-08 4.07813e-08 1.461698767 5.298866719 5258.77683 8850.03107 7321.7269 5647.606413 9095.848195 7967.359365 8551.191961 12777.02809 11076.51776 6710.238379 8313.941925 7235.688167 4142.807338 3968.513776 481.3529916 6218.221649 4.07813e-08 7640.214243 O-Acetylcypholophine 100739.3497 113695.3956 72896.24617 117704.9087 87879.01374 105464.534 109289.109 155204.8535 169860.7537 17745.30509 24684.27001 17436.76393 15348.6013 11134.40636 23111.29377 20810.20438 26091.74267 13570.54688 33952.58228 29037.60932 67895.87255 41774.47167 38962.77988 39561.43653 44195.40368 41023.48112 52481.46452 16964.51103 21780.22632 15134.12841 28310.40838 21702.7977 22974.08256 24978.24743 36660.96797 14769.68324 51796.24676 51489.24638 74658.87335 61323.80409 38837.92748 37909.32971 34070.18335 31781.93835 50089.57845 31152.41826 63903.48151 62382.30758 88336.34803 134198.2509 11055.98452 52580.4357 22881.74496 35000.30598 b-D-Glucopyranosiduronic acid, 6-(3-hydroxybutyl)-2-naphthalenyl 186.2328378 727.9788913 4.07813e-08 160.4918405 4.07813e-08 4.07813e-08 239.3014572 189.1960254 4.07813e-08 2042.507984 6082.146696 2393.973381 1209.589597 3408.498802 2450.551958 3805.523987 7953.162533 140.2395067 4.07813e-08 4.07813e-08 178.8132949 304.4001302 4.07813e-08 211.3304446 4.07813e-08 301.0376998 270.9476448 9329.235758 1364.820717 14490.98051 3561.685222 12923.24487 11287.87144 5231.607199 7538.475619 2759.295699 338.1849611 4.07813e-08 4.07813e-08 0.068694546 310.5043094 280.9989407 141.2836041 63.51511004 81.81614419 169.111095 190.4814127 4.07813e-08 4.07813e-08 423.9049735 9548.280184 215.9424408 16476.67284 575.3120512 Gallopamil 2047.333718 3626.778905 1811.754449 4902.123901 1109.68751 4566.511955 2940.471838 9024.187542 7101.06462 1844.806082 2340.494545 2107.203606 1020.339046 1526.326249 3976.941247 2281.151812 11722.97559 5087.785713 442.0549904 894.2171678 2815.446453 4.07813e-08 561.7298978 283.6934155 4.07813e-08 65.79281859 1592.043931 2385.141779 3120.01248 9830.611608 10094.51414 8417.714905 5539.378578 7196.698312 6084.39598 4696.202625 80.0040825 654.3812611 2457.560738 783.6185377 906.4874348 552.1198374 387.4353483 628.2857899 497.4721727 4.07813e-08 465.1400169 1555.088554 2475.933939 7015.678769 440.4801729 1233.182339 808.7469505 381.050212 Dimebolin 4041.7389 3729.350103 2312.599016 1251.412369 1661.223377 2007.696154 4790.068178 2689.842994 4373.373642 6055.017362 4773.169506 1545.791923 5985.797047 1334.834158 3663.62235 3307.590753 3445.1209 4045.787185 3460.380963 5446.748942 2473.262985 3750.38721 4063.226925 3233.188029 4579.737003 2557.876726 2338.087195 2729.986607 2611.468345 3076.152567 3397.104212 6604.296868 1418.029752 2653.698634 593.5124022 1857.219013 3996.760124 6929.017122 2819.96794 2577.952368 4760.642416 3216.962756 2322.933819 2197.91873 9782.491689 1929.251735 3142.161729 3443.175717 3221.170402 2223.557932 7262.234381 2910.144868 6266.58852 2317.110371 Menthyl lactate 2672.730551 2119.269445 2943.007969 2806.62233 3221.371792 2924.878287 3161.974104 573.5933835 2667.289807 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47.45213567 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5013.889101 4229.979579 3942.504052 5312.569582 5381.710509 5476.416414 4043.735213 1934.784812 3091.508351 4.07813e-08 4.07813e-08 4.07813e-08 244.077861 4.07813e-08 4.07813e-08 151.6810063 4.07813e-08 4.07813e-08 3156.655415 3586.617225 3544.439225 3087.563319 5339.999837 4769.864458 4683.933418 2801.81815 2597.849629 5406.186964 2359.715191 3279.568175 2845.505757 2161.937119 4.07813e-08 4358.772521 4.07813e-08 1014.077288 Fluprostenol-d4 701.6424524 413.7212605 862.5206772 646.6492118 372.4804403 605.9083955 1294.562428 748.6284516 450.8253724 1488.743898 2227.792344 344.8155902 3881.523546 1095.859874 2199.013368 4.07813e-08 1423.012885 910.6413374 3062.856671 1435.104829 2414.257077 2126.570909 2006.267397 2261.829521 1896.245094 2091.826201 1134.710548 597.6419278 603.9352914 1369.191787 661.9763172 1237.16303 1268.994181 1601.686754 331.9149771 215.2967034 1392.415664 1571.196117 1820.060862 1947.205208 1761.982712 3696.871353 1691.801016 1175.807492 579.6132611 1927.50856 1260.03125 2382.829504 1242.833976 6509.331703 1947.994219 1807.534346 8593.511622 1563.722025 L-Glutamic acid dibutyl ester 5295.149359 3354.964667 4766.388129 4149.756311 4222.880214 2806.512735 3509.651604 3363.33604 2679.46549 1795.378974 1762.344549 1627.133239 1666.780014 1724.283777 1488.584939 2568.930073 1313.516149 1929.843871 3247.563699 3370.495175 4005.070569 3041.360382 2265.537224 1955.836335 3687.476732 2699.363242 3645.681071 1324.751689 1543.237935 1554.112572 2196.128933 1178.708052 1980.48615 1297.777651 2132.216159 2205.866124 2803.710062 3183.632926 3280.211674 2288.511087 2666.133162 3983.872468 2096.769843 2636.886241 2909.845923 4527.919835 3453.681322 4251.435616 3098.765729 2053.078546 1606.338556 3544.893071 1831.641882 2292.690259 Dienestrol 10699.2498 5510.540066 8262.155398 7474.283471 10852.1612 10101.37563 9504.24733 10434.20228 8675.004773 159.921964 481.1158783 630.6237012 420.4207742 934.6711801 477.158589 375.1802592 271.9468143 447.8381994 16087.26056 16304.75019 10367.64789 13697.85798 16106.29318 15516.78577 15753.15143 17501.95846 17085.08292 638.5739358 337.0429448 1432.211175 366.5110832 1348.685724 1960.83282 386.5144981 630.1600695 1067.953254 9602.773061 12465.37955 9576.997776 12925.3718 15268.21222 15806.29002 13703.15641 15628.31781 20929.85769 13434.11699 11152.80997 10547.01913 7924.027348 6293.710043 501.799607 9256.339029 1208.241771 11578.08634 Laricitrin 3-rutinoside-7-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31379.43813 26311.92927 4.07813e-08 31998.8267 4.07813e-08 24424.76209 4.07813e-08 29223.9017 35791.67803 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43149.5874 30607.63959 4.07813e-08 32100.49638 34751.15142 14595.41953 36254.22647 4554.988508 1501.137635 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37190.86647 4.07813e-08 48148.24033 4.07813e-08 2,4-Nonadienal 5694.043993 3952.079518 6470.441848 4920.184555 8106.59949 10691.65286 18478.13612 4695.159899 11189.40358 2316.713645 2354.982659 2209.723538 2022.895882 2276.128619 2190.256949 2550.330843 2355.571135 2242.061561 3135.665252 3269.197609 3339.233999 5017.421717 4023.979504 3653.729766 3598.76375 3354.731304 3217.012904 2256.599756 2231.155178 2791.85377 2787.851126 2525.154269 2785.70623 2166.304618 2641.201308 2879.185745 6835.127812 4742.474426 6544.261543 3856.398532 3858.524492 3594.601872 4030.122253 3535.833185 3678.383826 3982.647323 4476.196654 5906.661339 9674.297306 4231.633549 3139.250301 4805.536674 4399.340597 10670.98707 11b-Hydroxyprogesterone 21034.93402 16775.51141 20138.82841 19247.92504 29893.18256 21656.8658 19079.91427 17134.07675 16769.27423 2915.21946 2746.293661 2926.745389 2861.118486 2565.398848 2002.265391 1468.146423 2187.639187 3642.588681 33405.14339 44206.53479 27844.91713 30463.53413 37693.53343 45092.52882 34724.55895 38146.01498 37062.53263 2251.435158 2344.415144 3271.60767 1688.940705 4005.578519 2943.41378 2560.237781 1406.195555 2618.25834 26817.48278 35228.05925 25856.4419 36543.80318 33190.62863 34778.80341 38792.98653 35435.20541 45612.50334 34665.47394 25088.56918 23285.13795 15498.69478 15773.78434 5357.424483 20811.95639 2468.995179 25520.45343 1-Guanidino-1-deoxy-scyllo-inositol 14284.70471 8521.977139 13607.84466 12500.25723 11039.60639 20939.67707 11294.64614 10173.90713 13981.87142 2702.013833 12579.14391 1766.589332 1880.233471 4033.140839 744.5614745 6655.377857 2554.353282 5578.06446 20755.36059 18467.21674 21799.57435 23412.65732 20384.17058 26092.65537 13287.57199 14104.33935 14926.58097 99.41857609 3533.954045 4616.395817 1313.7553 3164.040768 1122.718848 1722.656516 612.8076977 2646.786787 11525.24036 5943.289858 15445.73498 13367.60315 24697.34631 17105.04975 25948.0882 11290.83117 28278.80677 10319.2644 6437.581906 12221.99826 13564.57583 11289.03432 2774.121537 16097.77091 6162.444284 11320.72591 5-(3''-hydroxypropyl)-7-hydroxy-2-(3',4'-methylenedioxyphenyl)benzofuran 10815.42101 4680.340584 9062.640703 11749.15726 14373.09604 10359.92106 9821.105207 8073.698485 4550.894419 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20529.82996 26976.59972 15017.10755 18054.40894 21524.54745 21269.46826 18742.25136 18996.61803 18887.31791 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8161.026604 12766.85369 9865.234665 16639.50634 19834.51615 17715.12293 19002.85019 21113.09595 15734.50571 10230.87204 9694.546263 13388.11444 10609.19997 6064.705026 4.07813e-08 14465.2719 4.07813e-08 17687.69321 (1R,2S,4R,5S)-2,5-Fenchanediol 2-O-b-D-glucoside 6012.278685 6722.688599 8859.532007 10256.19186 10551.62261 7489.819774 15046.04698 946.7516775 4638.125072 689.7808655 1082.728882 1196.691225 932.8615185 1003.817885 1298.739685 487.7479639 868.8947599 1667.398663 14563.8046 14556.02094 15085.93908 18639.39067 26269.71708 15013.99415 20086.12285 4516.376046 6349.289336 1061.722919 1019.781634 1205.696917 560.0037457 992.1989752 931.7765238 1252.033772 720.2652179 1006.297843 6285.09191 16766.65881 12704.61501 10279.54077 18182.5657 24096.0703 13035.67128 4653.41856 9415.804842 14793.64662 9896.433332 17053.9633 6600.142074 6546.812003 1186.93082 13741.85719 932.7870742 3205.093502 Dihydrofukinolide 10574.32363 9625.651821 8679.562884 8291.476243 10032.36701 7962.517155 11795.46098 9114.009691 8911.85439 2902.822482 1892.513784 1112.078956 3421.015153 1829.053343 1312.501682 942.8650779 1812.890141 2360.847203 20605.83437 22921.75896 18456.94288 20947.12432 23285.16698 22588.81258 19129.8224 23412.64292 23737.67329 879.7304149 923.5956019 1817.914504 1236.16175 3551.746695 903.8061105 2390.122204 142.9128925 1052.110545 12839.25347 17056.7779 15830.57687 17961.01358 23825.90281 22994.77282 19900.66742 21083.97924 29752.60537 16666.011 12637.74392 13858.70193 11554.49828 11543.44392 3619.772256 13295.14422 2335.280463 13032.49949 Graveoline 1571.321476 1618.484157 1829.884485 1807.076551 1895.831164 2033.733497 1957.438279 1469.889146 1170.888422 298.9682663 158.5341991 40.8099474 392.6791811 4.07813e-08 137.7890988 4.07813e-08 4.07813e-08 4.07813e-08 706.433261 2170.184326 1397.616322 1413.717518 1160.865725 782.8729358 1558.13048 1461.462648 2031.125422 4.07813e-08 55.25961062 72.30712233 4.07813e-08 4.07813e-08 124.8077704 4.07813e-08 56.1643815 54.76966136 843.4496925 1638.120553 1319.784717 1939.988096 1294.669586 833.6145435 1151.385776 1947.715074 1308.729372 2615.575705 1984.370927 1900.194844 751.952181 1206.904503 54.98598968 994.4858129 4.07813e-08 1018.434186 Octyl phenylacetate 1488.016444 1032.456831 1233.341174 1828.0009 1968.556692 1902.884468 1374.99354 1609.418516 840.743484 257.3625563 298.8727316 248.4758894 331.8208264 368.1250304 373.6709129 321.1884238 381.2224849 268.7329587 1264.51892 1396.42793 1473.549419 2064.428506 1541.110755 1967.072651 1205.933754 1736.173142 1702.747301 323.2378512 318.1299819 538.4436617 244.2523974 456.0771546 557.3230983 139.1283075 295.8915569 638.1523599 1296.523777 1212.85789 1323.175293 721.7790151 2065.676024 1589.466962 2196.300926 1355.209095 1747.117842 1240.805867 1114.750752 1611.445719 1385.683563 773.6424577 321.0409979 940.9209618 770.8712839 2475.121723 CEPHALOTAXINE 3000.998817 1770.107875 4377.991838 3534.00361 2688.552251 3518.634463 3708.98883 3679.47556 2671.077579 1681.862463 1344.776283 1001.873 1052.584903 1381.85701 1384.442543 649.0341661 701.86998 1426.548045 9154.766565 9534.62603 7164.933401 7942.528249 11278.5309 9412.157809 7913.158057 10385.96604 9711.95127 1330.63241 1678.218754 846.7500886 534.1129087 2411.062715 1644.134603 2031.844916 581.9000545 526.8190473 5664.568451 7550.447351 5595.078794 7940.065701 9145.540672 9479.440694 8302.620876 9081.145263 12254.38396 6125.224878 5628.216845 6011.621612 4977.567345 5432.33639 1744.82267 5134.148588 1333.791898 6308.814533 Morphinone 591.2571875 383.9571599 1177.115216 1211.434648 2744.729037 1134.182671 1300.853444 779.6678516 730.8177904 49.24830365 43.03906927 59.81662672 156.9810185 63.11993783 199.4856059 93.25587843 94.47490319 2360.513308 650.9932328 1884.048192 305.223629 2145.180371 5089.655409 3169.853839 2443.445124 1978.651269 3647.45417 4.07813e-08 51.31343873 231.3800503 83.03984093 4.07813e-08 44.8055894 4.07813e-08 152.024047 44.60774808 1472.792147 1207.382355 399.1498655 1552.360841 1133.612192 1978.677872 2201.649333 1277.923496 1918.969781 2364.154369 1507.056161 639.0907503 933.3180762 615.7203239 111.1852085 1202.939762 25.31089451 1431.821725 beta-Funaltrexamine 40077.45067 16222.95516 31356.36277 42014.45597 44586.5158 35352.50231 29143.09958 28327.38867 20148.25059 1660.663713 4.07813e-08 261.4008739 1764.777604 574.0439081 2146.067143 344.0534624 357.0543699 795.810187 39437.88363 35512.50497 23217.17011 23084.43583 26656.39094 22462.84468 19891.47198 32794.9119 27741.47507 1809.954856 855.9513321 1948.671997 1729.523653 1709.547666 2045.453595 2455.48037 4.07813e-08 883.2414839 27170.12404 22338.02965 20766.0872 37027.36533 31840.52364 32242.64448 23388.04455 30619.02743 28076.18501 32328.02963 17610.47093 21433.21174 21416.51034 15297.84621 3082.297579 14618.59438 1222.157342 21559.97646 2-Oxo-2,3-dihydrofuran-5-acetate 1907.31762 2034.674976 1939.709918 1574.326409 1831.403404 1457.514856 1343.538144 1524.474015 1868.577892 973.1355541 852.2306958 463.8125302 853.4851931 609.0490483 677.77588 859.2500084 315.7098218 990.62317 976.0788065 1040.639139 1093.980724 1062.361139 1061.568748 844.0455389 1450.556799 1605.755847 1003.596115 363.1495171 1109.582279 1240.812341 1356.222974 1039.787354 1487.027356 1154.963273 440.1248227 1454.63728 1381.756446 1135.008491 998.8755829 982.4584492 1129.066672 1229.933067 1272.510862 1343.026252 1091.110349 1325.744494 1160.124703 1143.795483 1506.414176 1309.925224 802.2243323 1301.361786 1553.12301 1789.083715 (S,S)-(-)-Hydrobenzoin 4.07813e-08 4.07813e-08 465.1046954 172.1853981 4.07813e-08 631.5421716 1131.637254 4.07813e-08 4.07813e-08 35.66459879 5764.682781 90.38775316 4.07813e-08 4.07813e-08 250.069541 15784.41625 1473.427382 4.07813e-08 3.969723308 4.07813e-08 208.2964886 579.2295573 267.5119948 225.3691753 159.6923646 478.7479114 185.3527937 11709.67779 4.07813e-08 7391.215975 4.07813e-08 1123.440322 2785.36008 4.07813e-08 4073.022418 325.2156789 145.2082426 265.6042389 422.2311494 735.1804034 170.8877952 7.099238065 782.7811153 157.4124808 95.53619715 125.5791982 4.07813e-08 185.4019988 58.12659273 4.07813e-08 150.3785357 4.07813e-08 3587.967561 4.07813e-08 (R)-3-Hydroxybutyric acid 1771.205787 1746.036852 1719.259151 1628.414595 1684.941739 1402.733242 1549.978362 1570.540378 1521.479006 999.2324294 1022.847677 973.355902 1011.332075 1074.590264 1017.273864 1556.217629 1030.556458 1163.323661 1084.153646 1002.29837 979.2881178 958.682837 1087.954343 1024.889161 1073.27416 1449.560905 1242.33458 1037.871022 1205.289381 1332.431069 1346.899895 1091.435705 1227.908619 1028.637159 1303.274098 1305.375338 1270.378417 1244.305616 1481.992145 1054.653011 1083.919043 1100.334931 1081.689025 1429.580776 1110.474793 1374.306612 1184.399518 1158.212087 1283.198145 1216.276478 945.1636137 1232.764103 1153.722866 1497.453136 Spiramine A 9169.551398 12726.64053 16804.14299 25178.57098 22112.95652 10769.63966 10837.17913 10287.70485 5451.273026 12748.83516 12455.08973 19127.22207 12868.6023 18798.11802 9477.552314 10260.94968 711.0922486 5360.080673 17460.88462 13096.017 6972.624929 20462.06936 4744.889444 6062.770934 13021.65569 24058.27864 14865.28676 5401.394251 9693.282406 11733.34613 6142.80407 12833.81251 13360.56413 8589.552835 8178.917573 8080.572403 13232.98728 8192.791419 8954.653302 4212.550202 17263.62851 12237.21019 5461.125968 19317.00705 25767.68728 5632.666995 8844.792801 6725.82704 6386.119481 8433.582437 8710.19507 10512.60924 8980.464899 11534.57383 12-oxo-20-dihydroxy-leukotriene B4 15488.65963 13400.83479 15873.82801 18365.42424 15760.33186 13893.87589 14584.7519 10822.77357 11294.51756 1124.780473 1171.701152 1254.305226 1651.728174 656.0983829 1684.345713 284.8078603 329.4636151 5458.893275 18303.93497 20194.18756 14887.80314 16676.95435 18942.30939 20337.97298 15900.96463 13183.47765 13852.22646 865.5153155 1114.358344 805.8566652 730.2996423 2403.059947 681.8195948 1223.115592 335.2136153 1159.638273 11171.00732 16632.97945 13400.47639 13229.53609 18536.97157 18657.82571 14894.89554 14034.7474 15615.98612 15237.81123 12197.71212 14544.73443 9659.204629 8197.076815 2161.073069 14332.84017 1815.842426 13444.51072 20-trifluoro-LTB4 39216.95395 31656.31549 30162.26759 35253.79662 38993.85007 41465.37752 46063.18382 27551.55216 33707.23861 12599.61799 22818.76623 8163.860262 11760.02905 12861.17441 10403.92406 9169.211482 6261.934255 20271.93721 115373.6776 118908.9502 82403.1744 92299.99941 127795.9128 109192.1194 90843.01305 81317.94923 90049.08376 6047.996998 11137.74474 12616.3109 3882.243454 25652.96959 7605.452804 11127.00468 2675.043896 5505.872229 56093.47674 93647.03211 64581.44128 85865.57741 109866.5009 114125.9012 90987.6874 76506.18699 123591.4868 82925.33819 56182.24766 77727.59401 53766.69923 39403.70849 21660.47903 77547.73217 16305.82237 50084.06018 (S)-Laudanosine 2547.048853 1019.566016 905.0969643 1260.084409 1477.154723 1808.112081 2003.208757 599.9031662 699.8670449 264.4564303 960.872514 214.6914517 342.8840174 171.8239424 500.7410526 367.575228 4.07813e-08 308.3475355 4004.704734 5425.170348 3180.534885 3630.462769 12653.74116 8206.459429 6434.923104 4703.175903 11035.9512 8.629139561 114.0462021 173.7057726 132.5629555 441.4511684 158.6838252 33.0238421 4.07813e-08 116.6331014 1775.404904 5179.782722 1393.996283 4958.759982 4654.274037 7411.871481 9461.693255 5627.783819 7163.268532 9307.620386 4776.684443 1832.554041 2523.985512 1917.422751 476.517511 4325.424932 331.6591669 9047.161603 Pregn-4-ene-3,20-dione, 6a,17-dihydroxy-6-methyl-, 17-acetate 86800.25648 89760.19192 121630.3637 117709.8718 110650.3618 71495.27589 71864.9912 87874.62921 81192.90305 12426.97981 6885.577395 15237.21881 14370.259 14150.23964 18929.15574 6398.638766 2310.861301 41320.23843 41915.36774 57881.90162 38525.65933 50487.30258 47008.2887 38105.42665 44006.13534 26022.92223 35787.08051 1909.91841 5918.662254 5603.429862 3172.045116 3873.894694 3399.350066 5512.199428 4146.359541 9971.585868 29960.74892 38647.42806 29235.00872 50493.94973 49992.61812 41092.57811 35440.38529 25584.50887 40771.30711 30988.89839 23377.82157 18209.13102 17907.50403 15471.30917 10392.20387 22840.13042 5108.336283 46829.83789 Lovastatin acid (Mevinolinic acid) 76152.96967 71673.62547 74403.24061 63514.49337 76276.01339 74740.38139 80866.49229 55884.13209 68293.57636 29636.60172 31226.32624 26041.86638 31982.9091 30346.46025 33463.29091 8762.319468 18067.14771 41279.04163 125153.8911 126917.083 109926.0184 111987.1452 131255.1565 118292.2316 105639.4867 115040.8782 120875.1547 16658.44101 27367.84267 16289.05338 14010.79619 37799.95561 16450.87221 19307.80655 8211.279609 10639.04749 76769.19968 110146.0621 96248.04601 111463.0083 100638.4183 109437.5983 98428.41383 106843.271 157306.9062 120351.184 95840.65152 98659.20141 70559.81562 59277.3486 33773.06721 94765.03687 20455.92608 80986.56467 6-Ethyl-4-methyl-3E,5E,7E-decatriene 4892.996204 270.1667072 5074.079187 92.6752609 139.6600713 14984.51467 23673.61055 854.1300364 20335.86237 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23.84846043 4.07813e-08 23.53991177 4.07813e-08 35.11742508 556.5372139 1209.716793 3953.474525 2453.819619 1406.234904 465.2786823 84.99793006 194.5280324 4.07813e-08 4.07813e-08 4.07813e-08 56.42997706 26.52444879 25.12886773 4.07813e-08 4.07813e-08 4.07813e-08 12202.49143 5160.937172 6042.054477 2633.095341 2417.168881 1073.351873 2179.818775 41.60664773 4.07813e-08 418.4796047 632.4807026 4314.816033 16171.18141 3068.49275 130.011211 3007.048512 1122.235267 13751.57164 Anhalamine 55.82682443 4.07813e-08 202.4073449 4.07813e-08 97.5621557 4.07813e-08 51.33105613 4.07813e-08 117.109536 1967.929003 5749.953022 6378.636229 1414.264595 6095.396288 1516.005652 1321.329926 2729.474755 6062.097859 186.9753314 438.9019182 383.7005274 113.2136102 135.1117287 4.07813e-08 156.345688 1520.188893 194.1102544 177.6735168 1978.429506 4112.891597 1587.111833 5596.824473 680.7692328 1309.460508 1092.120742 1134.980215 36.8629401 42.20251422 48.35931027 35.74476888 74.69164414 174.8214248 4.07813e-08 590.3977427 4.07813e-08 143.3968386 125.3244705 4.07813e-08 143.0453092 4.07813e-08 1051.910854 4.07813e-08 1492.495038 4.07813e-08 Dibutyl succinate 8152.956546 4759.249859 6810.524817 5689.864863 6663.29953 7259.281923 6778.064566 7074.075191 5030.063372 4.07813e-08 4.07813e-08 35.34506474 4.07813e-08 77.10527929 32.83557828 4.07813e-08 4.07813e-08 4.07813e-08 8076.514675 9610.018699 7535.677176 6887.386681 6476.78588 10535.04598 7405.592869 6971.209025 9210.244737 4.07813e-08 40.0109142 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5188.162015 9331.237754 6179.743118 6359.676682 6464.267954 8444.26622 7867.19668 9121.218329 5839.089749 7482.718122 5576.58779 7075.267445 5521.98088 4294.11228 4.07813e-08 5831.391592 4.07813e-08 7223.418063 4-(N-Maleimido)benzyltrimethylammonium iodide 9883.286183 18076.14472 29573.39429 7139.825422 4641.857638 25807.91223 6840.023424 52338.14197 49901.55936 72.44961966 4.07813e-08 2932.582475 171.5864834 2667.602634 5167.937144 998.3478837 3806.957256 4273.906684 80442.23063 44944.35867 59063.48223 23282.61622 20116.84737 809.297541 5366.656651 225.0700052 359.0123373 1063.265302 2294.167414 4.07813e-08 318.5832865 161.0402475 4.07813e-08 2641.279224 2508.363931 362.9091319 38269.91031 21725.93219 65796.65565 53736.48265 13914.31683 21831.21055 951.5719253 247.7819553 4.07813e-08 137483.9248 97881.54508 48865.21445 44558.81005 20223.239 3262.609353 66111.038 305.1992132 19928.88925 Benzhydrol 324.7995423 242.5269224 1372.095078 843.254983 482.5160535 576.4031529 657.2001359 1186.675157 1624.069999 4.07813e-08 238.6139664 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 187.0231903 4.07813e-08 65.45905802 1063.4397 1639.474576 1597.893173 1268.184336 5353.099362 1920.3042 2064.347865 1267.050331 2200.465473 35.73493571 4.07813e-08 398.2081178 71.27467496 42.41305572 32.65879712 4.07813e-08 4.07813e-08 70.57752351 333.7440853 355.3230336 451.4838921 372.1707095 1074.486208 387.2119647 1661.025606 833.4473509 158.6549395 545.0081593 76.8076235 517.9651254 968.5875697 156.3196733 4.07813e-08 839.6210887 39.5162905 626.7667492 Cavipetin D 14132.78907 11768.64626 12069.84132 9741.79976 10292.18369 15042.79174 7090.549492 10752.38357 5960.719132 545.4453309 638.671279 209.9920276 1160.038708 77.46805987 535.8553637 286.9320044 102.2473509 1027.993976 6225.38123 4500.265852 3564.632222 7549.065122 2964.540695 5448.002934 1298.71894 2151.97985 3145.009633 181.3009809 104.0130225 91.2265444 130.0736618 537.1436714 257.8823039 180.5375231 86.81019086 309.6830879 5047.845107 3419.756927 4220.414726 5020.888526 6732.714007 2337.620581 4039.219269 1562.188653 2843.178433 2800.301663 2105.408328 3101.454101 1321.389782 772.3119407 570.9610584 2692.555549 267.7307072 4788.705733 SWIETENINE 78163.61118 73279.56915 81992.05929 66387.37344 54440.06255 70221.2237 60159.59995 58453.08015 64454.59727 26520.10967 26377.28916 28045.62374 27038.37885 28165.26585 19205.86789 33067.25528 7939.662321 20123.23578 43366.25275 48550.94695 45412.40917 50811.97015 28815.8763 5844.201156 33491.94011 11760.53503 1049.14493 12923.02444 50240.93788 46547.48775 49628.28692 53473.14794 35159.53126 40811.64539 20748.04683 43019.41654 64522.672 41035.77923 61310.64073 48884.10623 37015.88132 42025.67726 3446.083387 9827.55604 1798.824607 62924.91546 41342.56274 56680.16944 39932.74352 52859.93036 27029.45157 49931.65874 38505.73039 59102.81631 CLOVANEDIOL DIACETATE 36571.16105 30345.86495 21877.97151 14943.45482 10328.59183 26048.30864 28775.8712 22536.76021 26724.67814 473.287968 469.7183408 271.4646402 293.7636153 339.8818577 1128.570346 4.07813e-08 193.9126954 542.4518276 17685.59578 18247.97594 16689.33415 16563.02813 13899.31482 19907.11015 11752.04018 15456.25897 13058.04175 161.9733898 85.92716326 4.07813e-08 1214.567492 4.07813e-08 264.0428013 1962.467678 220.5681841 107.2537472 16198.86339 19304.08231 15207.45809 16261.76137 17078.0866 11830.88472 17941.08615 11769.61095 14150.0167 13478.59252 11946.5141 19624.42807 15313.45501 11246.72168 1197.809023 21225.43128 305.8194653 18569.34019 MG(0:0/15:0/0:0) 26995.99611 19738.13902 17797.6109 26814.75664 23195.33398 27991.15582 22487.46534 20416.43655 19855.5737 11246.33559 16042.84281 10814.08597 9856.1255 19717.75856 11004.32117 11429.95882 11631.26682 13728.63418 13825.89063 17794.23162 16291.96871 10284.04656 10426.05151 20587.25553 18816.2469 20889.37302 11478.35478 13894.50906 20090.02057 16456.02982 15503.92262 15220.88549 14604.06334 20676.18278 9963.138968 18659.49368 25083.37097 14853.43768 16280.41087 27975.35195 11995.1919 13979.03733 19509.83961 18680.58965 11349.57093 27235.86104 27311.79867 13952.98263 20933.0569 14185.50937 15117.63464 11974.62142 40241.22223 25880.05989 STROPHANTHIDIN SEMICARBAZIDE 11725.69898 9841.31415 7534.406005 7809.522416 8822.894481 4538.011022 7455.92756 8509.436437 9838.87587 4.07813e-08 115.6663258 1619.890924 169.0189212 1453.703535 2236.965676 1306.701629 6853.704582 3079.89425 19621.38785 20928.13316 10407.58413 12286.20035 5121.072708 11920.70434 14295.39876 10461.50799 8067.124616 2143.970247 1846.447089 2351.130645 2959.267299 2691.757189 1420.942589 2513.966704 2763.198301 3267.150303 16537.16578 17256.40367 11261.82685 13211.30556 14500.14288 12691.39122 9936.806612 11508.50098 23602.473 12937.28717 10202.0821 8959.60726 7880.5561 7373.6763 4723.028139 10794.07687 188.2056806 7748.387754 1,3-Hexadecadien-1-ol 83036.29166 78871.6032 67661.12656 68201.51419 69107.8161 54094.46981 55836.0241 70714.39568 69185.65638 46097.19369 40419.0789 21559.35497 35435.83727 38632.11364 27145.36823 55258.62048 30219.45403 38226.76721 49188.31836 45995.73024 36996.30771 44603.21375 41118.74238 40051.00467 58267.05544 57320.9296 58481.21231 36999.48703 33817.29836 34755.32878 35820.55625 39342.21768 43510.91832 40707.39601 23254.78587 51449.70942 58738.93351 51865.11969 41041.68657 40135.1158 40353.13695 49966.21441 47387.16734 59377.08394 54030.06462 53452.71411 47481.79963 40858.53699 56706.71138 61926.91327 36049.58612 52865.30591 52773.49641 64499.72568 CAY10621 4.07813e-08 4.07813e-08 1139.851547 2295.842232 1164.83036 3749.849999 329.6705331 4.07813e-08 904.0908857 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1512.144876 1895.692251 2471.805702 4207.4555 5086.183089 3919.988062 2133.232103 1240.911238 5975.86391 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 643.5046383 1736.420644 1090.663516 3017.662456 2221.107268 3377.763482 4638.905553 1057.024475 5497.009351 1953.220994 1956.550899 2653.940585 519.3479396 661.5720506 4.07813e-08 1814.602905 4.07813e-08 1229.084184 Methyl (2E,4Z)-decadienoate 7478.836953 8264.453598 8244.232104 7264.785821 7060.573892 6643.96866 6539.275809 6940.156989 6409.724086 4354.398768 4708.83866 3992.986708 4325.212375 4007.424686 3968.436826 4930.267176 4076.559555 4744.747312 4915.068974 4738.636332 4340.171499 4919.160838 4289.143404 4494.033351 5551.113294 5732.707057 5238.525443 4176.024457 4783.355401 5142.378132 5421.863551 4441.789624 4590.329042 4043.865949 4879.763081 4856.866397 6299.322779 5409.368201 5329.072597 4426.387586 4173.387202 4689.824164 3938.05206 6802.401049 5685.400879 5865.100467 4813.455959 5137.427387 5731.827827 5240.393332 4041.109588 5024.258008 5007.007677 6987.731307 3,4-Dihydroxybutyric acid 2019.52259 1808.254455 2452.09894 2305.83899 2517.937477 1794.850676 1576.466761 1628.710226 1834.603425 1471.169016 930.3156224 1133.211522 1559.993033 1472.867463 1070.833804 1795.246055 1125.1744 1827.384575 1116.854971 1366.981701 1205.34103 1367.32936 1396.183795 1367.005784 1813.307741 1756.493335 1811.169442 1354.420179 1229.192615 1928.68038 1624.420163 1401.33532 1654.839059 1147.731404 1425.101845 1949.161178 1365.940996 1269.407554 1404.555562 1386.262619 1569.751773 1219.947638 1564.505895 1965.941274 1451.129738 1443.59103 1463.047819 1222.135585 1586.723829 1813.647568 1518.211416 1347.993256 1437.076178 2124.962364 4-Nitrophenol 1234.602121 1377.333603 1244.907406 1338.467271 1276.210546 1135.251113 1228.048021 1173.402539 1274.32791 806.8414538 844.3280675 662.5968669 822.2426133 1055.94602 660.6717523 1070.708319 949.1686048 849.2164191 846.3702732 795.2794921 784.2276003 1194.372913 880.0802572 917.0214117 1259.7164 1316.133906 1053.330897 989.6267621 772.2063036 959.5172822 853.272814 764.197026 860.644121 801.2100172 951.2006497 1345.76552 987.1656658 808.1330023 922.1456979 738.0645721 1057.598727 1082.491283 875.9846012 1420.107538 981.9823392 1244.342844 925.9187134 1057.005652 1086.468887 1062.014228 767.9802903 932.1639966 1002.765264 1163.237318 2-(4-Methyl-5-thiazolyl)ethyl butanoate 9428.980586 9115.440694 10754.31578 9480.927307 10454.01439 8302.499564 8377.985649 7622.30715 8472.458613 6697.168153 5361.784722 5694.011042 6403.259204 7091.458696 4905.973339 7821.675733 5820.054141 7088.336301 6139.199074 6975.248936 6108.866844 7076.994057 6995.074185 6338.126397 7346.594893 7990.07723 7548.852548 6334.643523 6370.865722 8296.938563 7276.005299 6257.428916 6764.379392 5529.348638 6512.87042 8296.579053 7814.666358 6252.043459 6539.497425 5897.274444 6643.988181 6544.433318 6547.700595 9001.482934 7199.753731 7804.04281 6974.96474 7195.527036 6848.611413 7480.533187 5791.607987 7227.650919 7564.901139 9070.798665 3-Hydroxypicolinic acid 3031.253905 2897.354588 2301.386729 2555.204482 2362.779286 2291.379176 1783.926516 2446.236989 2417.868716 1728.555836 1416.38504 1482.015623 1625.454778 1594.100305 1315.367348 2261.781739 1436.503171 1875.838 1639.897754 1623.163911 1589.520921 1570.56905 1566.171472 1517.234816 2155.382892 2182.625049 2008.064849 1364.509091 1652.459003 2026.27975 1744.549359 1445.846976 1920.286587 1420.757791 1825.949211 1968.792092 1933.125143 1546.395951 1522.025189 1585.762407 1780.655625 1753.035083 1718.273494 2260.754092 1712.746647 1806.285177 1764.181906 1794.302049 2191.784092 1656.829 1512.661638 1786.3776 2027.87301 2364.583151 2-Hydroxynicotinic acid 1489.52994 1423.635407 1770.154075 1439.813327 1854.345444 1406.553699 1013.548265 1691.963788 1360.074336 1088.328169 1076.338722 1038.681528 1001.470745 978.6409113 819.4006122 1715.656704 991.4877335 1251.479569 839.9738859 1001.981499 1158.541711 1016.075012 1124.202576 843.0586197 1333.070615 1288.058946 1152.78912 863.2362945 992.7072772 1179.367769 1340.259467 1067.881875 1128.011363 1071.201197 1142.451208 1338.655547 954.5335249 902.9690794 966.4055369 1218.495516 1230.327275 978.418528 1272.190629 1255.445901 1282.033215 1067.252313 1296.844208 920.4306209 1209.964719 1554.683601 841.7399819 1341.929445 1217.043228 1570.847895 N-Nitroethylenediamine 280.8043079 313.5347768 335.029607 298.9142248 384.7603128 348.09434 258.2513191 548.7949026 234.5495491 341.649224 325.630989 325.8294347 227.1139877 137.4982001 244.1075085 455.6291182 207.7084097 436.3645221 265.9641954 292.5723021 159.5264811 271.4101154 235.9146821 192.2548234 242.9759777 419.6526199 306.3473157 198.5133515 222.3021348 331.2449139 344.2346332 327.4597566 399.3032018 255.4712625 408.5712541 429.0397825 394.4406159 192.586932 250.1949339 321.9262368 340.9638323 274.6126267 374.6179144 174.6703182 336.3051966 269.0427871 356.629848 360.992615 160.6795608 219.6813709 174.8887129 332.1375804 376.8099584 420.5968472 Ammeline 4696.230719 2353.848475 7529.611462 7111.191687 4831.208789 2780.885245 3691.053352 3314.215756 5321.858933 1338.917215 937.0835044 2274.503388 2108.919158 1916.270503 2851.558926 112.5792034 1065.270183 2491.215842 4187.190889 3369.544445 5135.181031 6535.613925 2769.519458 5220.491213 4268.27169 3163.204599 5702.749249 3229.976053 2273.181239 4074.543823 2182.678313 4289.408843 3383.535187 2024.233204 3515.823937 2176.649151 2726.323869 5360.503186 5565.632075 3597.02671 4069.737884 4432.381971 2904.079662 4845.937561 3973.094567 3141.926359 3364.759117 4982.654186 4617.758756 4804.324534 5116.265201 3558.484884 1325.59443 4751.326984 Thiodiacetic acid sulfoxide 13616.28058 14118.10549 16506.93568 10338.18979 10153.13525 9803.303937 8572.352336 8297.73309 6815.110013 6019.969103 1934.758487 3528.765711 4272.863786 5695.886937 3615.04152 1874.091166 10927.82957 1916.625724 4.07813e-08 4.07813e-08 2471.124917 1981.844083 2211.96173 629.9867763 3208.207463 4.07813e-08 4.07813e-08 1847.553435 2748.7017 6429.675048 4337.212759 3394.818755 6243.12908 2948.782948 6275.369053 3709.858988 4278.553742 569.9173823 3281.291597 4.07813e-08 560.3308648 1667.669733 1400.331439 4.07813e-08 1720.006122 5916.443944 4510.400214 5658.475666 9303.079956 7815.982326 1708.31004 8372.929138 3186.292516 12205.85701 Valeric acid 5707.064372 5799.568422 4922.071219 4076.716294 1742.228525 3409.424497 3602.450184 2513.663845 1150.24099 16215.20463 6756.718157 21777.31514 12495.99117 17039.23089 11788.91942 6633.031453 15954.20621 12657.92122 2799.184888 3416.120874 3443.721746 2083.615673 2984.162004 2992.805231 4171.449066 3507.522953 3560.578538 6063.064606 12366.52594 10656.332 14834.4598 7913.292099 13680.17973 18749.16028 3288.137786 15562.81712 7921.264298 1704.867911 3066.068978 2705.369749 2285.962767 4976.026719 2965.424031 3272.928884 3418.10008 19914.15597 12001.70061 3510.458488 2829.943612 3777.050849 9786.587988 2005.513962 55100.6996 4499.316286 myo-Inositol 48428.61327 70779.87608 51402.25151 86974.07144 81319.51681 50043.70436 126690.7155 49015.91067 36208.07959 5287.686044 3884.898594 1816.762895 3058.04625 9126.560621 15116.94924 5158.317046 5240.344633 1891.177989 2620.77395 743.0846086 3782.759579 6740.602666 4442.009413 566.3434391 4824.021658 4.07813e-08 687.8686021 4.07813e-08 2101.408985 3017.169978 5166.56169 526.5152143 2708.938408 4.07813e-08 4882.390648 3526.567068 5862.736853 7211.705774 15312.92207 3514.899464 7419.414115 3928.813514 4.07813e-08 4.07813e-08 2844.842692 6701.008162 12175.27922 18999.27803 50857.19194 25829.10226 4.07813e-08 27519.2613 3382.826869 65370.78582 6-Hydroxyl-1,6-dihydropurine ribonucleoside 3280.999159 13401.99681 4271.083038 8488.091265 2649.698764 5939.175966 15562.45672 7308.799752 5981.039286 83363.85029 88643.3859 43245.70253 91795.39236 57294.18087 35449.90614 41758.24031 33415.11004 51232.1932 3775.744993 2829.055892 4618.538556 3505.676545 3904.277917 3870.929199 4681.49987 3543.924917 3150.880988 48205.8909 63400.45246 74338.40563 47835.93299 74808.99593 62684.52767 49496.83428 33488.83231 52488.47748 1633.885462 2843.548335 3314.928248 1425.02574 550.0183397 5514.462558 2959.571683 1963.594782 3354.146557 3268.943236 2665.560482 3951.018368 6275.117714 9441.73353 55236.87475 4749.81472 74856.13707 8595.235586 Prolyl-Arginine 155527.657 123218.2068 112360.0849 161053.0107 83917.1317 52158.52225 159304.269 171149.3403 254553.3199 4900.975353 3751.809643 10637.75108 3302.277953 2442.632955 3840.881004 2522.461868 342.252421 8516.298559 14293.64455 15510.27831 32634.26219 14464.46994 23059.47796 26092.33238 25326.84483 16301.93211 31784.38347 4277.576608 5771.965228 3374.233214 2859.134793 1819.766165 2091.264796 7412.890212 5403.015916 2096.6195 31239.49368 35708.88228 60416.86119 55169.44964 16616.50036 20498.84745 21255.84536 20050.18243 19298.449 28850.425 28679.8303 40992.95908 69223.51801 85083.17085 4433.389313 20638.80917 3988.337358 22700.51837 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 17314.71345 59184.73918 18708.27262 20365.64561 27840.94953 24246.20753 53090.32146 27413.55351 29758.98477 255870.0552 199276.4724 43571.73415 273974.0808 44905.53709 102844.9849 28823.05026 53467.20916 77968.92186 24756.45188 23246.03961 24397.40466 22916.08204 25437.93196 8814.180509 24110.16605 23668.93023 25250.26532 216458.1618 217780.5223 59698.75069 142515.3414 238062.3349 134508.9721 291324.7646 42937.7917 59622.35798 25424.24205 24904.74134 30624.55467 29494.07092 25855.28827 22968.43067 10343.31159 21093.24073 26582.32195 7897.995071 10405.56973 28521.75328 37144.35632 71368.23635 256329.8987 23465.2929 181583.3527 36543.46881 Diphenylphosphine isopropyl ester 71549.12421 34197.4905 75918.36243 149350.2402 158086.6088 83515.81781 99015.33913 58772.99934 66403.02536 7896.718386 5628.652835 3824.971114 12277.60049 518.9877899 2163.389914 2215.290806 2896.359773 4409.925285 61020.69499 83196.88314 77024.8648 89248.3659 112398.1682 92090.95771 71694.11178 56194.06139 60653.55093 1110.151772 3281.595747 5099.209839 2494.636459 10152.3669 6092.874637 9894.807301 2231.581311 7240.71783 62868.5122 103663.4199 97468.51873 90910.7587 114518.8624 80641.46681 97844.6908 59100.05364 51658.2827 72210.50125 48269.14526 83801.8495 68677.83379 73591.88916 10831.56632 71768.31243 4959.316433 66697.46029 D-Fructofuranose 1,2':2,3'-dianhydride 199012.6623 235028.9917 335211.0986 340311.6895 201624.8878 245588.2096 300523.9472 300115.0793 154358.9805 218344.1841 174855.9296 126177.0275 152540.3802 165868.3431 142966.2362 122106.7058 29594.38779 32087.81678 79318.40602 53084.8155 78424.3203 89925.66166 50079.21949 56120.13087 87723.62451 48989.26362 75588.92969 73738.29191 101863.5363 144886.379 109140.4652 89970.53735 194752.6389 223666.0632 88355.40966 142179.5436 123930.3845 134016.5621 151154.0983 80554.15058 75727.42356 64676.03387 44766.34329 54171.35937 56284.32399 54550.01721 50800.46409 104868.891 125069.4364 145275.023 89871.67489 86291.0926 147336.1915 143723.1573 Allose 11508.58116 12402.24173 14528.29677 16654.33801 14315.18725 11819.69968 17132.93502 13995.01582 7707.312013 16006.60972 11416.94395 10037.96081 9170.799991 11427.43796 10762.89895 10104.71079 3472.827908 4171.898827 6679.478971 3964.997509 6554.105882 4663.658059 7434.469703 5763.079155 5718.324621 4477.292281 4948.21163 4814.061728 7809.235335 13592.87816 9885.599092 8747.992344 11783.43078 20012.65974 7396.011229 8466.582731 3520.475955 7338.033164 9255.175448 5424.018763 7854.209748 5347.275436 5548.20613 5929.69112 3714.520358 6813.840623 3534.432674 6861.385333 8451.420266 10873.70434 5052.522198 7077.336717 13247.01565 10979.50981 Fludarabine 6172.531855 6857.164863 13550.11974 12817.9659 13980.8824 7964.664394 5567.976363 4611.866535 11785.48803 10982.44916 9346.753042 6375.401761 7913.76724 10095.14325 4115.296524 1752.378476 9985.952538 7271.020658 7666.818533 10786.07763 10531.0699 7730.713913 24948.6309 12319.50473 7765.798893 4304.649507 11846.11616 11477.64729 7319.168747 7350.460812 9252.926492 9757.807505 10952.33433 1979.980138 6999.523097 10864.86589 17897.10813 8037.172932 6213.750125 12009.25868 10573.77528 11747.225 9665.228472 3735.312995 7116.289906 4028.547138 6476.797226 4835.967121 5415.470875 7905.775444 6438.697411 3870.916755 6050.964349 3565.242814 Ethylmalonic acid 9946.85602 15969.83926 13179.8512 15469.95267 12312.63042 11901.86891 15509.99639 13820.58428 11724.32917 9018.464645 7461.392158 7954.668115 9172.504346 9581.291753 7212.445284 8807.146928 6412.879766 17369.99318 5218.39809 6537.211736 6773.280706 6476.032607 5387.984464 5353.69088 5872.914976 6993.655121 7674.951661 4811.534321 8524.47209 11117.66721 6823.56724 8392.387907 10688.3631 10253.56296 7042.638892 11738.11324 8046.665105 7067.919881 8309.219793 6063.301717 6417.99592 6308.073096 6064.684235 8278.291611 7979.519338 6987.023555 6268.189921 7359.408444 8854.418288 9708.302604 13189.11245 8799.302061 10418.92566 12154.33872 3-(2,4,5-trihydroxy-3-methoxyphenyl)propanoic acid 16051.45388 46023.64932 32056.04987 39470.69248 39155.149 27430.55108 40093.41851 31533.65339 21621.02521 26302.96779 17540.41714 17220.75126 26701.83855 22463.49899 16441.96439 14698.45166 12833.10741 83309.111 9062.675526 4848.03332 7683.981627 11489.5095 9008.569325 7067.46746 6344.840303 8995.400904 8439.055263 9330.532772 11956.29051 26412.5289 10799.13371 22127.64933 40970.4211 27908.70465 15333.08761 27178.57257 8433.982701 11321.38643 13101.52024 9558.295585 9650.720049 6636.869124 5152.682594 9401.112477 12571.73139 7265.897146 8179.546572 12602.105 15360.69588 13776.13798 56313.19579 18127.30603 28774.86308 26437.04096 Senecivernine 8951.654619 8815.568653 11845.21108 12943.77577 13795.26911 7627.332998 6418.58739 7697.671476 9605.703882 3939.900209 7508.317003 7809.995608 4714.321451 8163.137915 4785.673434 4772.12116 2427.837603 7394.132728 22110.20317 4942.540664 17683.54359 10942.03503 2758.931104 3347.951355 7120.446491 15811.33938 7237.167395 1501.447187 6301.6413 10620.10507 4943.640617 10094.68685 10972.38562 3812.131444 1894.511415 6303.772701 8691.508398 11905.1017 14795.17151 12228.61989 8947.572387 9860.514617 1874.062923 16831.00983 11111.36519 2047.723965 8672.414744 12636.24762 14203.44206 11330.69125 7887.35418 17428.79792 13298.70066 5666.626215 N-Formyl-L-methionine 699.1350733 809.911586 964.5220954 1828.236651 1190.248017 1241.291375 911.2720319 59.09123591 556.949955 7122.574588 5397.336421 4661.685655 8506.643288 10886.27756 6148.804638 5298.086105 11147.23393 8990.596547 3185.941709 2950.285886 1379.732605 1355.590099 505.1204478 1128.803595 544.7789975 1479.821552 748.5037335 2475.406056 7962.728963 10211.75868 2573.932902 5500.650385 9048.376973 4356.467744 14038.1369 2740.78714 3708.767427 3520.728376 1728.444959 973.9581533 1569.228365 1706.672676 1060.172164 1119.433344 3516.25654 1021.802438 216.3139762 1648.156008 1102.439175 1157.568488 4564.240578 2501.993728 328.2655469 809.5170364 2,6-Diamino-7-hydroxy-azelaic acid 125815.3429 139313.7294 73374.31973 87189.48536 76610.75706 62565.24685 139826.9279 140213.528 165678.5105 19914.08145 14104.52106 27725.01866 23075.89014 13367.87489 14852.0362 10515.07763 13280.22404 23940.222 25733.62244 31710.49124 40739.18593 24294.10169 36744.12538 33848.82231 35420.07746 32740.97029 45807.92816 30223.82145 16155.81107 11265.09336 20376.40505 13476.71538 16493.18174 23377.79752 16621.17739 14982.58533 33287.27971 42771.5843 53297.10936 52924.5995 39868.48399 34006.19415 31321.53169 33840.28286 33986.66938 32496.51643 53055.15569 36048.17133 74035.05048 92832.07556 23772.45831 44380.1256 26431.09053 39436.56899 beta-Butoxyethyl nicotinate 2824.13825 26120.89831 3947.128351 8524.536909 2116.404169 1863.479741 11856.87754 8714.406374 3865.279064 79238.21046 76540.47258 83930.55632 79577.19458 71952.07374 53116.89147 47868.63518 32763.91493 71953.85674 5425.412435 3504.255743 3371.176621 3237.710693 2375.233259 3861.092347 3401.653217 1784.637651 3107.319862 54240.47651 70084.56631 81985.90899 43186.58867 76101.0155 80892.08558 76793.29344 40258.2817 72236.97746 4034.624225 3171.623651 3542.248452 2694.427421 3236.942141 3386.803388 1851.670449 3194.044922 3649.394244 3912.948847 4596.187327 2787.354105 9345.654869 20597.17331 74562.05852 11083.92135 69620.86423 13284.63742 Erinapyrone A 1281.518126 1201.303861 1628.94946 1602.01699 1574.04678 1327.215444 1185.45871 1817.129145 1728.065462 902.2002114 1012.263086 940.897153 997.7653678 974.0279297 795.5827859 1466.007757 916.265896 1090.492669 1105.464359 1154.444859 821.521897 1144.513828 992.7174098 1329.99327 1500.167572 1365.112505 1493.33744 827.145476 1014.624883 1054.074939 1212.327598 891.4628329 1375.70416 826.4170472 1227.435112 1213.440862 1254.229834 1282.324761 852.8921732 691.1657065 1183.983853 1283.865087 1162.511599 1543.406903 1262.086308 1358.183846 1157.078912 1164.351108 1529.506912 1279.236645 1073.014429 1208.65065 1130.085954 1720.501973 Histidinyl-Proline 12295.94416 26055.09539 3119.970845 5496.720724 2770.903834 4332.178806 10287.89505 7890.826128 6222.271321 50811.67572 40747.65696 31574.95564 50383.47336 30090.25604 39176.09938 37527.47908 34104.54995 57790.46636 3680.939862 3371.805418 3293.928028 6834.114989 10296.46881 2657.826975 2956.647337 5871.147621 3488.389822 35719.48471 35492.927 26734.28507 35070.99716 48999.97323 37217.00284 45296.77461 22198.08123 28046.20788 10423.74306 4113.957853 3167.939522 3310.492875 7506.060419 11313.28327 3333.741078 5885.646062 5259.436304 3067.983648 2095.554098 4320.864884 11055.38335 14266.46668 44551.44347 9578.253479 38799.36297 6766.965115 Hydroxyprolyl-Hydroxyproline 119637.7442 151816.5132 86381.46201 87987.06079 86584.78679 79909.2224 135391.5775 166891.8712 208328.6037 63917.71139 36277.37961 82328.31731 62894.17281 31612.27688 44371.66871 34340.39126 23026.11501 76491.83828 53105.5465 63729.67904 56702.77542 39239.64247 56898.89473 63608.4388 63713.10286 69531.672 83311.83346 65765.30905 52313.7678 34236.34461 56308.73154 36157.78588 44449.63644 76957.60924 41040.29765 44202.32853 55200.17191 57032.1706 53927.43533 68257.96725 53335.72254 65856.05564 57193.07335 83636.60474 57982.89323 91000.63544 92491.45022 81214.8116 96229.84848 99984.17423 63695.69412 96096.53872 65888.33614 88425.75916 2-[4,6-dihydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-2-methoxyphenyl]acetic acid 9987.571622 23239.74591 12890.2723 12504.15815 8340.208885 15496.34454 17545.07271 11564.18152 7106.222498 47365.29267 16520.32495 24833.41477 57138.64983 22421.05115 60487.59544 7545.232002 19012.66129 42523.39192 18716.44874 13894.19904 11716.27412 14683.05914 18416.16581 14206.13748 16339.63435 6844.343435 18181.69454 65771.25558 65841.70001 19027.62935 71121.19311 71859.22596 31631.32737 79611.03068 23369.08664 23466.01398 17217.66614 14781.21787 17163.1748 15102.79313 17532.49831 16913.47584 15603.4885 11730.81311 15510.99008 12574.2853 10901.28358 14738.20582 22788.99573 26451.84425 77086.63668 16004.66248 14656.14042 20946.79205 Propaphos 412.8503303 5657.696312 1888.362947 1306.6327 1945.691893 458.8009147 813.0037554 4124.568697 4.07813e-08 57846.23818 52153.5252 33073.0976 63302.24736 36600.62366 41766.69436 29370.1633 30426.34048 46003.88784 4.07813e-08 66.01387149 4.07813e-08 4.07813e-08 9.74307099 4.07813e-08 992.2005629 44.82416963 4.07813e-08 45159.3865 51021.08435 67296.53613 36420.9033 68930.25034 49846.42217 54535.47927 19826.51459 48271.62231 460.2214889 0.184584457 310.6667097 4.07813e-08 4.07813e-08 4.07813e-08 215.5547134 4.07813e-08 67.11041458 4.07813e-08 269.1007642 567.6598833 2565.053311 4511.638425 69828.81567 924.9191763 65647.65613 1263.023932 N-(3-oxo-butanoyl)-homoserine lactone 10298.87554 12851.75098 7224.570838 6629.991318 6947.562262 8074.27888 8409.58407 9253.009285 16615.81932 5158.966607 6796.84926 7095.288482 5151.958994 5869.731431 4132.658292 7062.170168 5578.331959 3835.950444 6517.590044 4385.583485 8076.969282 5884.197572 5109.32599 3180.48686 9190.333366 6709.265685 5044.076483 5630.321515 6508.130463 11105.72064 6556.822234 8675.24265 6432.107169 5001.717068 6529.301046 8706.456342 8767.853498 5524.979623 8634.668795 4684.018632 5960.166819 6532.77834 3795.847998 6848.755807 5541.14853 6249.055763 4735.394661 7273.769182 9471.862553 11391.56752 10380.72541 7361.090682 11334.88277 4660.161743 (R)-2,3-Dihydroxy-isovalerate 2269.532938 3549.150188 4293.947581 2561.056874 2674.94073 2383.454759 2235.883348 6127.465226 4313.225611 945.5078259 675.003649 1000.595755 1090.219075 766.0771865 601.3780119 742.6943521 663.2233542 1159.158396 4034.654864 2820.324587 2554.005579 1781.81291 1548.279906 2677.533641 1943.619823 2113.5824 1812.178576 782.4387142 677.4361389 685.9108532 595.7741009 737.33297 483.0553897 511.4046034 729.9453673 1197.192643 2083.715156 2198.008711 2264.561344 2860.742075 3286.22531 2361.678061 4069.437133 2214.530785 1501.711853 8960.801249 3061.566554 7932.458841 5068.954922 6663.310872 1245.157122 6628.022694 1158.949803 2994.022657 Arginyl-Glutamate 85533.79779 53318.04707 64792.96026 54859.42322 67958.20836 72494.97567 73883.60016 94912.70149 78442.56929 4631.923461 4691.385699 1892.884393 5486.63679 1783.097135 5052.48838 1200.293836 3882.022545 3190.492011 128532.957 122061.882 71338.07921 98794.0196 126184.9264 108455.8288 114473.2315 136961.449 143020.3 3163.051096 3103.89176 1630.319067 4078.977776 6490.280806 1171.668325 4262.544862 2055.346831 4494.851361 66683.7667 96693.46718 58108.49045 106275.5974 114559.7455 121509.0801 111187.7179 126622.2634 148750.2078 118586.2895 94440.97823 101839.3775 77122.80842 54969.92286 4111.889315 86886.74149 2745.771475 95195.9899 9-Hydroxybenzo[a]pyrene-4,5-oxide 2783.904732 945.2510472 261.2636039 610.9669236 2081.574337 1820.328117 692.2505123 4.07813e-08 4.07813e-08 135.266106 432.3342748 4.07813e-08 285.7032383 76.33038378 37.90364509 4.07813e-08 220.1113147 207.1475165 3859.185834 4053.504128 417.6828358 2945.586245 3805.945247 3480.4622 4645.052635 4105.865265 4659.757902 16.09231949 149.4568755 127.3914184 4.07813e-08 468.2119727 4.07813e-08 91.29551818 48.24172349 166.5664445 1291.541177 2613.707731 1348.244177 2610.146797 2912.412734 2323.912887 2873.811536 3288.592644 4353.974857 2859.660117 2731.831111 2207.095988 1620.502343 4.07813e-08 85.04204127 1806.8944 331.380162 2197.685103 Tyrosinamide 15420.89955 12488.75658 12615.87041 10118.7418 11130.98958 10349.6338 10820.76353 12898.85846 10715.1242 6042.051137 4773.588041 3466.200211 6459.933039 3435.69835 4231.165282 1773.075741 2162.16374 4813.351409 20963.75055 18148.09821 20363.18705 18273.82367 19856.93565 16471.83829 15762.8076 20403.59488 21556.73719 4790.309575 5605.426504 3402.272963 3645.285157 5812.614841 3586.25723 7984.011575 2451.676855 3577.381416 15403.71261 18488.58 17489.90934 18450.70786 19335.54786 18894.65694 17024.57882 20672.43156 26491.94829 15338.54947 12440.06847 14225.42995 15212.96021 15125.20307 6762.970953 13673.98977 4948.0456 12568.75442 Dubinidine 1636.553219 628.8335194 717.3345758 1059.276232 926.0049839 1018.01838 841.377087 269.4841869 369.7196 439.9236996 282.7111138 4.07813e-08 901.6791754 672.8032808 307.8359248 4.07813e-08 307.1758298 146.1474628 2564.741345 5403.440065 2396.142106 2482.261759 1984.340582 1841.582465 2040.074395 2228.334691 1782.324145 168.0239296 356.0210455 287.6781221 144.381895 1070.170948 328.1793256 636.6203531 4.07813e-08 364.3707372 1777.184431 2266.724165 1825.499228 2571.245872 1931.271517 2366.18586 1307.309944 1345.692701 3393.146696 1975.893784 911.7563708 2025.260597 287.2286979 363.1216178 1519.070782 1748.540619 150.5677961 1265.276443 5-hydroxy-1H-indole-3-carboxylic acid 3003.976103 2118.098947 530.8857317 309.0620231 238.1298651 311.3007674 1374.113952 588.930149 4.07813e-08 7866.860895 6615.107254 3425.848976 7887.755873 3880.948602 6064.359802 3099.871604 3806.834376 8061.36796 824.7656066 1409.954886 925.2588909 902.8744073 733.1041857 369.1891855 425.5693575 1262.946887 1132.581862 8021.595745 6571.735561 4278.932402 6404.958628 7327.111676 5613.081104 8369.359938 2699.356919 3279.575385 3770.71268 535.70552 914.5667689 478.6874065 541.0800025 1260.243177 307.0057442 776.689329 2184.55307 457.7735668 661.0087882 478.2678803 1306.957586 2218.529743 7926.177676 756.2630293 8121.309051 893.9004878 METHOXYVONE 298.1521707 108.4832551 522.8273416 383.5979573 588.8307493 233.4489185 309.8939636 4.07813e-08 4.07813e-08 48.56858752 72.9450809 4.07813e-08 4.07813e-08 77.60496118 59.47303436 4.07813e-08 4.07813e-08 4.07813e-08 6839.503667 7093.815991 3641.172535 4270.013374 5384.808286 6220.562258 4093.385786 5977.225049 5391.504738 238.2825136 136.9618579 95.38586765 4.07813e-08 448.592736 9.365262686 382.1862495 4.07813e-08 4.07813e-08 2886.615621 5298.794038 4244.390331 4465.828935 5347.975828 5735.449185 5284.951162 5426.615333 9068.966093 1842.607486 1772.483579 2295.853502 2248.874558 1980.260773 490.3770557 2785.505737 4.07813e-08 3064.375519 Methyl-L-NIO 13237.83875 11157.37063 13987.61437 8736.449976 10852.29675 12658.56874 11037.14116 19900.13473 15785.45075 6403.266241 5085.67549 4242.880786 6973.981074 3081.785751 3608.397675 1171.86178 1963.563652 5765.847996 18183.14721 16563.28871 15507.21558 17059.63942 19862.7176 18875.62048 15961.27517 17307.46153 20851.24 6543.658178 4740.098061 2785.476725 4766.683152 5836.787498 5030.466531 6341.737181 1717.110191 3129.574572 13538.39668 15407.27479 15355.24688 16949.37701 18004.30217 19734.08876 17446.92564 20898.75159 24664.77131 15136.40159 9420.34975 13196.31842 10705.94387 11889.13611 6865.77639 13654.3906 4245.0632 13810.92962 Octopamine (p-Hydroxyphenylethanolamine) 6139.007391 4928.073778 6760.533249 6231.053725 7159.619432 6692.206605 5792.996403 5972.724484 5752.090761 814.564431 517.9355894 219.7828953 1003.218116 290.3165779 392.9610288 322.2027214 237.9298333 399.3186779 10750.87113 10644.07088 6846.603724 9673.789079 11769.30708 12288.19722 9863.86364 14261.32248 15736.0332 192.3658857 488.6507582 622.4483593 403.6947105 545.8918245 459.707817 910.332058 336.5345314 290.3125776 5357.101166 7838.316294 6668.596569 8565.848696 10073.26848 12221.68475 12091.78318 13894.88948 18769.96364 10360.75401 8709.2746 7551.526549 7670.96068 6328.426484 579.9438812 8385.228839 440.7283472 9242.940517 Valiolone 982.9431741 1421.700516 1157.23719 872.1421932 1159.589246 1054.535495 705.594171 1708.108746 718.2778914 1864.120894 1655.887628 2570.185976 1874.941745 1681.624376 1924.678656 2606.545332 2322.154463 2618.774581 581.1294342 511.1361736 974.1400843 1025.953873 346.1383626 463.4466138 883.2541244 1011.767426 1057.815075 4868.110791 2728.805819 4275.512322 3611.890857 5664.933112 3773.186701 4722.725136 2699.982366 2573.117136 1072.955875 784.4671504 1109.731672 624.1920185 359.4290882 1052.082796 712.0565359 1508.208717 1158.706204 402.9973965 63.49166133 379.2610473 1763.57424 1377.165602 8177.938355 757.5092548 3314.831433 771.3156046 2,4-Hexadienyl butyrate 3714.435716 2696.336818 4915.448312 3493.317797 4026.202728 5074.56379 5918.167398 4552.71524 3511.686139 169.0478136 83.20455508 168.7810353 186.1009597 103.7974923 125.4193899 813.8933356 470.8532253 543.9486647 8979.514429 9170.878349 7878.68906 6795.421822 11639.09086 13881.98903 9987.46423 10667.56603 11143.90566 374.4372568 204.4977662 354.8083982 475.4810262 167.6409313 253.8080045 298.9094746 384.7991108 103.2967722 5539.705085 7610.537052 6784.676933 9529.673185 9189.676781 9074.08786 14218.16811 11211.47843 9863.882877 12342.7278 7326.16786 7855.722621 6065.157635 5136.248554 262.6859845 7568.837113 362.1641149 7464.807209 Mesifurane 2104.731498 2545.859157 2242.397819 2007.426358 2202.468258 1946.0578620000001 1798.939028 2374.573685 2358.920198 1438.772992 1373.838089 1348.107043 1114.119197 1291.527646 1136.050557 1642.035739 1448.64726 1575.122376 1805.114263 1927.695408 1656.191218 1492.794251 1585.704776 1404.300527 1974.152637 2268.818031 1726.870474 1241.796486 1470.426642 1773.232557 1454.827982 1358.754516 1640.626183 1291.662491 1457.12693 1601.65589 2014.800811 1689.029539 1586.08075 1488.136157 1978.211714 1895.559329 1594.645218 2201.030196 1665.356937 1886.384934 1834.672644 1698.616938 2101.861996 2048.60478 1416.074177 2131.731592 1424.867076 1919.924212 p-Aminobenzaldehyde 1560.240772 1397.663045 1606.537645 1657.568659 1671.573217 1418.511749 1281.94764 1529.8875 1573.509703 693.9017415 902.2717432 553.6970653 729.0914005 784.4270619 755.4185587 1229.820984 564.4190655 1155.317689 1043.932382 1099.187658 971.0743462 1405.016637 866.2686021 819.9134099 1371.011319 1146.633096 1075.518434 839.3821415 821.9190954 980.7903732 901.5313676 821.2406634 730.7703443 689.1185635 641.3777355 983.6472001 1342.273459 1120.28741 1372.141005 1071.790351 1024.949584 1102.030767 1251.677415 1432.424642 897.2048167 1476.108973 1234.197302 995.5046344 1251.385418 1256.009097 689.9137434 1317.684662 824.4430157 1633.438655 3'-Sialyllactosamine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65473.97717 41742.87507 29797.83973 75108.18989 23251.96058 38082.8392 24802.66195 26469.50915 51034.76644 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46952.24574 37883.55624 40144.70391 27150.78002 42426.20032 21711.05161 37807.60972 17186.54236 37438.95716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1063.256097 46193.14098 4.07813e-08 46383.53976 4.07813e-08 L-Threonine 323.4952232 659.0010432 404.2321392 362.7221002 369.509357 427.3967053 436.6092287 536.8082107 1650.944728 270.3449126 754.5741766 680.9302743 184.6379916 432.6168826 900.561475 870.3843364 1280.9611 237.3865878 113.562105 402.5602356 98.79883106 21.90295746 125.8839834 250.0489619 111.3707277 161.1970166 233.4945471 2610.600912 443.1309218 951.0446151 819.9555986 1287.161726 1383.990094 414.7998727 1720.209354 904.3449993 131.968266 144.5803672 124.2427978 281.6087999 209.6680418 4.07813e-08 527.7441684 180.2798094 4.07813e-08 393.3368768 342.1934968 978.265658 444.3201747 523.0270124 430.9282886 1126.153281 2183.063314 605.6053895 (Morpholinoimino)acetonitrile 1103.325759 818.2322362 1089.391302 569.8906043 1128.605531 693.1861794 832.4111141 499.4837098 1087.827082 457.8910707 445.9792742 337.5311509 312.050137 491.7523575 307.6582693 135.1836311 296.927428 318.4692027 847.0974745 581.3911311 590.3311426 860.3077698 756.9842506 754.7106239 644.8797264 1209.440502 902.0620494 497.0920153 354.6535518 591.8838726 358.0859041 435.1679181 214.5041897 348.681027 428.0659699 331.3003847 898.8530553 804.0553293 973.9397544 575.7364599 619.4500089 753.0291935 529.8560092 1110.788722 1166.566572 1010.123103 899.2326385 770.9379923 729.8767513 524.2662619 454.3147077 807.2894551 676.9639535 918.5745876 CHONDROSINE 148.2473714 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 167.6313678 4.07813e-08 4.07813e-08 11107.85046 12244.94242 12396.90176 11498.42159 10782.70153 9935.248401 6157.43801 5738.714318 8391.377827 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 77.28467341 4.07813e-08 4.07813e-08 135.3794952 10523.42106 10980.17961 10922.56638 9174.869889 16173.72331 15303.54535 12999.53476 7193.831247 8383.382962 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 119.8473383 13.83803724 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 292.3235642 13740.47329 4.07813e-08 12184.62669 151.4548295 2,6-Dihydroxynicotinate 1587.485089 760.9964791 1031.301151 629.4254692 779.592914 1102.007949 529.4317308 1266.471354 979.1143956 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23.33545332 4.07813e-08 4.07813e-08 17.94901085 4.07813e-08 1646.356244 1799.625367 1986.170447 1843.255931 2086.041457 1997.185441 1664.517399 1571.712759 2557.759806 28.57635062 72.35035263 67.07248414 4.07813e-08 78.11739678 4.07813e-08 25.88003214 4.07813e-08 20.35597759 1225.92112 1117.234214 1483.85863 1942.054581 1729.749073 1654.324292 1864.377986 2164.670093 2425.587825 3030.51665 1784.2196 1466.774843 859.7493157 1008.820254 4.07813e-08 1682.888053 4.07813e-08 2079.070606 (3Z)-2-Propylpent-3-enoic acid 1895.821829 1835.239676 2734.514782 2814.968483 1990.981536 1582.007028 1370.699673 2218.528171 2027.824599 331.4353292 351.6582199 508.6731622 377.7808674 378.6813894 383.5220499 354.2818086 224.7354903 504.5920937 2745.66128 2324.914671 3820.575139 2599.70143 2830.664206 2595.029279 2950.177018 4518.516078 3207.699495 670.6553527 661.9611112 448.0337532 540.05 603.6444885 677.0015666 773.3162099 342.8172217 449.1776162 2761.478017 3089.404771 3447.756482 3132.115076 2731.529215 3029.267674 2593.717652 5357.668109 3389.193981 1550.613064 1212.39802 1682.393105 1944.332599 2377.325853 640.8263031 2008.005931 579.5213917 2033.428002 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide 4.07813e-08 3651.135636 4.07813e-08 146.8619083 80.4920073 458.4943907 4.07813e-08 638.6441875 596.0358487 23522.89027 21133.12716 15572.58573 26258.41265 16566.44247 9689.730058 9201.871922 10396.27343 19495.05841 262.6408755 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.421969154 117.9467814 73.8209455 12397.26922 15711.605 20289.77812 11020.98064 29589.8139 16555.52876 15460.21716 6534.01519 10915.0225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 258.2407338 192.1900016 481.0874449 135.5947371 4.07813e-08 4.07813e-08 4.07813e-08 456.0523284 2125.255599 25858.43867 33.31190593 17152.43651 257.6295896 PHODiA-PA 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2505.1782240000002 901.7355746 4.07813e-08 12550.77197 4.07813e-08 17307.97929 3382.452426 1063.664742 2224.709543 17935.66063 2109.199016 6656.920551 907.3417687 4.07813e-08 227.1751148 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4064.362913 4.07813e-08 1298.079165 626.8488342 4.07813e-08 566.9793195 4.07813e-08 1233.647996 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8112.5262 288.9851748 4.07813e-08 4.07813e-08 2195.343571 349.1310012 4.07813e-08 4.07813e-08 Polyoxyethylene 40 monostearate 16416.83994 16057.88685 15594.62358 13621.98097 15873.70223 11957.50039 13301.52896 15020.02766 14020.43354 11799.04276 10729.37061 9775.524873 10022.42103 11841.9802 9090.864248 13313.76431 10285.84729 11353.50412 10073.61342 10842.31002 10899.75736 10467.52956 10180.91414 11250.82274 11318.04447 13353.7287 11491.24915 9432.07006 11954.32812 11975.23695 11350.87891 10005.18168 10889.96389 9191.961581 12584.45244 11223.95089 13014.02961 10172.26706 9935.517527 9898.010555 8533.657104 10641.10145 10523.18916 13924.61198 12560.51621 11970.22584 11909.22371 10699.27402 11273.67391 11922.28803 9842.176619 10298.90053 11219.09803 14678.52547 (Z,Z)-3,6-Dodecadien-1-ol 2670.510217 3006.923118 2910.189287 2736.966644 2727.775154 2354.077119 2019.682435 2762.356422 2543.860932 1627.720332 1709.880726 1579.308791 1759.210587 1720.38444 1199.867651 2380.193059 1607.604917 1945.971527 1490.140212 1790.234766 1092.389409 1580.464035 1312.326746 1214.228962 2050.509727 2010.516927 1866.578063 1408.036316 1762.159207 1791.152984 1856.643756 1538.202393 2043.571186 1973.135787 2200.12096 2047.513514 2103.306608 1459.509624 2038.957193 1135.80762 1897.509724 1632.418174 1802.000683 2359.791349 1954.379601 1670.37064 2000.977764 1433.609703 2179.723316 2153.708513 1533.685037 2110.787062 2146.128542 2563.073387 17-hydroxyandrostane-3-glucuronide 4.07813e-08 432.5555076 2516.917391 1285.062361 2275.100413 5401.42773 4133.45425 1680.633037 251.3680218 4.07813e-08 50.40146454 76.32409363 4.07813e-08 729.5554148 1734.549728 4.07813e-08 200.1665401 4.07813e-08 7071.755987 3532.831084 5021.423662 2575.577056 2217.865528 3797.698264 1949.174884 542.5833313 590.3683086 4.07813e-08 4.07813e-08 200.4874685 400.9801538 774.1541022 4.07813e-08 4.07813e-08 48.44792713 111.3115698 4351.870191 4.07813e-08 4619.844076 2994.250489 2860.801825 1917.884168 2042.403901 179.8129921 350.6830594 13845.1944 5517.653174 6397.299253 1494.849869 445.2223568 731.2494244 4758.990448 4.07813e-08 3411.057793 18-fluoro-octadecanoic acid 4.07813e-08 4.07813e-08 281.7358971 4.07813e-08 4.07813e-08 924.5619569 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3807.317446 589.0044239 5822.476344 3472.663755 3651.181868 7639.647554 2436.613768 379.3368492 2622.038663 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 220.2320036 633.2022955 2203.264919 5029.708883 1109.708582 5816.130866 5580.272448 573.1065795 13270.01115 9531.668039 2882.334617 440.7647092 4.07813e-08 4.07813e-08 4.07813e-08 1365.272773 4.07813e-08 130.6471355 4-Fluorocatechol 1997.143076 1996.185366 1637.975126 1652.151264 1837.208621 1230.948514 1199.079178 2368.995004 2003.761976 1018.753153 1255.457588 371.1983818 1035.740446 461.7674844 462.4240215 1627.924575 408.3998838 888.3172722 1123.401806 1359.177293 1140.031757 1133.364843 938.33938 977.4760191 1581.440355 1881.824502 1378.513522 1016.3987 1090.71994 989.9660727 701.7545835 980.6079835 1100.362476 986.8480045 783.6530359 1351.33504 1266.112341 1122.772944 1054.110142 1041.762145 1271.475109 1389.254111 1166.386252 1557.023539 1517.543119 1382.062582 895.9943212 1009.536746 1887.677666 1465.068847 1008.016671 1300.193528 1320.553125 1839.345015 MG(0:0/18:3(6Z,9Z,12Z)/0:0) 340.4208778 585.9771335 1177.323328 666.2635615 1567.671244 1171.153534 1009.655033 3483.496465 2128.592465 1923.468546 1995.407425 1265.378136 1463.87039 1141.278203 708.8066815 969.767548 2787.014181 1704.693947 1461.205092 1674.244728 778.7946111 595.0102584 1483.122435 2311.358657 492.7778291 1243.358842 855.3243699 830.4975613 610.2211984 780.1643322 639.818778 308.5457998 351.0211559 373.7654265 1932.593001 483.559356 4.07813e-08 812.8940051 484.3125238 1173.932081 668.962871 269.9195277 1386.096362 758.6766396 893.0090732 896.9593626 1201.513804 720.514336 4.07813e-08 146.7477516 4.07813e-08 313.8561508 1242.668552 627.79435 12-hydroxy-5,8,10-heptadecatrienoic acid 2156.035815 1987.923454 1880.615691 15016.54273 2759.214427 13293.78859 9270.228017 892.3550983 3259.776369 1314.837811 642.2744383 616.8051799 788.8413089 299.3131286 359.2655832 127.7654524 543.5567204 623.4923909 3410.725136 5124.209664 2798.922668 7752.136636 4291.014046 19483.66687 9961.953412 1659.978409 1899.834756 375.4394705 579.1939983 856.1276082 1001.947685 543.1354158 320.4665528 376.5564308 583.9114203 392.2998963 2464.570206 2970.220384 3035.523603 5223.882325 7734.264232 2579.685707 18572.44761 1840.745232 2028.271549 3650.264637 3196.342066 4224.6321 2855.405955 1293.660601 743.2671544 3065.58559 1041.504986 1554.608729 4-Methylcatechol 439.2688144 475.0458915 344.0478243 335.8520585 573.1440385 459.3920621 523.742084 429.862321 274.5051783 154.4944339 177.6273801 203.4133456 288.345488 335.209316 275.717396 225.4523716 356.3831338 265.2565999 305.8533 376.8823735 252.0716395 337.7555938 346.9600569 303.3560502 165.1878327 479.3519158 307.7808831 272.4618999 320.972718 240.8710053 402.6016701 404.2102706 212.2735195 282.0193476 221.108018 186.4857155 344.8909612 364.3608652 281.7195642 353.1867146 277.0882 371.4329906 438.3849041 371.7571162 403.8819087 331.8662157 400.0616829 293.8395942 202.5518083 349.0915409 142.2354132 344.3989839 285.7412417 474.7635393 (3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene 1799.261548 4.07813e-08 1294.907483 2199.849623 1094.427877 8728.867852 372.0566233 298.3021302 1105.332888 1706.054491 1394.359392 926.8742509 1513.776359 1424.519117 1270.539945 5876.630252 2789.301432 1051.918791 1832.868341 1572.030742 978.6927218 1253.10563 982.6996389 4530.674736 1166.614329 3032.732234 2032.053525 675.9675115 1277.571064 1842.491614 1837.801496 1027.808407 1172.412465 276.0300439 2356.625658 1655.014825 729.1119498 1491.502884 1153.075001 1379.997371 648.6759172 1055.734862 3029.418757 4013.169765 886.6995861 877.09085 2420.380002 2299.65752 238.8724077 544.0436689 740.2347933 1302.44707 1866.963569 2206.615131 Bovinic acid 8705.528651 18437.97234 7811.551514 12576.83087 8731.034524 6648.362534 10608.91515 10237.58734 6913.011636 8136.75687 6781.288059 9419.247786 6906.14043 8779.501614 10168.14904 9165.572762 5955.711215 9445.40079 5937.142561 4897.145818 6191.937467 9286.281748 6519.026005 6646.947726 6605.299688 13685.38557 6324.050923 5966.469145 5362.205742 7017.103544 9297.972801 5877.118878 6513.656124 7881.793629 123278.8483 7402.505714 7150.100678 5170.079499 6286.245559 5559.738711 6154.126691 7040.935117 6067.757468 6422.619289 7945.583876 17342.34342 4993.305253 6801.834794 6317.662279 5217.780343 4578.129341 14121.70145 10066.9648 6773.419043 Valeroyl Salicylate 15556.77022 17260.97694 16843.51995 18296.11222 16365.90158 14671.75945 17645.12977 14881.66622 15800.89875 11042.08242 11617.03404 9984.016348 12794.24407 12061.91252 9662.098963 13886.60022 8850.600508 11712.99384 10645.67336 12512.94974 11217.12794 12531.28916 12471.04396 12304.69415 10329.90631 12427.25104 11031.4104 10011.6099 12157.76353 13590.96721 14600.32384 12047.99568 10785.01061 9879.507458 12156.63355 12572.13794 13820.17191 11874.76651 13129.60229 12434.4266 10818.88173 13746.00279 11732.85737 13077.72169 14419.146 13545.7676 12078.76081 14918.72934 11989.13811 13141.28558 8634.234974 12831.42467 12972.91835 14904.07747 Linoleamide 33202.67073 32593.56638 31039.9101 37483.3538 29698.67476 25737.09216 34512.01059 25874.83313 26029.45102 30838.63833 33298.17431 21141.83272 27632.81511 43483.88698 18810.17925 45294.54387 29572.15791 30390.19437 19159.68961 20507.2573 19711.41941 22241.7163 20775.05108 22740.62972 22720.36165 26907.72724 23242.38236 17716.89836 20442.97047 26664.29239 28457.38703 21087.647 22202.95211 17578.4515 52612.33538 40550.30269 26833.37221 21351.7384 22239.51092 19392.24515 20003.98721 19947.5634 20210.7973 24815.85168 24467.43219 27752.78013 23855.44205 22195.79067 24900.46903 23018.93373 17396.3493 25096.38474 30855.7801 26331.22156 Tricosanoylglycine 192645.2042 194633.6161 183775.7422 192136.5052 202718.1583 181315.2577 203379.7374 157530.1007 156454.0056 152630.6666 150980.5642 126939.4313 136945.1486 165644.4516 121731.1244 169596.3003 117387.91 121703.534 129770.813 130107.6006 132816.0801 152911.3671 140086.0383 156294.8181 139196.4964 139319.4079 141597.8506 110759.8371 140492.1325 166829.1697 181335.6994 168907.8925 127285.911 107217.2552 138405.6433 158432.5897 159266.1116 146676.3839 161785.285 155908.2935 99917.52493 119120.5404 123732.6007 156951.8445 143732.2009 172567.3632 170908.107 173746.2024 140903.3718 144214.1107 105477.7207 146202.1108 160986.8638 168702.8989 N-isobutyl-2E,4Z-octadecadienoyl amine 693911.0591 649504.1945 666318.0956 662956.6667 635493.1483 555342.7504 583047.8799 602466.3185 615303.5227 483752.7699 469872.6685 399644.6922 435096.8464 508469.2296 369826.5967 589258.7892 429174.2097 475177.7588 441744.61 444737.7132 415981.1458 444068.9938 426588.8994 443558.594 486073.6048 547701.7185 539919.7222 381079.082 456424.0744 517671.8068 524640.6762 451949.2643 440888.0266 389802.4763 587824.3697 552389.0407 546075.1482 466015.1631 472288.14 433385.8002 418898.9216 440163.7187 452679.1039 568377.6408 513307.7087 526318.9382 474773.0781 493019.3249 504357.9483 486154.4707 383492.4934 511094.758 511305.0656 572715.3474 Pseudoephedrine 212245.6213 212403.1572 206044.924 207625.5669 204390.4341 182138.5929 188390.0849 190980.1262 193815.7733 134717.9649 128164.7479 124639.3001 133664.957 143242.2285 119592.9157 161827.9594 124498.5609 142611.2521 140488.0859 143034.923 139389.3097 142461.9996 138459.6717 143025.1292 154636.033 175450.4304 158351.424 121582.1308 140785.1495 159542.8399 158082.3497 143628.6564 137911.1737 122314.9248 146256.8003 159376.9495 165982.8598 154023.1496 149270.4842 140288.188 132537.7288 141826.6001 142833.355 173088.3349 157661.1654 173387.3615 161125.9065 154965.373 162101.7161 157833.181 120977.1007 160361.5676 158319.5616 187445.8581 Phytal 173750.1909 174375.541 169496.8607 160910.5884 164720.3767 138135.4969 156123.0911 148023.0293 148993.2976 116146.38 103269.3582 108441.8665 109613.3374 119026.073 105197.1163 137943.9984 103387.5842 110458.4889 123838.538 116623.3919 109269.0081 108882.828 108939.2157 120041.5805 122156.1398 134249.2935 131723.4424 92958.74175 112045.8255 125506.4699 130001.5151 114887.0806 120139.6233 95413.98588 126508.4598 133188.4206 132609.7609 123520.8238 114153.5561 115863.3071 100183.8642 109184.9489 105477.6309 137622.708 129568.1086 150474.5716 131498.7697 131201.8296 126134.7554 125745.0026 89645.06691 120688.6214 128575.7525 135839.7913 5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid 5385.858545 4969.20271 4574.939659 5293.405191 4477.395107 4015.98843 3763.104151 5087.448489 4943.72223 2970.712689 2456.921046 2799.248871 2401.9215 2668.513663 2210.999951 3944.551236 2941.505022 3283.115429 3216.43621 3615.251437 3389.711711 3335.366238 3037.636731 3094.073907 4517.262505 5151.82943 3535.763334 2560.725731 3133.074442 3062.107937 3129.758462 2873.552656 3152.3266 3131.61314 3186.268257 3155.625757 4120.512736 3517.314219 3749.153171 3041.248407 3519.775888 3477.636094 3740.617905 5369.167542 4379.532034 3819.418391 3453.416162 3489.618166 4592.400294 3869.403616 2511.171673 4181.592161 3787.503154 4480.331126 Isonicotineamide 215.0535541 85.62669297 306.5633074 243.6110743 470.499667 402.9623298 262.020171 83.11880072 241.209592 28.25284317 251.7391861 151.2071405 209.0738205 199.8215927 72.38752066 4.07813e-08 42.84582384 56.28940918 395.4371798 184.9283751 217.7867004 184.6239702 95.08430095 270.586042 4.07813e-08 522.170628 298.4708073 150.1326456 128.8359927 253.3633379 74.03373367 85.14010549 121.0059219 174.2207496 4.07813e-08 72.9633314 244.0785622 360.3265234 128.0310489 69.60485379 222.2445752 219.8059781 76.34919531 356.2883463 508.5674345 478.417416 238.6197095 269.864857 233.7584324 246.9233353 105.1268595 304.0933911 160.2353071 212.7764706 Gemcitabine 13240.3387 8586.01526 10446.15256 14056.86052 12605.89674 17576.47294 11256.91699 9739.553379 9561.549836 6340.665185 10976.62688 26487.45968 4641.986991 9015.943772 892.2075778 4871.654428 688.3720652 1237.076358 6299.480648 4563.032288 5657.260066 5370.019788 3515.507407 4561.176441 4327.482478 7895.156681 6487.235421 55.28746925 1178.921917 8001.179864 1586.232326 824.0590507 3296.113472 2823.517198 1755.250543 6249.943038 9107.657529 7863.837955 7348.853042 4480.894747 4317.829933 4298.748902 4935.819146 6354.598462 5064.471724 4212.721359 5290.906689 6738.518376 5127.377206 5861.542423 1637.169665 4881.068501 5159.004044 7470.443678 2-Pyridylacetaldehyde 328.5772026 312.7322061 307.7554561 247.6830578 326.8005418 106.7335009 158.1115217 297.0147323 313.8329279 279.7617152 117.1944955 156.9692739 146.2678887 196.126236 122.1313238 125.8739469 152.6635744 123.3327 296.9143406 549.7040572 196.243474 205.9745568 245.4870971 399.0927532 310.9307898 363.1295503 363.5395875 263.4010687 158.0055829 365.2767897 182.5059719 206.7636656 158.8695442 246.5389459 165.1271699 269.3902607 413.0470815 299.7107295 405.1206527 156.2308836 207.049307 286.2537321 370.363424 394.3767508 279.5467295 431.484469 479.065561 349.7884182 416.336665 175.7167313 232.6222068 427.7408411 180.2031375 63.72259279 Methyl o-methoxyhippuric acid 2049.317567 2258.735615 1976.289919 2149.681809 3385.95133 1577.257699 1134.064785 1875.246463 2598.34959 1213.814381 862.0809054 1749.632304 1356.351382 1324.836153 955.8903225 593.9005134 138.9373474 1017.592889 3071.379659 2861.360783 2450.685481 2410.335191 2055.338405 2564.49599 3039.137726 5965.91736 2965.591211 636.6901975 1212.739133 551.3926505 609.9960273 757.6774955 1401.445328 1557.968736 276.6647924 725.2887584 2537.388885 1995.654085 2713.811686 3079.585833 1695.437693 2122.625957 2270.029552 5737.777566 5405.239241 1311.570784 2353.612221 2046.659648 1650.041434 2919.068994 1191.745167 1511.034983 993.0241713 2008.316261 ZM 336372 3072.095058 3123.802204 1470.494606 2717.032472 891.6500625 2093.307522 3424.124604 6518.57859 12098.06289 11332.66554 11612.20725 11654.66287 12622.13958 14118.01189 9912.870363 6891.711943 30758.24601 16568.07328 4.07813e-08 280.0904286 1207.80086 4.07813e-08 4.07813e-08 123.822977 114.1672665 4.07813e-08 4.07813e-08 8902.590978 11485.37979 26401.05853 7440.679981 26849.58009 8535.570302 10928.90443 9735.185888 20454.80658 4.07813e-08 812.2560091 1226.410145 856.5175152 251.7875815 218.8761452 121.7492761 619.4968495 118.1298487 4.07813e-08 4049.613414 1703.547486 3093.235085 5174.57486 20995.62456 1329.783132 8314.957672 570.4399132 Arginyl-Asparagine 1214.762317 231.8444629 1626.160986 3068.47864 1220.688022 3995.371404 2144.698164 2144.602983 480.0423034 4.07813e-08 39.36943471 4.07813e-08 4.07813e-08 4.07813e-08 135.8064189 341.5180977 32.49027558 4.07813e-08 3045.22144 3664.714837 4617.467026 4347.318172 2393.54705 2685.920785 2752.00086 5621.473361 3845.615601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 58.70699986 39.32426132 127.3146402 39.33516754 4.07813e-08 903.8635649 5084.221559 6680.480451 3307.55994 3604.499607 2376.110829 1631.295936 3379.152701 1506.360771 2524.335097 2647.10562 2129.673572 109.8235113 1720.463388 42.79903364 1166.499593 4.07813e-08 2063.207063 Cinnamoylglycine 36964.08121 47996.97782 18718.61725 44103.2164 22177.57322 21160.52917 34022.84131 45477.4008 44263.21057 4358.628034 6203.913098 3583.145828 4121.531326 2624.09506 3370.512063 4641.6768 3601.552493 5329.354594 7023.019922 7557.981091 15849.25603 5996.174802 11395.42727 8194.115897 8636.108228 6446.349676 8245.748705 5067.259466 4264.895799 3395.11838 5730.944098 4354.906426 3271.818354 4195.198717 4140.358387 3397.308725 12959.81399 13153.04263 16576.41754 15732.0314 7031.054098 8789.867268 7101.099234 5403.302475 5586.803622 7914.881793 20294.44324 11417.8904 25372.01034 40324.55528 3244.46466 12800.31558 7458.835113 10137.93697 (5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate 1303.179316 359.473353 1571.682988 1301.621479 3889.55066 1878.197706 1766.887286 1865.809366 925.4626023 8.94022005 4.07813e-08 143.2716495 4.07813e-08 47.17172925 64.3043923 149.1366996 54.64377046 37.90776424 13598.14639 3912.775491 4663.521473 3280.822257 5693.763108 6579.096446 3337.046328 6956.97838 5377.06515 188.4524009 33.54113388 102.3651642 45.71315001 44.3668769 231.6337701 137.6877993 595.8296902 258.3706052 2993.221798 2774.79966 3390.165151 5783.290602 4253.566664 4541.86143 5406.183579 7319.86182 3908.697192 3826.686699 2752.851028 2669.71351 2884.848415 3762.169093 212.5460592 3180.707786 4.07813e-08 3294.31537 3-Hydroxystachydrine 10797.15131 10259.31194 9480.652639 9602.887946 8717.744857 7480.649684 7192.998334 10378.5626 10092.19339 4613.447246 4609.04062 4267.607599 4078.133991 4279.560747 3484.898586 5399.284898 4660.071969 5056.641005 7807.599511 6754.142362 13135.50752 9038.728511 17014.24344 6530.401206 7676.563643 8954.916839 9061.469271 4145.01075 4788.350505 4778.180282 4805.324232 4048.069662 4750.055469 4207.856763 5660.818035 5181.522195 7427.494766 10739.56069 11202.50821 18653.05738 13237.28708 11173.59844 14718.49803 9111.749317 7928.145712 6552.498899 5402.033029 6542.274459 9182.839953 8818.59879 4456.602634 8319.17741 5423.822854 8122.720067 D-2-Amino-hexano-6-lactam 2681.660068 2468.64184 2295.379842 2741.376158 2518.932956 2182.98216 2591.599824 2366.543557 2215.956184 1323.81696 1168.13607 1222.974586 1187.004015 1266.58629 1179.266413 1312.577322 1040.910031 1072.420586 1468.337212 1482.746615 1666.335508 1405.822051 1258.288818 1477.830908 1437.63881 1527.13208 1508.628166 1080.580483 1468.394002 1292.523757 1351.49107 1468.335213 1347.920952 1211.935204 1313.371547 1404.668222 1760.463702 1556.291102 1620.813374 1707.549048 1291.700879 1249.126856 1648.021369 1463.46454 1281.184849 1571.13547 1469.648921 1451.658298 1690.687365 2090.755736 1027.317122 1407.248589 1659.029543 1682.513792 L-Ascorbic acid-2-glucoside 375.0831551 144.2210257 116.1572655 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 134.6008163 256.1246094 11182.74563 11262.78936 11668.64877 12235.66966 10236.37775 8940.463203 6119.129738 1305.35869 8233.497314 129.2922158 4.07813e-08 4.07813e-08 4.07813e-08 151.3220213 4.07813e-08 91.05135111 4.07813e-08 4.07813e-08 10068.19841 9826.704869 9874.384751 6991.728622 14448.7105 14753.88327 14112.89984 4926.430613 7546.941078 93.21971015 4.07813e-08 86.09068004 71.42735848 301.4074759 88.21829756 243.513821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 187.7857625 92.32829701 14415.19367 4.07813e-08 11469.87302 97.40400927 Vanilloside 4.07813e-08 16850.49121 4.07813e-08 2081.479399 535.555559 5.352559314 7655.213857 4970.963126 697.6795603 18207.82205 29230.51688 9546.965048 17158.31988 10843.38795 12672.9701 8338.572673 15203.59116 7073.941619 139.5660564 1.190382414 149.7362649 0.001313151 148.8483266 67.48908987 112.7089523 133.901324 346.4760916 4503.387292 11481.94623 25548.62979 8611.330547 26417.63958 12098.36971 20607.6705 7344.858065 3953.151128 1758.631962 273.915616 96.48540025 4.663432705 78.01322147 67.51309036 2.955098411 1304.806813 208.4695203 4.07813e-08 1106.021806 2539.569527 5075.352003 11802.42403 13166.88965 4659.835396 15746.56413 8074.079547 (-)-Pellotine 7412.436092 4492.309157 6445.518569 4516.708665 5965.076343 6026.896458 6160.790033 8065.969772 6089.030759 1618.721296 1456.618141 1138.63243 1424.300726 1414.967667 1202.769881 2108.046745 1545.996404 1568.384317 15453.24997 11007.3397 11198.54553 11247.18743 11449.88477 12132.0351 11967.85103 17280.09684 16376.84052 1438.303076 1436.306171 1522.206801 1562.408744 1493.516179 1333.397593 1261.065146 1639.291831 1581.769437 8718.355857 8445.830663 9620.027722 10695.99574 11421.22144 11066.22254 12417.10768 16020.26938 11553.7644 10591.51874 8588.176205 9208.893617 9816.009215 7238.653201 1322.48117 10344.26082 2036.288975 8767.084145 Tyrosyl-Leucine 38086.80652 38098.64654 46989.37125 64282.50863 51723.96517 39746.01671 45848.31815 37646.8884 35330.8888 17863.4641 18521.08981 22848.84104 19805.94603 18327.10215 13418.65564 13998.40459 12991.08598 12992.67752 61770.97477 55362.01773 56344.47784 53911.73659 61497.48724 65493.51589 62312.65919 64147.00553 68397.88179 14825.20842 16362.77528 29586.45543 15500.49984 26799.13325 18923.57459 20245.10477 11584.09846 20041.70575 42939.86154 59567.18625 48939.34247 63634.66988 56966.53117 61075.59916 58147.83132 64650.90734 78090.86037 43267.27554 34437.09448 42811.23246 44757.83606 48933.5521 25177.24472 40739.93146 20760.79477 41944.87817 Glutarylcarnitine 1094.481109 837.239357 1906.983937 2050.25393 2490.146234 2222.781433 3173.497879 2227.685454 754.3981591 1182.496509 976.5937448 1088.497783 1109.125213 984.4805174 970.0281074 110.5724854 190.6335059 195.6210157 4508.28918 9050.146167 2594.482907 4202.606181 11058.3039 10382.71473 6598.47522 4094.674321 8484.115836 1025.546187 835.047021 1107.084655 187.6210554 1836.781203 1209.268058 1274.370723 254.5997651 285.6758823 3624.212349 4384.715085 1936.56873 4647.801713 4986.854265 7509.665251 8977.363107 4294.541308 4988.927365 5194.199104 2712.259677 3726.171685 2348.983607 1122.29688 2009.766969 3017.49157 753.3030894 5674.707494 Demethylmethoxsalen 36292.08422 33225.25932 32288.49449 31467.09052 30720.38575 26755.43998 26286.28032 31553.8946 30443.10355 19545.33785 19162.61534 18250.41033 19273.18381 20907.06354 16253.41615 28573.99313 19900.81547 23192.12068 20333.84869 21253.62053 19031.4526 20951.88575 19028.57729 20893.3105 25526.14261 26235.07686 24754.84899 17970.11019 21439.88668 22568.97221 23887.19389 19869.34659 22838.37147 17921.94839 23445.40142 24484.93091 25430.00272 20408.14341 22063.38064 20174.07253 20127.2625 20816.11438 23402.89237 25354.93036 23998.31938 24493.8842 23129.16782 22227.67239 25452.09289 22215.35587 16814.35286 23592.57755 25298.73325 28117.57073 N-(3-oxo-pentanoyl)-homoserine lactone 4168.666783 7991.293498 3601.63793 7529.253374 7409.061369 1451.1390940000001 2937.163735 4299.680618 2514.854066 7114.174001 6905.979998 8668.757942 7480.925629 7083.535938 4501.67522 4564.825023 4383.331023 5146.718461 1393.819943 679.836661 2974.51041 1913.392368 925.4355367 4.07813e-08 2190.130119 2248.041457 218.6825356 5886.602927 6884.867689 9665.054545 5118.89836 8869.638099 7170.973747 7082.422108 4788.441171 5864.287001 9070.185858 2597.91057 5297.488122 380.594396 557.0120596 2225.652051 1.964868106 2045.787256 498.2335392 4.07813e-08 249.280575 2244.400825 3098.379703 4929.357221 8859.156426 3566.97061 7187.118907 903.7416576 Elaidic acid 195473.1446 188044.5503 172671.1312 171659.9263 157671.1829 130947.4568 126866.8942 195085.8455 192312.261 114965.4479 107734.8632 100357.7366 98132.42681 101087.6682 79268.0512 162577.9822 117027.335 132027.2719 116317.1638 119921.2691 103495.836 102348.9776 91554.54697 92763.9409 147805.1392 160266.2092 142492.0412 94979.89501 112784.7589 110595.42 107505.7969 89319.43081 128777.0208 112497.6162 135475.4338 138441.9164 132640.8196 106788.4295 106150.5032 88212.20385 122826.0671 127550.8975 133311.1007 150804.5115 137147.436 126106.8825 114688.8857 101809.0126 155175.6244 144077.0485 102926.5945 141913.1102 139922.034 156449.9137 Erinapyrone B 2375.136638 1983.419136 2524.673925 1773.79468 1899.880907 1670.544089 1599.767512 2197.830951 2175.992978 1267.722516 1199.907818 1242.908151 1290.615985 1468.253208 1125.163141 1702.936925 1345.048127 1551.968434 1452.224275 1500.348668 1289.1963 1338.158136 1354.244009 1318.516843 1911.309753 1998.693966 1526.299825 1218.657361 1450.078863 1455.963709 1419.571092 1138.168165 1585.999703 1336.790402 1477.829435 1481.262142 1602.752206 1596.953961 1463.922674 1226.057119 1238.072925 1536.847395 1536.045291 1603.276676 1391.844084 1636.534124 1547.969638 1410.636235 1853.551394 1638.260642 1210.707521 1687.889436 1538.599576 1934.599508 ETHYLNOREPINEPHRINE 3985.766141 3391.437975 3402.229474 2263.467962 2524.946468 3235.908369 3368.354272 4298.555622 4114.026635 1123.556853 1400.067462 990.6239867 1264.809257 660.0597604 1262.806814 544.4918158 883.6683084 1178.469718 8548.693202 7952.063392 7051.914895 6170.330039 7841.089106 7447.693396 7682.679363 9660.797277 8786.937261 1587.795397 1979.06379 988.2350861 1364.412449 1934.88055 873.2027116 2247.900825 815.5958983 798.8031435 6272.544742 6552.631948 6312.490079 6957.252687 6718.64103 7673.041657 7104.520599 8560.948772 10270.43149 5887.496203 4713.759005 6047.780041 6203.87367 5489.477437 1894.911299 6541.77857 1512.505098 5950.226812 4-Oxo-4-(3-pyridyl)-butanoic acid 5799.060451 5119.564529 5215.465193 4984.775894 4941.487708 5214.338757 5459.764686 4908.05809 4764.291444 2184.351728 2208.42355 1903.483165 2132.195143 1413.136314 1491.149604 857.1812242 854.4689989 1930.83767 8568.536854 8148.429907 8328.522648 8213.19795 8351.554356 8092.588208 7258.979068 10678.51544 9409.734909 1488.759008 2094.282523 1426.078498 1707.570602 2387.304826 2170.139405 2077.497233 898.3965644 1439.558103 6585.863739 7635.682441 7083.167284 7803.108738 7394.893373 8724.240048 7879.503936 10420.93848 10321.65821 7694.01816 6135.130312 6881.95211 5973.896059 7500.597876 2380.467726 6623.181913 2044.824591 7223.526904 Promacyl 14908.49741 1700.940109 8334.955843 5658.604614 10499.51441 3313.98944 1106.916159 7310.522058 2198.101638 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4256.847058 4800.436077 2659.827349 5161.40298 3598.160574 206.3157985 3804.906279 415.8308756 2096.871791 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2837.256968 5029.472183 5909.056468 2903.496204 6784.518018 4510.592647 438.0494689 582.9903138 2060.901302 4.07813e-08 178.4745012 3181.551983 3291.235427 1450.786063 4.07813e-08 3154.121104 4.07813e-08 814.54796 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone 1339.52606 1411.724799 1312.45769 1239.262685 1229.443591 998.6408307 1043.838832 1504.440702 1293.160482 911.2194914 849.6174855 758.4458031 753.4978269 767.5137023 601.8146537 1160.93076 725.4671164 1080.243484 969.4746621 866.8074853 970.2782289 887.1355989 840.1892791 832.8604517 1126.248415 1429.899425 1041.929538 664.7975172 870.3182036 916.2557425 914.6864351 674.8340256 983.9112244 858.6018674 875.2859931 998.3526525 1043.44553 882.9641488 893.9926162 744.4901528 973.4043085 983.8550908 905.5508505 1209.904144 964.3142194 1167.101825 1069.683174 889.1498076 1099.633266 1098.381785 601.0081628 1025.925108 952.1929409 1076.621685 Panaquinquecol 7 3697.568407 4217.990708 4256.977595 3449.539129 3442.524333 3085.090451 3369.228203 3512.982087 3806.068356 2192.070508 1869.863795 2343.383783 1883.712837 2159.329918 1535.041229 2643.462273 2158.081341 2213.70685 2251.719958 3185.654611 2350.651078 2681.765532 3119.501872 3192.166455 2763.096161 3483.241679 2695.005203 1771.901743 2176.410481 2598.857582 2388.407132 1449.594163 2096.059654 1929.218311 2941.041722 2473.587233 3074.561228 2423.749449 2633.690429 2873.680494 2640.367247 2286.034104 2943.912646 4334.455904 3660.323957 3548.665725 2836.827761 2894.531447 2316.924274 2375.293052 1437.033377 2428.564444 2869.33724 3578.691163 5-Nitro-ortho-anisidine 1105.900067 629.2631237 1210.074521 981.2977044 1089.311087 1166.520942 848.3177076 753.3830828 659.1113452 46.76597303 58.16871015 109.9294608 91.11355979 106.1210953 4.07813e-08 221.8189243 59.25991142 54.78490966 1193.060593 1546.060639 1013.452201 1425.635457 1267.96421 1386.064732 1334.304947 1218.973929 2119.681404 12.25586266 99.08261189 78.03091287 193.0945602 108.153843 228.9251901 53.11377698 168.5896616 68.05332913 824.2482514 1126.715111 1232.133868 1588.692563 1184.854239 1416.133877 1627.227347 1445.221181 2015.050482 1486.251693 954.7658089 1216.839176 756.2224729 576.1537271 136.8613217 1068.009534 80.38016787 1794.627561 Isoleucyl-Gamma-glutamate 3117.176357 4159.24584 610.7091812 1317.159004 978.1408355 1523.827585 3411.763012 3146.859355 3009.354188 9218.440607 7222.252491 4732.235676 6890.153049 3196.499551 8973.914268 3279.519923 4595.717806 6076.204999 1609.953286 2381.529874 2076.149827 1983.331075 2349.217342 2753.286743 1082.331048 2701.117753 3153.865729 6556.869035 6398.2979 2288.609649 5618.78842 6458.714417 4617.333528 7515.25568 4258.546625 3001.627204 3246.879501 2947.290923 2272.75711 767.3959833 1646.85711 2216.130033 2087.758645 2730.507037 3118.796862 1727.848244 2174.580548 2205.556351 3181.54958 3576.742356 7090.599818 2046.183661 7045.053777 2043.138453 Oxomethylphenidate 11201.60829 7363.244112 11696.58561 9039.810158 12445.34804 10832.32094 12269.99644 9873.885331 7554.003924 2736.310165 2123.136218 1541.866955 2226.664184 1759.098393 1515.374467 1047.515891 1548.257357 2414.954379 21084.79533 22184.63265 14477.386 19819.4772 23931.31798 22649.92458 21182.48329 25713.56919 27143.65088 1169.977813 788.8259839 1186.273408 1042.845948 1502.46581 1555.504349 1483.944641 825.6070128 1516.590382 15059.74779 18185.7719 13121.0503 15914.88509 22129.14939 20664.98783 20477.69827 23454.09801 26593.94632 20923.27432 15642.97112 15344.94635 12902.15426 9514.870857 2329.31256 14926.20848 1353.626643 16982.73063 N-Carboxytocainide 11272.38121 20641.78974 12353.00926 15147.97616 15802.18389 8719.240239 12875.60059 22995.40939 14935.55402 20673.68787 23053.44474 21883.83453 20685.18951 18294.70839 14541.84325 20073.85944 15616.72881 14266.86566 9218.604454 5672.186756 13578.65473 9423.073948 10380.84202 6562.617132 9727.975454 15623.76243 7522.759832 19995.77169 19496.55034 29027.59756 19036.06497 26522.27647 22700.46666 22133.83956 19605.86614 22513.43072 16813.66696 9465.407981 15954.95303 9595.222694 8509.591506 14326.56707 5836.552032 15548.82705 12138.92541 3985.014142 4104.483114 11172.65749 13045.858 17274.37444 23395.21829 13035.62284 22781.81946 10597.49695 N-Methylpelletierine 3065.624951 3293.747085 10114.93873 2739.717943 2947.833076 2717.642116 3476.39934 4153.325281 4323.130356 4.07813e-08 32.60441857 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 941.3247239 204.9846281 7931.178719 845.1613955 1762.870031 784.9593646 2626.87188 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.20981172 4.07813e-08 1305.757111 2489.468092 6506.653437 4544.662077 1020.972806 574.8193279 2659.656963 4.07813e-08 4.07813e-08 4.07813e-08 70.5992653 3162.606316 4970.82824 2770.725383 4.07813e-08 2830.108606 4.07813e-08 2628.732436 7-Methylguanosine 2048.82511 6439.921642 944.3334084 652.0904692 1204.219022 1601.032724 3745.956447 1796.316787 173.8011138 16575.57894 15523.28293 8612.218475 16449.82114 7616.407012 10365.33853 6301.738724 9561.883541 12024.05134 1791.898914 816.9682979 1844.457897 2193.422335 1012.306159 1434.064945 966.6759875 1947.194299 2024.699571 10164.01527 11311.95077 9160.96096 9660.678625 14275.61273 9185.169075 14041.05458 4857.211235 7283.293147 5129.131281 1301.867294 1119.479093 1395.562348 1130.889502 1572.577891 973.2586413 1165.866373 1158.055619 833.9135541 1028.575777 1399.668622 1493.768646 4025.015767 15830.9482 1948.287384 12956.88221 4.07813e-08 Isocarboxazid 9563.681673 6801.313374 7901.313509 7431.122064 8611.28256 7222.523839 6070.00242 9204.115121 6430.484959 4078.149596 3448.657087 3371.532637 4248.236859 3179.506198 2670.297904 2363.57877 2322.647032 3465.958323 14724.22694 12133.14384 13410.50646 12639.89288 11586.27086 9132.14763 10864.39607 17195.61454 12320.52523 3768.179002 4551.666084 3472.188314 3617.798178 4707.478534 3747.60669 5597.116377 2293.317365 3233.729296 13051.95162 10642.95066 12163.83599 10555.60625 13111.87744 13190.04042 9472.231544 16989.04383 20403.95808 8516.006896 6298.481251 8261.137673 8620.923384 7272.001702 5369.600948 8644.675725 3503.103335 8368.084799 Streptobiosamine 720.4048786 12958.45107 892.4984127 859.6887358 742.6344836 4.07813e-08 3065.537794 2917.992917 845.7628743 7223.220515 1956.876156 2580.394693 7595.100862 5548.435059 7359.510996 6003.395882 7710.401744 7338.496509 4.07813e-08 4.07813e-08 4.07813e-08 302.6361647 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12092.19551 10743.5123 7730.178759 14978.87706 8371.190898 13442.15322 8458.713002 14470.63864 10535.17537 5410.380212 268.1123984 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 199.3732755 3897.116376 2659.880432 11653.12272 630.7371962 5053.14291 2499.290754 Sylvopinol 6765.156688 6105.722652 4855.45631 4362.916419 4748.031099 4736.383092 5524.309301 4998.654581 5134.762758 6807.171533 8476.939643 7734.50762 6089.252062 5665.082481 7351.93122 7310.145326 3579.099229 6037.915076 5599.049143 5816.854022 5020.24127 5361.311332 5818.98502 6174.869351 5424.360806 6948.538083 7088.598577 5228.504467 5821.538403 7141.759943 5094.151235 5829.750408 6791.253087 5595.868494 5209.176734 5997.56483 7254.02124 6783.732181 4708.914264 5048.490143 5255.359827 4314.825584 6169.713616 7413.755294 7195.24593 6283.080864 4320.418806 4611.775054 5356.378514 5300.534465 4096.635564 5407.355378 5718.321318 5688.133182 Cardiogenol C 11720.98038 8253.050973 7670.545846 4319.673985 5991.857865 7390.343478 8978.812101 10679.51967 9136.682469 4610.00712 3891.619567 2326.849846 4466.513668 1756.496729 3982.873034 1076.041492 2007.020551 4878.556868 13076.439 10738.08212 10706.12911 11259.05502 11365.16873 12088.38373 11387.41507 14483.30508 12541.45107 3185.551025 3650.613654 2029.327357 2749.984071 4094.227571 3478.212932 4540.344709 1171.785107 1870.84621 9494.746721 10781.1838 10140.89183 11022.34967 9999.490895 11876.81897 9842.823384 14567.07078 16677.98955 8139.701816 6246.586012 9207.083237 8076.160304 7664.037689 4781.592664 8903.544945 3517.158801 7725.976391 8-Isoquinoline methanamine (hydrochloride) 2094.225319 2199.112715 3674.565821 4972.404299 5105.850737 3191.800922 2820.342625 1760.427665 1215.517051 717.1936756 782.8374612 2059.395556 535.6510351 1940.290019 626.8697196 1360.888989 378.4146824 545.8612747 2802.572514 2689.306597 2661.879701 2892.346258 3469.49648 2976.234078 2790.649063 3241.815199 3206.274586 644.3611609 1013.901739 1502.142159 840.1010863 1049.6765 1789.674485 945.2801584 1087.252963 1383.234294 2303.827754 2602.026275 2544.793489 2755.516026 2816.91422 2849.900642 2700.355587 3167.573955 3799.778459 2097.496192 1726.672364 1939.701295 1561.2178 1886.908379 866.0149926 1721.806566 713.0259129 2014.466123 N-Acetoxy-4-aminobiphenyl 817.2990452 1067.059101 1006.841346 329.9477401 1214.989219 1037.666147 515.1955671 1460.833125 758.7655456 2.702188635 15.03415379 4.949214679 13.88348953 4.07813e-08 2.114439533 4.07813e-08 0.782593059 0.677938287 2155.412167 2390.054101 2558.425278 1982.071121 1877.978302 2402.06175 2380.483243 3379.974253 1936.647722 159.0164653 0.682169091 2.325327682 227.0523688 1.447391379 4.07813e-08 28.89138991 4.07813e-08 218.6781168 2962.171271 1601.33926 1341.643831 2051.359623 2439.445646 2061.739556 2758.066415 3997.446602 1875.315357 2687.975802 740.8792314 1776.447048 1598.086459 1921.890294 161.8511798 1571.416544 28.29665517 2037.202101 PS(14:1(9Z)/0:0) 4525.388982 1938.475772 3350.00044 652.8803618 1026.268478 852.4697109 2417.45821 4849.685277 6155.834556 4032.065594 4416.486168 2926.521767 5141.436081 3276.558179 3089.124038 1245.2924 3175.87395 3301.781828 4.07813e-08 213.6013557 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1327.850327 3634.242431 255.057438 2739.277899 2602.835913 3665.706609 3338.980225 5231.802235 5172.420939 2807.436007 2252.306972 3219.267471 12395.56095 4.07813e-08 998.5087601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1922.941559 573.4507233 695.2063333 565.7453688 1619.877618 2702.759877 3981.637831 3897.063275 1883.691973 2705.874947 2025.557131 Furoparadine 729.8879224 934.4854551 2317.828359 3391.938058 3244.603037 1653.951586 1283.627555 340.6899255 4.07813e-08 282.2302876 565.2161942 2097.840794 209.3585233 2092.522418 443.8639278 1365.907 270.8728189 123.0030069 2278.40383 2420.040684 1949.328759 2221.662128 3277.97735 2390.074654 1993.98807 2597.731591 2710.248793 1286.282776 1099.796338 2824.52901 894.6907014 1905.220076 2306.842869 938.1842811 929.4224101 1538.491711 1803.280397 2243.190347 2023.848518 2123.702236 2124.277936 2517.621891 1464.040015 1861.778881 2030.254189 1332.571687 1429.94018 1652.417966 1211.777727 1530.977097 1036.743419 1216.903784 2039.19163 1962.792796 EXALAMIDE 5138.229369 2314.310405 4276.322755 3429.693579 4374.276032 4156.987073 4815.988617 5634.511564 4111.595941 377.6937852 221.5444313 282.1528852 183.7357417 506.9931063 290.2592855 1377.532116 402.8119675 301.7483721 7075.05325 10694.17034 3055.288116 6778.908468 11474.43651 14095.11032 10426.52381 10750.49224 14648.00546 158.9677547 636.69435 737.0348189 719.9651363 156.7223006 78.1530045 250.8508867 650.237141 696.9393741 5870.972939 6581.29138 3191.415612 6452.650373 7762.076768 8485.730345 14182.34856 9713.080986 11838.86006 9083.154179 7109.516752 5574.217064 3958.160251 1919.675561 516.6033563 4918.883871 773.6112751 8548.586222 2-Hydroxymethylropivacaine 10700.45811 6710.513556 7845.522371 5100.686078 6149.777427 12951.07484 8178.135824 4539.792679 15792.53164 1257.685675 2045.177963 1477.247146 1804.160771 1787.913284 982.5141754 478.1509114 3302.691851 2907.686143 10151.453 9544.809392 8014.380501 11206.67087 12456.46403 9264.404901 7462.036654 1549.551563 4955.407522 782.7101897 1280.291829 1937.565172 651.986135 2004.452727 1771.966116 1171.298158 689.445799 479.080576 5952.141362 9915.456392 8623.870808 9853.545593 13047.36996 11041.89346 8617.304587 1939.827885 8131.483653 9416.947042 7619.311594 7264.275045 6267.417818 4821.673576 2374.354667 10049.70499 1289.222886 2185.643828 Sitagliptin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.974519736 4.07813e-08 4.07813e-08 4.07813e-08 3810.011839 2574.179482 2262.106643 2927.31169 2272.805037 2915.469818 2053.265819 6475.679804 652.1681242 4.07813e-08 249.8256398 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4421.240824 2937.624228 3749.219648 2591.260025 5733.258699 3323.454395 2938.473955 2609.955837 2695.26635 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 261.9373684 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11691.12312 4.07813e-08 4288.967085 257.9125952 (1E)-5-hydroxy-1-(4-methoxyphenyl)pent-1-en-3-one 1245.915609 1223.411083 1485.206497 1647.941638 1325.294685 1093.35031 1170.262216 1163.346973 1049.925899 422.2530422 284.1982744 191.6162555 159.1796895 87.47291679 148.6475105 148.143439 94.26942178 105.3846885 1855.995376 3015.510456 2387.082257 2032.270906 2194.374976 2471.884252 2302.920744 2748.973841 2373.543242 105.7145818 63.50249077 104.9103216 4.07813e-08 218.1065212 311.4344892 155.8570122 172.8678845 359.8937782 1879.213528 2150.976783 1753.710152 2133.244268 2072.63539 2435.918879 2087.821882 2478.717587 3815.673828 3005.517916 2037.035954 2651.242301 1665.548433 1817.468938 67.81082226 2064.804658 130.9623982 2538.81711 10-Acetyl-3,7-dihydroxyphenoxazine 4667.748206 5487.209766 6086.755062 10904.15866 12292.45049 5675.807589 5097.62478 2970.634607 2605.241536 3776.652314 5053.844232 6525.165759 4550.123815 5751.820646 3883.797671 5501.412362 2408.421323 2622.243141 3938.256407 5055.04121 4415.870889 5309.089467 7654.785852 3790.9435 5436.27419 4484.754839 6265.283331 5864.877211 4165.600561 5324.639101 4035.850032 5075.887172 6631.673964 4793.259502 3635.997389 5542.897202 5258.777786 3746.030322 4180.558135 4833.841625 4229.975628 7910.904891 3323.166111 4439.323952 5798.366725 3175.7252 2865.887645 3852.202171 4769.476165 5388.369663 2779.877314 5069.719161 5336.695891 4588.786677 1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone 4945.279154 3011.503138 3726.403652 3368.069958 3339.374974 3901.043734 3594.162105 2710.923394 2494.920399 777.2067162 789.9788807 966.2605608 1057.003519 1201.468991 1214.137386 1256.238989 687.8719105 940.3107281 9391.62009 5355.275095 17230.00707 7149.708994 5050.346515 5916.934723 5088.07224 12112.02398 5703.778356 3888.635044 1898.77492 2644.984941 2997.595076 3535.341343 1910.859034 4664.996978 1815.730393 1743.19304 8681.123387 7005.890559 9969.524884 7405.304263 6936.730738 5547.682932 4221.597048 10189.27097 13450.87657 4039.570134 3020.015827 7039.245993 7192.369588 8601.60739 3982.700777 5124.695912 2842.238589 4559.868588 Obtusifolin 2-glucoside 4.07813e-08 4.07813e-08 342.9202656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8517.326799 13615.76071 12504.34792 6982.977132 14013.59333 11044.76894 5054.042423 14525.31981 11326.05424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5393.883076 15877.18951 21569.89708 13184.20228 17945.30685 15723.45975 8403.86519 13544.81488 2373.404011 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7894.194244 4.07813e-08 11865.09794 4.07813e-08 8-Nonen-3-one 3128.360306 2320.142374 2630.202235 2411.527722 2272.774828 2542.046933 2894.257708 2440.231325 2126.334762 1344.858254 1529.459353 1324.072816 1390.253214 1476.539145 1273.779357 1989.295853 1582.010786 1563.684355 1854.909577 2119.749753 2208.392264 2390.355734 2317.668166 1918.570446 2140.274747 2596.068422 2276.581834 1183.702261 1320.246793 1742.364228 1653.80775 1577.078729 1533.253242 1182.797608 2337.114587 1527.474794 2336.302577 2454.314386 2436.419782 2248.099984 2617.427423 1955.778682 1997.611487 2161.452156 2149.954514 2573.789875 1816.434542 2297.737596 1852.109978 1597.119143 1557.119159 1616.808332 2724.756563 2318.891844 L-Hexanoylcarnitine 3203.057161 2250.117142 2474.625379 2122.902152 3082.472665 3001.245774 4569.566439 3155.216685 1786.95877 328.7881828 291.0430578 214.4077759 459.1126111 84.1435401 322.9030516 234.2746323 4.07813e-08 79.25483114 1477.785949 5453.45643 755.110718 2226.301202 6291.409544 7651.780427 4258.829921 3170.023173 5541.38461 4.07813e-08 96.18310089 330.5362316 90.62984809 218.6146443 142.2670254 76.53631052 76.95240507 268.82735 1807.920491 3109.774111 634.4761505 1223.788987 2327.458814 3858.175517 7342.639667 2849.596268 3614.301399 5540.621102 3585.564329 2051.019748 936.6976527 711.8201329 80.76757638 1241.881344 339.5510031 4935.187066 p-Mentha-1,3,5,8-tetraene 19607.1967 13112.04928 16726.17674 15303.77737 17522.59387 19799.66708 21365.87391 15770.08183 16983.15029 6115.760542 6221.309618 4489.425195 5492.855632 4806.373509 5584.142743 9036.732054 6020.298624 5556.847769 19739.32462 18755.01129 17226.59884 19151.59202 20602.23734 20400.70683 18973.93224 20447.74681 19856.4993 5570.110712 5337.842749 6154.617349 4936.846372 6557.185786 5999.857142 5562.751097 5350.923689 5332.89085 16618.35979 17437.12972 17439.52703 17575.55381 19046.6156 19654.75719 19586.62168 20500.57906 21531.61685 17113.53016 14666.46862 18903.81806 15324.85788 13637.74685 9169.033064 16136.34636 14515.80324 20836.14891 Platyphylline 1531.85791 633.5762067 1427.225089 1370.163613 1616.518199 705.5718401 692.2702203 455.9519164 218.3605618 4.07813e-08 122.8847379 468.6748365 4.07813e-08 48.9655901 4.07813e-08 108.377722 4.07813e-08 4.07813e-08 3489.1868 2608.648927 1728.02437 2286.479533 2070.656561 2188.102756 2068.246697 2219.293555 2633.524733 296.7458134 345.2859745 501.8143541 4.07813e-08 596.9206561 269.7058317 632.6789622 84.41012345 322.4412311 1450.60772 1164.792682 2236.954979 1727.694882 1705.505911 2287.036294 1265.059851 846.106677 1841.157424 327.2536485 513.4562623 1418.878705 1597.920578 4.07813e-08 244.1133501 1578.67921 4.07813e-08 2192.983208 a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol 2404.520568 2202.53255 2167.397481 1434.531173 2150.703431 2335.498636 2428.968338 1120.817385 1354.780676 429.1845241 201.6370139 74.59739915 188.9765976 302.2299696 538.4326559 4.07813e-08 222.3277716 177.4543663 5488.675399 5468.200475 4621.591829 4786.340007 5709.286846 6095.091901 5685.02327 5867.652998 5557.197639 210.3430127 345.4450347 353.9058473 90.21298214 704.2137785 513.5349354 573.3960444 92.34591426 340.1215873 3900.1426 4747.983574 3845.564761 5744.352319 5282.696971 5413.319151 6065.467261 5398.159442 7478.625279 4387.45927 3736.186692 3935.855444 3563.605946 2936.158594 818.038719 3767.98264 524.4552534 4199.240048 Thiobenzamide 4954.266352 2906.517214 5082.667586 2141.927556 4136.751851 6411.438711 5817.348341 4211.770843 5305.126057 2.497958539 0.927700736 2.725227144 1.407534142 1.322213919 2.995559802 3.647026336 0.429301934 3.213756608 2516.553579 4725.441328 3421.951835 2298.458531 6969.24583 5763.955102 2142.657582 2229.376656 6422.666985 1.62513313 4.157019226 2.888569493 1.432156017 3.299757632 2.171796123 1.314271773 2.693513312 5.117948914 544.7788854 3193.421563 2260.00077 6511.268767 3331.7088 2785.30048 7621.856092 1714.665807 1430.186566 3108.699689 2924.937663 2878.052254 2289.594832 1857.156243 1.299137487 3984.855721 160.5288592 5019.513288 5alpha-Androst-16-en-3-one 2974.664264 3234.529081 12746.41072 7709.774225 11524.44501 5109.041099 8109.530691 8580.013387 12686.96588 4.07813e-08 58.23003251 4.07813e-08 40.76668054 159.0835102 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4079.623078 8793.822679 7153.101175 7105.102391 7049.590939 5397.040561 15218.94965 12969.91731 10264.2428 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6202.847953 7417.485838 10824.57797 19499.1383 5888.856848 5642.380058 4706.276113 12636.14207 18024.7223 10367.54874 3844.586501 7536.541994 4796.114142 6096.525959 4.07813e-08 6178.815845 4.07813e-08 5706.972742 PG(18:2(9Z,12Z)/0:0) 13553.92917 9292.677055 6798.158588 4032.455568 3341.99528 644.0561049 7059.815488 2099.67024 7232.027683 13581.05628 5323.052652 3782.332666 14056.03811 4185.506595 14301.93981 2570.982582 10428.90706 7641.829829 8353.57883 4420.356641 3423.360428 2871.381023 46.96957602 1793.770802 3820.251184 3891.863631 2200.425577 5419.817637 5382.369143 3722.109329 4104.332457 9255.712529 3147.714918 2903.318856 4888.981813 5103.648135 1801.793771 847.375511 2651.441629 1438.635905 2579.333166 1473.596181 122.67006 743.7008303 1323.036663 682.376027 293.3273841 1181.589406 0.124967781 2496.223183 5878.961947 1339.601281 426.3122187 1059.586506 9-Riburonosyladenine 8424.984784 7156.766241 5764.706867 5188.03114 4369.87661 726.8182595 2285.341031 4253.821255 1860.088816 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 520.2574939 529.6101929 219.6248662 841.0423678 4.07813e-08 1876.569815 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1721.435301 2266.19364 1430.878263 1714.503492 276.6662895 884.6254084 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 393.6990686 6088.056718 3886.097984 3184.938701 4.07813e-08 1178.337627 4.07813e-08 537.2157626 Vanillin 1249.856044 1758.003387 1934.054332 1589.261933 1997.12276 1457.944419 1847.824531 1707.628579 1864.693207 3305.907082 3879.093408 3004.474999 2863.752296 3366.471533 1890.885896 4877.129257 4358.878769 3729.058324 1283.043891 1683.055777 1268.337629 1709.831923 1119.230386 1456.642584 1794.157578 2384.296035 1533.758693 1751.508809 2571.099395 3805.249294 3805.07243 2837.47907 1680.945642 2521.183314 3724.287561 3191.821938 1369.00164 939.0397574 1329.197577 1393.944024 1161.72889 1174.214599 1380.637148 2221.962254 1632.757503 1501.553965 1160.060659 1182.023904 1065.345042 981.1175136 2914.580458 1412.221692 3927.927256 1546.487632 3-Hydroxyhexobarbital 2767.285931 1863.196595 2332.720785 2111.059245 2627.976715 2992.852449 2865.47162 3363.61321 2230.226491 150.8189244 271.8561709 200.6743759 307.8199744 256.3852064 63.83943233 4.07813e-08 328.0038332 300.1135632 5206.445722 7752.526863 1641.255913 3976.195821 6655.708848 7297.346536 7106.21531 5329.65197 9159.802981 76.96534749 210.1546605 143.1203607 51.2792952 408.7515858 156.3421233 490.3239344 4.07813e-08 4.07813e-08 4080.11216 5597.641295 2448.620449 3716.75877 5588.218712 6642.187691 7201.165156 4911.712812 7277.009907 6427.622635 4907.639419 3843.291962 3420.072479 1552.60946 298.1906286 4538.152072 80.31304747 5493.028729 Geranylgeranyl diphosphate 6413.5829 6830.107836 2237.39523 3308.081123 3271.341623 2088.061387 2800.878199 6592.110885 7227.169485 4997.010429 15861.57525 7311.161055 3173.910242 7718.028101 13549.53372 44266.70377 34263.93847 16227.4811 2921.906928 2106.517662 1234.888372 1136.627116 804.3963735 2534.111835 1185.773396 614.2449239 1068.818965 23545.05687 5319.458507 23183.19511 9663.197681 19417.9401 16490.68599 4834.188601 19069.73073 7692.346882 2897.168924 5246.887924 484.9712133 1178.835029 2942.502947 1689.892715 4820.650371 1200.154486 220.0116315 11350.1879 1823.07991 1827.461876 1801.996851 967.0814521 11304.95737 1516.512958 14067.09358 6561.44433 Ubiquinone-2 5168.052441 3448.663928 3432.865693 3113.736762 5481.69629 5259.018627 5941.168854 4488.679856 3368.813204 9.69995669 78.96573438 108.1952457 4.07813e-08 206.1586808 4.07813e-08 93.66472168 4.07813e-08 4.07813e-08 6873.825838 7052.233421 3239.604018 5839.279931 9357.404655 10556.12964 9035.327924 9587.507321 11579.27976 35.03996829 4.07813e-08 167.6530536 4.07813e-08 290.8868839 166.3257411 208.2913586 91.63999998 118.0533089 3738.601891 5289.743134 2951.658689 5564.495146 7825.600639 7968.456682 10107.02558 9413.496107 8901.327773 7730.500718 4235.527291 3809.246459 3205.723855 1755.66715 116.0744101 3315.414601 20.38401864 6959.526191 Salbutamol 3179.209306 1035.480252 2041.962131 686.8326425 1014.708683 2254.762744 1800.359712 2924.675969 1360.284561 74.84814055 4.07813e-08 4.07813e-08 414.9468058 4.07813e-08 73.94280509 4.07813e-08 4.07813e-08 4.07813e-08 8415.642184 5759.232543 5407.220956 5443.913148 7052.174948 9882.876876 6695.126615 8778.118495 8646.252663 4.07813e-08 76.83090031 4.07813e-08 104.4358927 418.835899 173.7889479 612.2563271 4.07813e-08 4.07813e-08 4108.360734 4681.009366 5490.976565 6107.45584 6634.142161 6374.654484 8143.459236 8244.632926 11063.02014 4351.676811 4331.708757 5577.735245 3859.170163 3312.242513 163.3009789 5139.915003 141.4470959 5611.066787 6-Succinoaminopurine 664.1832089 686.6876966 995.0073479 954.9461202 2164.866137 1171.060785 1028.205139 965.3565003 735.0281681 4.07813e-08 4.07813e-08 140.5353927 72.9993508 4.07813e-08 237.4477794 133.0408381 141.3547864 101.8394571 1557.334626 1691.404146 2067.194043 1598.028864 1856.823496 1732.799301 1653.209577 2114.086552 1822.117708 46.64994304 76.98745928 287.18628 55.27616202 527.4618214 153.7958862 75.58101393 120.5860683 276.1484369 1441.838072 1268.452752 1227.097991 1686.198817 1689.594013 1750.50146 1489.982421 2279.391275 2403.016858 2033.576697 1186.501852 1826.405974 1338.393307 1119.017527 413.8416147 1452.697889 300.0231898 1497.228214 3,4,5-trihydroxy-6-[4-(3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}propyl)phenoxy]oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 724.0945039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28408.40153 22918.82329 4.07813e-08 33483.19296 4.07813e-08 19335.63726 4.07813e-08 29158.37503 32001.90181 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32352.20517 31518.18583 40.75814048 29434.39963 33682.92507 13839.25889 38201.70791 4209.925624 450.1874259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 94.74284543 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33542.31362 4.07813e-08 43302.23842 4.07813e-08 Aziridyl benzoquinone 9202.816801 8892.93835 3199.444301 7104.45059 8912.130502 8897.490997 7806.997878 6691.049071 6036.909211 3946.979427 3483.130398 2490.903667 3927.801735 2525.453784 1881.34214 1583.367114 1532.424778 2294.131463 11263.32967 11308.70109 9552.023166 10872.05817 11839.38931 4214.283212 9400.125668 13429.04453 6513.55028 2480.229316 3752.653787 3456.820167 2468.773571 4796.248158 3410.720471 2607.84859 1560.653318 2236.235256 11349.90108 12135.59897 10021.3472 7557.955557 10753.40159 16024.10119 2304.261966 13033.31837 14051.1003 3659.58284 4422.692294 6127.857134 10607.28255 8441.954702 3657.099367 9726.810479 4757.66026 7194.9735 3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide 47354.88845 33578.77042 40351.8056 39125.48601 45344.50027 44036.13869 51601.01788 28257.57557 38911.24988 10392.52819 11523.0106 9583.009535 11491.24324 10319.66114 8527.521709 8475.457388 8489.311837 11437.32449 80694.26745 81894.52856 64286.06333 69971.68305 91234.42385 87867.22922 74370.78499 49073.76249 59247.15247 6913.673963 9249.550761 12429.36379 9225.925659 13906.70271 10458.54068 9607.27539 9542.148926 12909.83279 51780.91586 73273.30969 59515.0202 60913.60306 74588.82165 89833.61246 79941.80583 46679.90527 64442.90843 74703.25888 56294.25725 69468.48588 44333.03604 39055.78226 17113.06609 65470.38255 12941.82607 49032.05847 Methyl 10-undecenoate 2745.086761 2667.607315 2546.16153 2117.729861 2306.826925 2028.936353 2319.112752 2201.446814 1921.643602 1573.510876 1341.387419 1583.442857 1441.425341 1573.008375 1100.355389 1921.743197 1174.934247 1630.368554 1122.130911 1378.667917 1341.472848 1510.788972 1189.99525 1245.109836 1222.817838 1577.589978 1583.956992 1156.252902 1470.304319 1670.931981 1906.155327 1420.110249 1616.083293 1178.484346 1572.081169 1839.613848 1960.566718 1489.482671 1454.863414 1105.604355 1047.583694 1179.82636 1296.668029 1899.515512 1428.932883 1518.299263 1594.617861 1819.398136 1617.701589 1570.670943 1331.10315 1561.424813 1612.388577 1960.016561 (3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol 30043.45074 22990.57229 30017.05566 36416.90162 41511.06192 32241.46382 33097.52375 25747.26425 24876.23432 7883.584411 7699.487385 5330.921351 9247.662312 6870.923461 7134.168362 1877.78486 4792.874307 7462.772057 58151.81097 55904.83543 51740.66899 54098.46626 65855.73385 56994.39623 50063.90665 59250.32398 64436.29638 5243.505855 8829.736163 8468.597766 6865.55943 13465.86437 6528.696739 7110.006572 3383.524749 6900.377568 37379.19208 55419.86406 47863.76022 56872.52448 60128.73097 64615.84885 53514.77522 59371.49469 78051.30418 47779.12678 42009.41217 47802.85972 34653.0966 30469.89562 10327.01245 41968.00694 9709.799802 41563.11843 Lucidenic acid N 3966.566311 5907.884669 8844.672851 12004.84205 9439.557188 4573.348204 12299.92878 6179.661046 1067.528088 994.6223997 603.5288002 7330.578074 1957.696153 8439.598048 15249.82988 1353.6228 7038.337284 18362.39027 2606.983949 1762.459056 5229.986146 4243.680395 4412.537991 2444.731079 7465.48596 3543.175336 3238.88594 16489.48498 930.9046173 1426.152699 244.609438 946.7193735 4568.419288 474.3501567 4997.614675 1602.937448 1777.570568 1939.348492 4593.974838 8909.133895 3392.782049 4469.081624 1885.081212 3628.738731 3488.561729 13025.62592 3613.32765 5294.261846 6808.381253 2779.98358 2195.408716 2582.82737 331.312335 6486.266801 4'-Desmethylpapaverine 4.07813e-08 549.1899167 4.07813e-08 36.76683866 21.48708433 33.36493313 113.0351036 149.9164197 176.6650971 7681.733876 4492.025184 3332.06647 5647.255667 4335.629987 1871.367838 1078.677173 5616.497879 4672.206183 179.8699773 120.3807032 98.85935143 5.698302155 254.6322162 211.0595362 4.07813e-08 137.3144627 136.2516664 6348.886346 7143.444285 4839.719647 6895.332515 15402.54713 6492.868992 5057.34945 4528.114686 4251.474659 2118.861035 6.725887196 192.0429903 76.4648656 295.8883943 171.6966078 260.6451032 26.47967184 44.23446535 34.14150199 228.3659048 90.26472624 846.0727106 1028.409097 13830.14953 549.5682538 5411.383823 256.0966738 2,5-Diisopropyl-4-methylphenol 9451.972778 3636.734819 6688.779681 6519.116123 5256.949824 11625.19406 14310.54901 6828.893224 7612.856732 846.4378514 841.3578057 268.8293179 492.0266093 453.0086821 504.3625191 1400.977212 1275.550679 499.3308819 1320.184451 1412.939899 1939.635847 3247.657433 1765.052095 1722.08743 1731.871999 1305.351139 1743.343085 1294.188476 874.1776304 778.3976694 508.4831425 1278.367727 1012.059091 575.1202539 781.3547565 775.7835668 5130.43412 3151.702228 4475.82424 2339.012094 2491.779392 2504.43945 2377.70726 2268.666616 957.8773412 1363.407884 4472.33793 7514.519496 8769.36079 4160.431846 3456.969628 5493.134858 7943.182019 7846.832855 Farnesol 2076.325992 2207.662861 2338.786747 1724.415784 2116.460542 1698.208251 1755.644506 1313.058958 1923.112634 1176.58142 1152.335586 1048.180707 1209.904541 1294.098235 843.1326531 1434.574144 651.9805706 1126.953847 1219.73328 1169.136471 325.6731934 1071.213173 499.8175781 840.0541734 1615.38509 1560.0187 1279.363775 743.3544712 1514.753234 1564.660314 1522.357472 1149.173255 1272.369505 967.6229517 1256.836462 1432.478679 1256.984821 1095.722585 1082.734152 930.6705872 908.0675129 856.8086716 834.3927632 1460.663857 1571.88069 867.633949 1287.656593 1182.70352 938.9218383 1490.927081 646.952397 1048.640327 1696.933645 1521.10611 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid 1429.16859 1238.060291 2048.508619 1962.067928 2745.979944 1793.77726 1822.801445 1492.854755 3252.224812 770.2808091 272.3303714 251.9449725 571.3431887 47.84762256 219.7461914 4.07813e-08 4.07813e-08 799.6551951 3756.324679 2960.147911 2459.550078 2660.459224 3181.223991 2474.521113 3309.854167 2149.841261 3297.521854 4.07813e-08 458.9402943 368.0755174 471.1914036 342.4416868 414.1091727 358.1435039 4.07813e-08 680.1032191 2866.810194 1899.89221 2317.029226 2090.121029 3635.645213 2840.160158 3002.961645 2257.959475 3595.903296 3679.368273 3073.301974 2910.57761 2675.597152 1763.960554 812.2741101 3188.212114 838.2494585 2881.128344 TETRAHYDROTRIMETHYLHISPIDIN 905.3227855 330.645014 807.5835733 374.2022357 478.2419747 937.795461 1949.991688 1688.156605 446.239169 379.2401653 225.8815843 4.07813e-08 258.0209878 4.539265379 137.0421311 4.07813e-08 1356.991221 1005.057371 1774.17546 1070.820822 1254.580656 1717.078833 2698.551523 2255.5594380000002 1778.945048 347.9254856 1624.581219 4.07813e-08 123.6800827 68.97250345 236.420349 1498.879997 4.07813e-08 199.7044996 157.1682231 418.3388859 1553.916183 1481.59263 1360.845192 1933.589048 1888.423392 2576.385904 2661.719808 695.4701725 1232.631602 2148.673614 1376.351802 2702.594812 1329.837682 1154.058404 403.4351358 1171.75287 66.59457882 2212.728673 N-Acetyl-leu-leu-leu-tyr-amide 4.07813e-08 4.07813e-08 4.07813e-08 3094.716253 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8056.055971 11498.91664 8968.100202 6942.293929 7277.713491 16243.59193 10468.13065 6465.428911 9030.397353 821.1262674 285.8272085 232.2479131 3266.934559 870.4294653 1996.997389 657.6953865 4.07813e-08 1605.7185 3111.966005 2879.370575 6113.225005 6314.488833 5319.102466 10974.7833 9189.450145 515.7899191 4348.156971 70.75649483 4.07813e-08 4.07813e-08 3321.88069 4420.150474 891.3962912 1147.94275 4.07813e-08 296.0719919 4.07813e-08 204.8130879 440.1742997 853.95832 4.07813e-08 11086.12541 4.07813e-08 3266.571279 4.07813e-08 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one 1734.318884 694.9980429 1211.86373 614.3648118 1947.129144 1556.820104 1355.544934 3132.5531 1720.202008 1059.752978 1182.452597 460.6130357 580.8259701 935.9052353 2973.948328 184.0331771 5198.573959 4447.445035 1304.03918 4.07813e-08 1430.365701 1417.948798 1105.441771 729.3304174 1421.305363 1211.626742 1172.995372 2547.976172 1297.625224 1074.897721 2398.6224 1458.15846 887.221918 1986.224111 1499.041921 1538.314471 2560.627191 1202.677143 1661.55043 1305.628529 1945.306594 1987.834748 336.9502151 1652.28934 396.16689 428.2786955 613.4816198 1955.292323 2441.353252 2003.881301 2925.337182 1167.384387 1461.653241 1023.832922 Madecassoside 692.5740303 1321.793407 5.47264124 4.07813e-08 4.07813e-08 4.07813e-08 3113.526913 64.07969173 541.3210738 166263.1776 127523.78 96524.75308 162779.4494 77087.15943 107373.8597 42647.65412 17170.62398 153818.8481 545.2816983 598.0513618 788.4813084 188.2319145 1413.851232 4.07813e-08 829.1401931 1248.82851 455.9165395 13896.02032 108756.0746 114208.8944 100893.0065 187353.761 151807.4835 148969.2734 32794.41518 91408.47396 1164.485857 776.9186197 551.5462606 727.6433263 0.410165187 4.07813e-08 149.4438183 4.07813e-08 4.07813e-08 948.3359013 898.9162456 4.07813e-08 4.07813e-08 4.07813e-08 143068.1756 1365.078968 180337.3886 668.4799077 Seneciphylline 134.8933129 3988.745525 4.07813e-08 156.5053985 462.3974696 587.4061588 538.6791236 4.07813e-08 969.7626468 8112.809567 9653.96509 2192.545491 8866.806571 5785.691946 2737.996194 1929.326453 3027.095172 1717.822193 13.6938903 23.79936235 4.07813e-08 15.28260084 4.656321876 7.699055247 6.425311543 4.07813e-08 5.938927159 126.3209148 635.8179002 1992.305527 258.8490372 1478.842181 2516.948761 4.07813e-08 860.3324923 1870.218538 8.568932167 6.43097802 23.56675341 4.710356649 29.93650397 32.84106349 2.13935106 6.149538054 4.07813e-08 14.13151758 15.01685839 9.06391044 10.7792802 1.141944559 1588.154756 4.07813e-08 1267.774392 4.07813e-08 Lyngbic acid 13324.84349 12004.44931 10900.75337 11300.87975 9976.161477 8074.890172 7721.691888 12824.72297 13117.74828 8720.909971 7716.098807 6813.14341 6994.190495 5835.51488 4386.365763 13015.15513 7857.665674 10215.07642 7343.696327 7263.576598 6461.868248 5592.402091 4657.045118 4351.752851 9248.028264 10598.76058 9777.077915 6679.299594 7808.419615 7891.693095 6750.821351 5192.71945 9808.296093 8283.534011 9636.021812 10016.92352 8329.444925 6519.41296 5753.240873 4812.168375 8083.358289 8491.078714 9021.973974 10254.56045 8477.400855 7592.663063 6304.281901 5198.790399 10066.93122 10142.03849 7553.361701 9990.845665 9033.971981 11072.45087 Goshonoside F4 59731.88117 30044.43057 58156.7148 50144.67253 65638.14427 54084.0786 53868.57855 54744.32355 21755.72329 4.07813e-08 4.07813e-08 4.07813e-08 13.15171904 4.07813e-08 4.07813e-08 4.07813e-08 901.1936123 4.07813e-08 45200.85814 57454.86695 39717.28474 40649.40292 36144.62815 55369.36167 32686.39184 39095.75267 30683.94957 4.07813e-08 81.85791705 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26682.80558 56980.96053 38476.29783 47633.74602 62353.55744 41642.59952 54423.48168 51563.419 35573.72795 103450.5805 33115.03172 32685.88097 27259.1789 15919.44294 195.2768881 27948.79711 804.795992 69417.71955 PG(15:1(9Z)/0:0) 4.07813e-08 4.07813e-08 14.18784511 195.4238094 30.31322413 4.07813e-08 287.7177687 4.07813e-08 4.07813e-08 6279.477245 14119.80118 19610.09509 6882.453006 24279.81558 16923.6526 20620.7218 23844.62973 15412.72173 657.8404682 603.6851357 149.5078903 188.4942749 411.6308787 195.5546552 193.7301316 593.1435928 337.2339431 9630.543295 7760.640636 39875.41306 4630.134137 20392.21681 13258.86959 2699.147602 14840.44914 28489.87342 52.70514983 453.8355555 241.8627597 339.6406918 684.9228514 904.2542003 427.1714861 402.6227905 999.1792055 174.9493307 18.85037004 392.6763603 210.6102951 381.8249671 11205.11525 24.52595739 5408.73394 125.6482678 Rapanone 79.68206679 67.24412152 149.8773804 309.3151489 534.9141031 551.8449755 420.1051432 429.452811 153.4361444 2657.396856 8768.145128 12162.93299 2374.261583 23170.73546 6633.183609 12604.1452 4545.018199 9534.929452 178.8221702 229.5032104 138.4637697 275.3604438 513.5082652 358.9965646 115.703701 309.5404437 304.2552595 2314.677639 7685.150923 14427.40673 7325.212483 23415.43821 9062.949873 7780.120276 5451.179136 8484.315939 174.4300365 517.4288771 263.290078 259.2694414 178.5204657 288.1563029 343.0090498 250.6591445 168.4686282 446.9315616 167.4083014 93.90959142 65.16926503 203.762236 8248.610256 160.0721006 1850.717159 157.0406608 Queuine 10972.61484 15358.43322 15508.36415 9117.88403 6537.952378 16498.459 8494.971052 21301.13712 21934.70098 695.5921912 125.2478739 813.8781365 567.2047441 1053.00148 1317.477775 530.1666399 1313.657803 1484.208316 18317.10101 17325.49297 17397.79986 14396.59093 12942.04937 4498.372808 9870.85346 2453.47371 1593.327249 603.6922629 406.4300703 350.8619786 607.4805259 76.74779289 60.93235268 864.1484327 598.7397428 280.9766144 16567.94576 13015.54806 17049.24342 14205.19445 11341.1033 15169.93168 4079.243727 2536.774366 1322.875167 22485.18316 19787.85479 16893.82496 20584.82776 13834.35931 3144.734227 25595.04215 556.9859303 14882.0293 PGF2alpha isopropyl ester 18043.12573 22683.66889 32506.65118 63240.53568 64402.68642 39416.4026 42544.15705 22320.99001 14432.96938 31914.32662 57664.78243 54232.61771 28899.93164 164835.8336 69506.77889 66239.52037 179939.0009 55309.86422 26344.24636 20778.34529 17747.12082 30319.0016 41947.41649 53787.49219 30046.22076 27397.95674 46436.25698 52947.26897 46885.21035 69406.56971 31404.997 44251.91118 46185.80781 39986.51338 109931.9272 51549.23732 26622.08774 24124.06064 17120.874 28222.55828 33290.35369 30004.85359 52062.94057 26487.92424 31088.76779 31730.97774 13634.6735 22914.71029 20322.40718 13519.3143 33300.33506 17531.28502 23775.36585 38378.96313 PE-Cer(d16:1(4E)/24:0(2OH)) 2969.474952 2247.782115 1008.550756 4.07813e-08 4.07813e-08 544.4873652 4.07813e-08 3343.27033 1831.807281 1616.103437 4.07813e-08 176487.5995 2426.601417 157185.0189 208802.9986 7970.921683 36996.63791 244454.7765 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 785.4896341 4.07813e-08 5298.459621 107040.0029 259.6991033 13471.54889 1027.458559 357.4943716 64900.58429 9262.595495 6209.674912 10513.18562 4.07813e-08 351.744358 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36072.12665 8277.673167 23442.69036 1616.206333 12314.31569 15033.80603 1222.718369 4.07813e-08 NG-amino-L-Arginine 3364.066449 3129.676151 2993.740606 3486.474436 2968.107332 2595.868728 3172.842835 3058.030421 2276.77544 2413.817809 2229.172655 2277.766391 2105.714632 2360.758546 2231.668493 2520.430747 2357.746426 2446.880955 2207.047714 2304.003517 2332.154021 2669.739833 2097.299704 2224.283411 2575.796428 2176.204773 2405.760878 2152.027539 2279.697843 3084.729946 2707.910115 1990.385708 2355.994812 1869.837844 2971.274485 2721.997699 3140.21896 2447.135571 2294.318803 2306.200208 1998.739167 2811.054368 2109.901882 2840.779972 2293.954898 3136.494338 2953.405607 2678.993137 2769.506632 2442.19156 1927.010217 2445.380611 2773.910836 3364.76028 3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol 11608.01797 12383.0399 11961.17673 11960.51302 12617.02767 9826.840418 11251.00013 10628.60051 11347.11295 9183.340773 8490.116769 7306.931809 8553.12892 7994.958798 7297.464103 10067.32086 7791.793772 8010.005177 7962.167638 7820.588416 7740.119892 8930.927919 7846.254575 7831.956863 8673.539282 9950.567023 9354.162243 7242.506347 8134.67458 9106.36227 9532.41908 7382.956003 8618.64021 8805.391242 8910.781245 9595.51173 11806.3029 9136.215484 9448.212367 8101.649246 7811.270285 7483.339466 8403.400454 10736.85986 9426.315666 10115.67732 9464.241271 9253.242227 9602.886333 9365.332503 8618.475178 8841.416939 9917.59985 11727.61989 PC(O-8:0/O-1:0)[U] 232.7531529 4.07813e-08 488.8155402 4.07813e-08 4.07813e-08 162.1830254 549.9562424 4.07813e-08 4.07813e-08 537.8461724 1799.262787 384.5054935 315.2346499 203.4624397 257.3530883 432.2501096 1060.100841 1440.126418 1369.869447 2036.977422 1379.692727 909.5177848 1796.504759 2401.052965 1303.157692 1263.5543 755.825544 373.3180521 947.8483977 288.8114097 846.0124495 497.1709399 209.0202967 4.07813e-08 4.07813e-08 4.07813e-08 994.1660715 1952.646904 4.07813e-08 1313.930493 1396.216509 372.7986561 1807.844227 1874.357352 2765.294655 1668.668815 1413.822369 832.7699626 625.3678207 237.6581784 284.7178927 725.6090926 3203.766606 782.4129472 Nalorphine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1667.693799 3660.745627 8635.329243 2028.299083 13618.01503 4119.605578 5085.165669 3787.413722 4167.331419 4.07813e-08 1.624706435 4.07813e-08 4.07813e-08 2.477950659 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5832.038291 5473.301134 7609.235772 4005.158381 9343.664812 6041.00144 1278.311699 6493.159947 6967.193277 81.96488878 4.07813e-08 4.07813e-08 4.07813e-08 1.906501365 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109.2064588 0.044581278 4.07813e-08 179.9465063 3774.990569 4.07813e-08 1075.955312 11.70715156 MEBHYDROLIN 4289.183013 4242.067327 5518.544839 734.3948379 296.2168083 7801.17907 327.9571045 11647.96969 13534.57273 4.07813e-08 4.07813e-08 7.86249425 4.07813e-08 145.7615212 538.5074652 4.07813e-08 5228.357058 3.164469007 10901.97266 6117.279153 8525.221536 6641.547254 1237.863089 1377.959041 612.2657269 4.07813e-08 4.07813e-08 509.7084187 602.7631763 4.07813e-08 1277.691888 1519.279289 4.07813e-08 1211.402137 1030.150246 4.07813e-08 6657.974026 2614.399715 9738.917138 5803.396191 1819.680241 3704.195304 888.6268743 4.07813e-08 26.95364043 25967.55347 29980.65534 11574.16439 12275.27903 4031.894089 978.004156 13204.13322 4.07813e-08 671.9870727 Benzyl nicotinate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.56005728 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1951.066952 3369.70829 4511.275628 1281.920832 12375.9401 1280.535877 15883.74691 4424.702974 3464.045162 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 62.19446027 1806.548262 11277.71849 827.7533316 7076.779192 1527.789118 4.07813e-08 3783.156639 9354.295498 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 459.055229 4.07813e-08 2031.135004 4.07813e-08 Pubesenolide 81554.76035 134770.3585 77801.19878 30998.49934 86947.33522 62412.32793 64880.04649 29875.15837 110899.4128 500.1860582 7636.104129 551.2659993 427.270947 1075.345441 225.1274378 1317.33082 1374.669744 1736.800725 4325.280045 3424.402357 1271.407596 3533.64187 3155.562483 2436.710457 1015.604403 1848.907598 3413.094242 375.2711191 986.5760838 4328.012763 900.7585698 1542.962114 149.2356395 351.4810358 157.5256146 1014.730135 3855.062491 603.6734147 490.0155068 1879.820028 3366.948933 1841.712465 2832.638468 1318.38579 1370.740056 4379.838464 3881.600321 1630.233497 417.6615333 4.07813e-08 705.5102864 890.5108427 1887.803818 2347.51821 2-Acetylpyrazine 123.1168496 133.6152454 151.8194918 35.13006738 130.3798181 66.89955655 191.9022883 62.40059236 87.69365403 148.4957493 105.8479907 159.4988091 117.5729569 106.5682619 152.4844798 66.60292261 65.21267432 95.96896464 100.0047405 96.40579878 36.21080209 200.2919753 135.9870235 192.1831496 171.6345169 81.23505412 4.07813e-08 145.4843397 92.95986906 121.5609302 142.2126348 161.984457 160.1124733 37.45747309 164.4151753 247.58971 122.4765421 225.033439 75.81809046 117.2160818 87.69254238 84.25037547 41.93495982 112.6877799 4.07813e-08 78.82468598 93.46985568 147.63779 191.6580034 38.52853538 156.0308675 125.9917773 4.07813e-08 136.5144896 2-Methyl-3-hydroxybutyric acid 11792.97812 11899.64759 13147.70349 12062.1764 12922.4334 10080.74491 9737.557071 10038.63578 11042.82814 8090.852813 7083.322386 6931.968269 8303.777117 8791.020719 6124.995701 9837.275702 7251.466389 9805.077537 7787.263993 7947.113157 7562.771738 8992.335967 7913.111941 8000.010376 10265.29324 10295.95754 9550.82514 7902.626519 8020.964553 10691.4975 9389.484429 7827.182691 9172.956589 7314.183777 8011.822216 10519.14806 8981.161439 7601.82568 7903.712767 8035.801239 8578.405188 8748.786273 7954.888479 11702.06563 9525.237162 9290.104968 8677.445492 8117.744085 9089.136877 10330.57232 7863.291522 8859.699695 9309.63151 12770.74222 Cholesterol 70284.58535 64079.5987 58764.85543 50478.21881 50546.5483 34253.49968 31704.59477 68448.0663 69077.92889 41245.44999 33911.50316 32080.5666 32506.44783 29241.48429 21802.71237 62701.42625 44879.70941 50279.37188 36599.24822 38875.32574 29983.82725 30556.85239 25066.60198 23415.95306 59564.12208 57118.33128 51887.59044 35019.61507 34294.98048 34467.80187 31178.83747 23250.44705 55133.98957 39543.62966 48141.91963 50830.0079 37549.4928 29292.2537 28889.97922 22464.66176 53355.37058 48905.91613 45093.04099 54738.79808 46270.62705 35029.62943 31079.28508 28052.90174 59247.00408 54699.52003 43374.62522 50846.04593 46728.95103 52670.60139 1,2,3,5-Tetrahydroxybenzene 6045.067737 6330.406574 6152.596732 5698.339727 5984.283091 4956.620281 4660.105555 5493.057551 5472.832336 3863.580626 3252.269971 3436.186763 3534.716414 3686.292147 2845.233004 4779.966443 3293.126504 4261.415713 3758.863267 3797.672407 3502.51867 3780.97584 3741.370472 3783.524202 4785.318618 4955.423993 4371.533777 3262.284333 3702.187657 4470.599185 4210.767208 3485.067787 4142.349992 3571.800283 3946.46811 4351.800456 4485.91742 3573.413314 3705.920914 3721.902315 3996.040628 3908.83002 4083.977427 4748.562003 4303.26943 4232.185159 4144.981405 3653.703312 4825.394913 4599.158926 3559.236211 4390.630427 4526.198964 5216.652973 N-Ethylammelide 29806.50788 34743.65706 23933.41533 22523.30671 21606.6183 16706.59322 23739.39957 29148.52965 24604.02724 8077.802656 8932.661173 14476.81809 9090.226228 7023.529134 12651.6428 2524.79772 9295.719871 7911.240669 19316.13604 18742.46542 20389.53352 15376.67654 15288.25948 23833.50439 17154.75613 27166.41644 22814.71389 10942.63621 16177.73288 9163.55608 8692.801743 11067.93695 14296.86091 18413.84997 15948.32583 8260.70186 29423.58943 26589.81063 29134.55094 16002.44459 14367.5152 21433.14504 18581.85315 14529.37816 15759.98498 21777.68796 23596.50511 18440.14293 27350.98133 18474.96154 14989.42751 25836.95505 11702.4878 17077.81514 Ne-Methyl-L-lysine 19620.76644 25102.89831 13793.97529 22003.45383 16352.05313 14579.62383 15142.25619 38269.23783 28912.50132 6623.951379 4751.399753 6617.66871 6997.507951 5636.268997 6254.740495 5738.21663 7063.204355 14572.90286 15840.52467 17077.89028 28138.90844 17104.90207 17182.25719 16241.06384 20466.01297 29928.65776 20930.24868 9745.546853 7738.459079 7917.745514 9860.833876 10868.92144 4724.920318 6455.99551 5209.09054 7706.959006 21288.96324 20749.63578 20472.34406 19110.38498 14797.64144 16056.9983 12959.90121 29993.5567 13095.77453 15610.05168 12636.65624 14572.29749 19663.31784 19361.7908 8054.23102 14637.30766 10264.83829 12735.67263 Ethyl Oxalacetate 22634.27895 21131.01778 29055.35056 33408.65633 27203.84297 20251.37074 28894.89698 18374.17759 16213.92675 16404.1633 15903.15112 16644.7157 17030.93096 13105.38771 15513.61561 7214.516493 3362.516554 8830.557978 29862.83331 26827.65255 29698.06332 29053.49634 29641.22941 30186.28458 24005.20618 39371.34902 35607.62327 19241.22285 17901.43807 12933.09129 11336.76393 23645.39178 18101.40715 22008.57206 7913.111993 7760.389735 23642.23476 23978.75521 30584.9251 23783.25396 28191.43222 29473.04157 24254.93204 34145.62154 40922.60578 17644.89087 16461.9716 22530.82847 23011.2815 31410.32094 22076.12468 21277.80938 13368.35533 20543.22639 5-Aminopentanamide 12512.09034 6794.258551 9270.380477 6460.489717 8752.747783 5677.618028 5884.13571 10286.37455 9201.652357 2408.081195 2771.785683 1387.509902 1908.069842 1246.401019 1913.884095 744.7462811 3004.68864 4303.174222 6309.959537 3266.593251 7807.62936 6213.460144 5412.741385 2540.412722 8582.214299 4300.997988 2974.628953 1968.041352 1574.54636 2448.32955 1253.319713 1281.663726 2034.932036 2288.406763 951.5096281 985.3603665 9172.13271 5768.797732 10300.2828 6678.527739 6366.754189 4285.203635 3102.436922 4197.133474 5826.827329 1629.245712 2618.119878 5856.688082 8538.387964 9660.147492 2575.949228 5998.71708 698.2905223 2988.939398 1-(gamma-Glutamylamino)cyclopropanecarboxylic acid 113917.8022 142555.6967 85654.34587 148195.3175 113747.4529 98370.37959 135490.9863 161743.0126 154180.2897 30182.55437 37784.09042 33692.68664 29307.82999 20956.2411 19884.29845 24299.82136 11710.13848 10131.26546 46931.39964 64967.16532 60140.43073 47225.1177 59166.91045 50492.99086 54770.10412 38177.45037 46260.65535 28138.90541 18896.13141 19263.46768 19314.26935 12958.79864 15802.92472 16657.23363 33116.65866 23743.5704 59826.67747 61483.30722 68899.6339 62236.71082 53177.3077 55496.30362 40345.77966 39203.78041 33805.69826 37293.61802 63026.47459 56235.55187 87745.55171 96440.68287 14748.65198 54284.4763 18648.80756 51711.21704 3-Oxoadipic acid 8888.625261 5837.084595 9436.016862 9571.8101 11237.75585 8329.644008 8236.511255 6022.980465 2237.60157 4902.896138 6579.193509 5821.258427 5946.338503 2973.556022 7832.924737 7185.02213 2651.357523 2762.836069 10008.75591 5897.766643 10321.40536 8047.455275 9938.951443 7050.391437 8781.468793 7996.796132 9050.209944 8301.541259 7929.517621 7611.611697 3683.533555 4270.222368 9482.44991 11201.92731 4928.643024 7711.733151 8455.924818 8633.955478 10113.7674 8277.513057 8426.567376 9407.059073 8191.32995 10100.35668 8154.137871 8128.416711 10611.72993 6898.38001 9296.040753 13063.96671 10426.28037 8146.042844 9630.241526 10196.91411 Galactitol 5359.959139 5387.711662 4873.872373 7962.561353 7719.899059 2623.579415 2867.095144 3482.074996 3722.131689 34991.7752 29542.96518 67248.04079 32145.91741 160651.2436 45954.90703 53632.64013 90078.23255 24809.67757 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 447.5434881 4.07813e-08 1429.36438 256.0077761 4.07813e-08 49404.63587 72934.83216 58795.98991 62647.1313 29892.09905 31614.1623 21708.78288 159438.0591 79118.86975 4.07813e-08 4.07813e-08 4.07813e-08 43.13432131 198.215555 799.7085142 4.07813e-08 4.07813e-08 658.6852717 421.59852 1108.665897 509.6967212 3622.9382 3046.591543 34920.01729 2359.713047 41654.71341 33452.6824 N2-Acetyl-L-aminoadipate 75014.97755 91297.74368 45713.942 82265.77736 46279.68204 38180.79026 85101.3761 90244.2625 99561.35456 29048.2992 26563.1621 27961.5876 32386.79531 20238.33978 23053.75293 22647.08754 11055.48626 17879.91017 17040.13592 19944.62532 25457.84742 12624.54346 18970.2012 16405.16482 17702.58722 15434.87186 19402.30251 44514.80644 26597.86638 17810.87445 21513.4902 17663.81095 27826.81936 27366.87306 31732.9481 20320.13342 26906.52753 28444.5109 35980.91797 25808.0648 22183.61305 13874.65517 15354.3615 15495.13357 11993.11689 10307.3085 29686.1284 16588.27962 47425.82965 53019.0115 18232.04821 24025.02791 25723.46657 24299.59157 L-Arginine 4623.294942 4508.855854 5045.951761 2543.484938 5013.698961 3259.346045 4924.315037 4913.970786 4862.254419 4.07813e-08 4.07813e-08 584.7099059 4.07813e-08 139.1973408 694.9255333 4.07813e-08 4.07813e-08 4.07813e-08 4880.164736 3869.454721 4543.056272 4509.09191 5130.738886 4025.500806 4930.827935 3810.54982 4418.014737 169.6144146 407.2535822 647.0697998 600.3064369 4.07813e-08 682.7978102 496.3671981 4.07813e-08 606.2947191 3104.399711 5096.504181 4613.385092 5078.200689 4480.213265 3106.00325 4132.773838 2668.003756 4442.861866 1721.989995 1680.318901 3753.52464 4167.000368 3966.735306 689.1973333 4326.393671 887.2199282 5125.580762 4,4-Bis(p-fluorophenyl)butyric acid 9944.892287 33433.78171 12127.17896 9862.043692 19030.23601 13923.27826 21374.7157 5373.601244 4240.845706 77055.04094 80629.42013 23360.5334 86723.37437 50873.3246 24665.1984 20003.79846 34858.45768 33277.75603 18543.40855 14158.91102 15531.77142 12149.67665 18747.00479 17478.61815 18373.21989 15711.42565 14664.02601 30771.7778 37805.90975 34981.25687 52449.38607 50031.63221 32596.98842 63689.49571 37533.1584 88204.61622 11894.05344 13991.46548 10132.2049 14799.43518 12743.90642 17732.17961 12192.24457 14954.17209 13658.17624 14080.29029 19798.07365 9665.005637 16468.81817 28097.35439 35249.38127 18097.76111 41729.09834 19511.59619 N-(Carboxyaminomethyl)urea 4.07813e-08 241.9575727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4822.342635 5547.136334 3087.898864 7328.934392 4046.478756 2083.440879 3712.088525 1784.354816 2739.788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1460.189825 3704.191481 5211.966941 3279.350946 3754.75295 3602.487803 2475.544981 3861.923739 8785.547464 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3644.121937 4.07813e-08 2472.592698 4.07813e-08 Mimosine 85796.50014 66159.1837 77521.07246 83613.6827 87717.82903 69816.604 94076.17355 73233.39483 73152.10011 29680.60322 27796.78632 27018.02509 26780.62788 28024.74831 21461.0231 20359.06994 11453.36535 17685.19226 94262.92479 80748.4451 79331.43556 73426.4816 107898.658 86686.45955 85226.10082 95470.01335 99906.81115 20888.18005 31004.22812 23001.61909 24898.28504 38693.07214 34907.64005 31744.03854 15612.6247 19665.43644 66380.7633 81200.46428 80217.58986 90192.90627 83557.86751 93090.5534 82244.12719 88158.96109 106300.3209 63204.50011 60703.69038 72527.59444 68277.1989 67908.5005 33555.81811 73720.52045 27149.47377 81037.45914 3-Formylsalicylic acid 42845.07609 45883.37458 52024.93917 70615.69237 67754.16923 46548.67733 46139.22399 38013.97729 31111.96021 28039.58276 23717.94036 36297.21248 28714.08744 32284.88948 22304.93873 24738.28206 14875.96149 25708.1575 46156.3432 44200.79213 43775.23825 44827.73276 51474.50637 47045.01266 43569.14427 49775.39282 45405.52358 19676.85669 25799.86471 28276.63243 19597.8602 29382.89955 39793.77104 30887.08782 19888.68518 26651.55913 34801.48032 45370.0549 46742.56216 46399.96116 50454.15302 49511.47367 46235.05705 49874.48445 56416.59877 39335.99353 37545.71536 38729.32818 38224.71665 33733.88515 27095.82469 42025.72641 21015.18526 46315.86564 Nopaline 26526.99186 31709.36388 21372.76961 23655.34632 27516.3815 19213.7131 29079.27583 46662.08289 49154.64502 20487.82097 14336.98721 15587.20991 16584.60669 9050.945642 8312.572235 12975.14172 26297.33462 22908.0474 10757.8142 12513.15183 16253.08557 4505.583938 10639.31341 7878.311557 10415.52057 9505.340749 15374.46728 17979.24147 10297.28134 13075.4445 26677.52164 18867.29029 8932.308422 7328.856067 23007.20145 36672.50619 5277.584156 11108.72743 12665.07615 18454.9431 12964.58714 11131.2428 10311.39018 17525.21584 4520.623022 21827.42835 15149.14611 14919.74265 19023.80829 24557.42777 14447.25669 23167.67531 27954.03187 13532.67827 Gamma Glutamylglutamic acid 6255.462042 8731.692141 9594.344426 8789.027148 12872.05489 10622.40629 10554.89284 12595.06054 11294.65421 35583.10979 44717.80598 43862.6759 39363.35095 18809.19295 26214.26331 42752.65654 52579.97524 79471.39792 8293.088789 11040.40558 11944.40669 5265.862651 10462.79187 7953.672526 9127.143154 11395.45525 8637.406891 72393.91145 35817.50874 65327.00371 64138.97981 56158.65873 36303.58206 51249.28369 28787.43249 96207.94768 5042.082332 7729.16864 9095.329551 12746.80969 5969.770429 8312.123819 8041.4651 12211.38961 6230.723026 16843.07842 16128.34381 8350.382797 14413.07186 15808.15492 41865.23443 15528.27035 108579.6442 10364.29756 2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine 14878.98928 17602.01274 16431.36288 20544.5626 20642.62518 15399.55744 13423.2624 14774.67294 12707.34164 38549.93326 37514.96071 26103.25513 38981.48457 35109.95009 24539.41824 40988.4197 40813.04197 37110.95976 22613.65116 17360.47777 10420.74413 10973.3874 11966.1895 15441.41495 16138.05072 7463.949144 16662.71505 31661.48999 38659.74484 50706.37705 35969.67469 54057.6183 40363.54466 46808.23719 40090.01586 53056.81586 18588.84478 10651.54916 11288.0922 13976.28233 14816.7691 13510.27167 19193.58568 12374.5479 11092.58066 26751.15712 19227.34253 15390.13434 16779.70712 11713.68217 34560.85007 21096.44571 41525.81502 21391.57579 (R)-AMAA 1699.634545 237.9492269 2554.416033 4.07813e-08 183.7463769 2575.800248 320.7671934 2277.301719 4448.688008 88.8199989 106.4922585 4.07813e-08 4.07813e-08 72.65004 4.07813e-08 4.07813e-08 4.07813e-08 126.2288275 2976.234257 3555.029922 8131.285159 3989.767861 18319.30589 10200.61381 2976.980666 263.8459716 12614.31051 4.07813e-08 305.9293364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 162.4837267 386.5884551 3310.931785 5022.095335 12877.31899 5687.732084 4260.965858 17214.17534 1339.740955 646.5618438 12642.71266 2377.554282 3902.397363 1984.722181 558.4491064 371.7757512 3734.719712 4.07813e-08 2602.808719 2-Benzoxazolol 999.4836292 1371.543105 1133.430673 1052.238534 1284.508671 783.6456073 1248.795754 566.94691 708.9329294 1148.736254 873.2037324 1379.524206 714.0818948 880.267384 704.5931603 1302.273252 816.8462952 877.1269307 748.3355151 571.3068122 811.516945 968.2911942 568.7927125 552.5857991 1016.514146 844.3966683 1123.777367 468.475967 1010.658208 1094.066416 978.4819449 580.603034 874.656709 987.4834465 824.6887712 1172.376228 861.0389294 913.6134361 735.6362199 598.554359 716.7294414 778.0286643 734.3654927 789.5237418 1189.463134 571.3618826 1072.172906 813.6907471 923.2404075 688.8171382 851.9719076 827.2796309 911.8145524 1141.375251 Acetylagmatine 32960.21739 52332.08365 19602.9201 33759.17049 26003.36894 22804.29943 28493.32584 59126.01944 50449.25697 16088.17794 16408.69622 20960.37636 15661.74454 14315.85303 19576.46921 12958.10122 14789.10914 45461.96758 9614.867298 11358.19294 14889.15132 8052.706817 9260.790828 9621.969746 11897.50997 11736.91581 8006.535917 24141.61109 32772.53206 17962.35688 25819.05634 28547.27016 32967.09778 16810.23817 15295.77789 24286.44606 18973.33481 14305.62999 15939.16568 10351.76524 7471.28271 10632.24097 7074.581481 10348.97406 6859.217863 6893.228025 20626.01111 15408.33306 32943.25519 52176.06019 26949.15844 28028.63949 16846.79381 15450.0044 Neuromedin B (1-3) 8833.556866 28724.77127 11160.45126 3665.525615 6544.290656 6098.835593 5322.933851 10766.6876 5647.713314 24181.39488 27105.23003 5069.466862 30748.20653 11066.27637 8752.513892 4489.877229 8035.335573 8053.830661 7776.035979 5612.621407 10953.35503 11196.19431 6611.47667 7130.083935 7944.018204 11823.72912 8907.501645 9682.177246 9899.254972 11597.17533 12391.94275 10503.10375 8323.04256 15979.90057 7175.299956 20362.16413 8819.177286 9309.455021 10705.21234 5202.79171 7953.771741 9268.388081 2152.420673 11772.54648 15009.8395 6879.92474 4420.355195 6624.748563 12131.21026 33767.84249 13067.04696 7297.702633 14614.15117 2427.016734 (S)-5'-Deoxy-5'-(methylsulfinyl)adenosine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33391.38938 29463.10293 20020.90153 30547.6887 18362.9783 23313.84897 13528.50219 15464.91122 17566.07836 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21374.66467 21367.46343 17366.7251 18913.3604 19826.85094 19441.80204 30383.88215 19744.58032 10516.98719 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26318.54032 4.07813e-08 27637.09682 4.07813e-08 L-NIL 9498.645338 7898.567289 7391.086137 5755.710153 7296.225513 8766.87831 6638.395744 11336.97206 8388.408057 4429.889311 3607.72773 2420.136803 4676.0923 1792.045425 2876.653464 1123.501314 1606.275521 4559.002389 11139.34642 8710.075544 10893.71936 9064.84773 9161.866489 8941.850395 9416.180392 12053.37058 12583.34208 3202.180815 3258.912591 2584.308371 2781.022732 3280.221043 3639.313033 4112.964978 2129.87458 1936.959631 8108.970732 9169.11625 10847.43548 9124.262285 8883.03947 10222.60224 8260.551065 12664.11635 13571.47826 9886.346941 6878.973764 8117.246583 8197.982505 8538.123233 3822.808547 7202.910192 3244.628101 7595.562026 Acalyphin 4.07813e-08 1139.685028 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20232.0493 17505.85559 13453.20463 21455.73046 20887.51429 15852.51836 19052.42732 21937.76496 21655.90022 4.07813e-08 218.5928202 4.07813e-08 249.0950574 4.07813e-08 4.07813e-08 577.6957534 4.07813e-08 365.9371904 20429.38635 25695.68914 33184.04418 19514.77732 30096.98971 14113.56778 22754.21851 17645.98508 27058.06908 4.07813e-08 312.600732 4.07813e-08 305.5034704 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 287.5358177 4.07813e-08 1053.159471 4.07813e-08 27689.58117 434.9846855 22160.39021 425.7049686 1-Methyl-1,6-dihydropyridine-2-carbaldoxime 4182.516582 2654.686831 3834.676116 2760.379776 3142.282505 3255.947118 3207.52396 3475.9732 2564.917985 1020.291794 1462.515292 802.3808535 1555.968973 862.5346887 947.3455843 410.9901693 634.9254286 1129.133862 6737.857524 5487.622159 6304.428174 5897.355516 6198.461691 6666.465529 5996.140308 3765.222101 5660.282507 1544.716155 1959.980575 997.7594401 1774.688987 1464.649635 1761.077927 2536.764667 697.9677309 574.9516546 5057.787886 5041.464746 6578.741358 6573.777826 6040.022392 5518.405844 5820.056302 4683.486634 7651.014775 6171.290565 4245.493479 4867.300127 4535.356963 4523.402683 1991.895851 4618.977628 2083.187122 4335.219356 2,5-Dihydro-5-oxofuran-2-acetate 1929.34586 1956.592606 2070.092532 1670.015399 2053.685505 1681.649822 1674.284718 1860.343486 1067.524233 2383.941023 1699.898897 1662.028753 1901.122115 1989.73689 1067.859824 2022.792659 1172.714865 1192.270255 1053.814183 1792.307779 1106.573699 1510.976153 1360.490486 1332.825147 1469.070218 1743.886222 1644.503346 899.0003892 1449.94809 1976.322588 1285.201437 1427.802156 1781.721555 1195.208629 1318.873343 1947.769444 1142.745051 1139.144412 1401.065065 1435.241516 1260.298466 1159.079693 1122.02719 2162.475741 1329.178304 1185.49037 1229.430715 1117.669894 1392.579426 1324.264336 1876.168893 1019.970057 1306.737764 1960.991082 2-Methyladipic acid 2074.994729 3741.161959 3169.779498 2788.05499 3127.828504 2747.346884 1615.177042 2486.8199 1736.128144 1456.419703 1167.042667 1188.808612 1613.306998 1863.746327 1028.94393 2267.379513 1459.238732 1742.17729 2133.131149 2431.429945 2206.327621 2434.70337 2327.708354 1898.496578 2713.15962 2990.162642 2883.729708 855.8642208 1280.392749 1629.098905 721.5857311 1277.062206 1584.034087 1130.996904 1818.377562 1798.639017 1907.609304 2246.870009 2000.536717 1923.0462 2278.816764 2656.432976 2819.91467 3114.232403 3034.896528 1866.302498 1735.298217 1377.154862 2869.323521 3230.423506 1627.448028 1571.082393 898.784136 2166.511585 Argininosuccinic acid 5993.444851 4028.160218 5922.8928 4069.284578 3862.41977 6208.811826 7076.017761 4928.376263 3947.014749 1893.049911 1389.841431 561.5899098 2937.18302 637.3707597 1429.880901 178.0821343 84.77952692 627.9975144 15738.51309 14718.89368 14398.43241 12366.85301 17713.4945 14463.71125 10828.82425 14791.66247 15320.49316 1187.824684 1940.287154 1146.324952 826.7243958 3085.662619 660.3600598 3479.061641 303.5768782 714.7609704 8294.705734 13524.68845 10475.40464 13193.16498 13584.18146 14907.42998 10980.76448 16422.86637 20884.66035 8777.195478 7964.992802 8992.959549 9224.103034 6339.480463 3963.73149 9725.57378 1333.059859 9204.820992 2-Phenylbutyramide 9598.592181 9984.66064 10385.00911 9560.802478 10238.40169 10611.61739 10668.95967 9751.971151 6848.116015 3857.108316 3384.88818 3710.290725 4052.69471 3313.456188 2421.729556 1729.886209 2494.978362 2553.955243 18826.5177 17917.23316 15755.36642 17126.15431 17694.75751 18278.31294 14136.81008 18638.13385 18687.79124 2357.971649 4349.430577 4426.431544 2529.666146 5855.1511 4397.819105 4372.208216 2622.088151 3180.071631 11415.75953 14780.62863 12925.36881 17105.97329 18661.6788 16255.95078 17900.15451 21730.43446 24628.20232 15885.03959 10928.62706 12849.1338 10636.33892 11816.00934 5197.357679 12969.40123 3008.377064 14479.82305 2-Nonen-1-ol 12779.59797 13107.59842 13220.5023 13285.00547 13963.2271 10836.86599 11142.79508 10576.257 11882.72665 8405.331437 7596.407192 7119.592314 7947.816196 8715.920315 7063.503965 9455.31622 7179.004996 8636.368888 9071.675507 8857.828239 9269.6315 8856.986948 7990.389227 8041.615307 9111.389681 13173.46805 10535.11219 7059.2081 8697.156409 9773.789595 9444.495256 7517.427942 8331.415536 7307.47895 9715.131248 10526.15671 10696.88427 9507.364807 8903.947612 7180.653908 8667.885737 8786.227583 9497.192327 14340.03635 9860.250625 10580.3307 9334.758202 8970.958159 9151.259593 9982.571916 7431.02855 9487.101937 9513.531619 11894.50725 7-Methyluric acid 4.07813e-08 806.9161887 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2810.456308 3973.902958 3875.625692 3178.112457 5756.177921 2347.210032 2932.541531 3709.965181 2825.940466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3339.031742 4175.028361 7915.66087 5475.953219 11121.80154 3658.907813 4629.996128 4014.8159 7136.184398 648.9653797 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 91.01490455 4.07813e-08 4355.299077 4.07813e-08 6181.166505 4.07813e-08 Penicillenic acid 1709.780101 3890.053111 3223.682104 5632.496186 6423.290514 2898.519283 3755.977934 1214.744224 1082.811549 6699.186709 5543.982906 5576.244219 8634.794653 4639.534491 3862.628188 1947.161056 1460.858609 3775.975482 5695.590852 5494.493794 3465.014013 3391.713841 4475.811574 4115.577821 4165.159076 4223.827974 3526.567755 3536.9566 5733.287972 4408.056288 2681.256711 3480.377245 5349.698334 5112.323078 2578.036091 3359.238588 4254.363573 3528.993437 3046.563985 3238.056054 4457.868267 4659.822403 3788.345653 4491.624146 6043.863176 3281.648424 3116.071237 3275.200527 2976.092585 3753.777611 5218.841408 3770.870862 4003.619587 3244.392316 2-Methylguanosine 2037.552921 1448.587578 1587.546277 2911.093057 1395.123357 3447.774784 3264.442337 1751.76328 2100.485443 603.074499 367.6870443 436.8371547 285.2891866 111.4753096 4.07813e-08 18.84911139 131.4389243 121.7872519 8378.809177 4077.422845 4800.963843 2878.361444 6870.257938 12848.02223 5993.09845 1243.848763 1118.43562 112.6338901 993.1566805 441.2804679 524.552942 134.9449894 228.819947 11597.04619 275.6678861 854.0946987 3577.554211 5379.633113 4569.675242 24577.78157 1175.335406 2949.628865 10525.60206 51.07893915 456.5289335 2735.342571 1658.841055 2925.587507 1538.168173 1770.404729 166.4940466 2354.775251 468.7159797 573.3631116 3-Methylguanine 702.8432517 820.4496125 717.7287208 507.6539928 584.2668472 735.8734728 456.2510503 1189.958675 1014.08781 1139.328937 990.4167244 3941.205402 1375.40269 1061.191422 1998.400234 832.859799 1490.70784 1056.258357 1290.510083 808.6606135 628.7155468 425.6403089 868.727777 1606.429436 814.354554 4.07813e-08 453.2001737 1322.663979 1517.176687 917.5068572 1936.46428 907.7293319 730.2844693 4008.681894 2033.223761 1104.07921 553.3552393 786.24137 581.7817532 2717.711737 647.6934046 424.7619114 1496.357153 170.1675616 4.07813e-08 1498.138996 444.7770455 1683.397852 1361.366933 1233.518397 960.8998918 1762.994938 2315.497288 727.2188927 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone 3197.766443 3488.788401 3110.182517 3360.891739 3702.321056 3565.502014 3327.756825 3393.321761 2318.807906 738.5629283 1002.472446 1158.151094 742.7976928 1004.720728 1079.254001 560.1656325 142.5908277 1181.038028 6051.372248 4877.970357 6451.26357 4927.400611 6851.382906 6838.091928 5435.281508 6635.881887 6686.613447 1190.544565 1383.673924 1213.235441 1278.423842 1671.448754 1330.09835 1482.687893 711.3186554 1023.75775 4378.616421 5242.453421 5017.635714 5717.762712 5719.55854 5854.635999 6443.33422 6494.147231 7783.514408 4332.406138 3815.743186 4381.597072 3953.451304 3432.720225 2188.869206 4040.613587 1482.962978 4982.800974 Beta-Tyrosine 8894.774811 8358.529017 10289.6434 7432.375738 8050.752147 9004.542291 9219.468219 9323.666978 9164.869506 3714.206568 3319.41813 2391.27921 3520.54285 2135.367294 2930.971362 2181.446791 1640.277588 2690.05553 8928.140772 11454.95362 11310.31764 13278.21048 13344.69085 14231.67824 13744.51477 14438.62803 16931.63909 3267.602917 3431.388278 3539.490785 4336.78566 3808.583201 3293.972015 4755.65887 2436.275282 3707.829738 9838.812756 12586.39722 13000.0668 13480.2266 13707.10684 13477.64471 13198.98662 18769.40306 15551.25021 12977.58139 10594.7636 11749.79784 11109.00259 11836.16724 3803.294689 11683.80802 3644.848434 14834.62373 Histidinyl-Tryptophan 4.07813e-08 766.5989202 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56213.69556 55795.32967 31812.4448 64360.14134 29826.76383 40497.24427 28720.8864 32385.94278 55979.49737 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43304.79776 39853.40193 62846.60994 26756.14944 66569.40048 38203.59255 44435.74612 13241.61298 48967.51783 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2695.910957 62173.62424 4.07813e-08 59482.44854 4.07813e-08 3-Hydroxy-N-methylpyridinium 1159.907158 1073.122595 1401.790024 999.5057273 1213.170112 1098.814869 950.6411857 1357.169391 936.9555139 781.9119711 784.695928 565.1609071 879.1545717 840.4959487 589.6013642 994.8348437 641.5963072 942.3468909 912.9869981 618.9907985 671.384704 680.2508443 765.0912963 756.8541015 908.0683893 1017.794791 1078.003022 791.9610068 960.688327 983.8079081 977.0898286 855.3300347 765.327274 1002.634506 727.5040493 801.7311239 856.625158 783.1640512 842.312659 737.839617 682.5452049 822.3710497 793.7181827 1044.832396 908.2361588 960.8251626 791.6016956 821.298291 915.0190213 960.4814322 892.4333091 1107.455727 909.8024251 967.6437731 Isradipine Metabolite (3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-, mo 4.07813e-08 160.0375913 4.07813e-08 312.2853674 234.4009677 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 129.6950069 114.7285037 1.612576507 7.241668144 4.07813e-08 456.4249453 104.0562045 4.07813e-08 4.07813e-08 2869.43358 2803.013238 2094.080617 1299.51 756.2644117 1708.459846 2256.762652 2256.677919 1343.208769 231.1663949 332.2429473 119.0429053 240.961793 459.8046192 440.341817 484.8457743 4.07813e-08 4.07813e-08 1682.786609 1931.838366 1428.81646 608.6090404 1580.096939 528.3564765 1593.052678 2815.143631 2152.507042 642.7415728 1908.613224 879.3503573 422.1853479 1151.370772 540.4309867 717.7645259 4.07813e-08 622.1156007 Dihydrodipicolinic acid 3354.923126 2457.980559 2262.736283 2019.288969 2197.994802 2923.856892 3001.091753 3141.480576 2343.634564 1769.035931 1148.359997 833.0636444 1427.596366 570.9452289 984.0065215 586.1809761 667.3263766 880.8373689 4797.220193 4772.340219 3804.714537 3950.845538 4653.691264 4563.669054 3892.82453 6177.675972 5568.183158 1100.920019 1344.788527 584.3507001 1263.02766 1353.014294 941.2099229 1586.604019 257.088735 1091.150019 3277.778147 3839.337982 3892.632043 3812.392376 3945.444988 4232.020276 4236.557637 5830.530787 6269.594993 5472.589575 3303.175085 3578.572764 3017.613437 2915.033547 1479.616758 3944.561678 1070.237978 3594.593346 beta-Geraniol 7987.60415 7821.84299 7018.603004 7300.626015 6971.77068 6724.343506 5965.240417 6732.129191 6152.558208 4412.268249 3686.780358 3980.991929 3595.797981 4511.116092 3378.248076 6232.750872 3849.608008 3714.664322 4878.191543 4729.735296 5039.279146 4376.950203 4320.057119 4494.008089 5115.310009 14925.67124 5789.314211 4085.401145 4366.370401 4593.905635 5243.225493 4399.457815 4154.069599 3545.354586 3961.244048 5486.339549 5702.358967 5319.962493 5130.755994 4027.037001 4979.810501 5142.316515 5049.179152 17559.4961 5487.760662 5537.108888 5204.069119 5343.614333 5676.837557 5971.903698 3497.346921 5608.582556 5455.752484 6754.335238 Pramoxine 10298.54055 9116.421426 10973.74176 10695.53511 13149.29713 11696.59616 7977.545736 6831.173024 7238.901143 2699.387301 2996.651621 3483.965902 3035.190611 3345.544956 3506.056621 1459.772371 2831.929149 2776.901384 27953.09272 18131.02605 20314.2664 16687.00601 19739.40757 6906.944276 17830.11982 24740.08965 21308.76091 4271.840095 3721.373798 7673.281449 3365.155222 8626.462983 4980.307109 4376.609835 2238.200902 4126.126623 14253.5638 16189.13314 15979.92515 19895.01625 20183.28177 21244.34511 6330.449908 24491.33864 25176.80836 12328.08753 9950.822775 16847.62072 15175.42746 13818.23262 7347.782437 17787.42274 3486.514984 7062.745716 Phenicarbazide 978.0877899 634.5971198 983.8146233 632.4485957 704.9689918 451.6014597 414.6730609 440.5873752 546.7582198 563.193369 423.4359729 254.7683737 315.2398361 398.534524 371.0835377 474.738721 326.5632319 325.4869182 741.6577199 640.7738714 589.5831984 800.6994478 521.6831168 745.3869809 902.3735086 960.3927018 780.5936277 327.5015029 236.6856246 507.665237 495.2741005 671.7026679 647.8546838 443.2916438 453.7900137 529.1043239 512.3758637 805.3617658 736.6639104 557.4736252 716.1707904 647.5259888 594.6181999 536.0181893 708.2181681 455.8205212 515.250533 636.0620155 374.5513963 427.5084527 374.0165218 668.1824166 530.3718955 894.0245154 Encelin 7242.411486 3994.925559 7606.953652 7829.012404 6063.765005 3535.1587 7081.397979 6799.741403 4404.726416 2758.052174 2261.325676 4427.472542 4131.048039 4051.447348 3963.776202 5017.054097 3163.596487 2688.381393 5939.654388 2574.95501 3608.049325 2768.841836 3124.958113 3621.104258 2977.618745 3521.076077 3430.439605 3676.315257 4887.94819 3903.688221 5083.064373 4102.690447 3049.869129 3687.79432 13627.33785 6333.313464 5252.941825 5969.831513 3788.563705 2925.555597 4228.010583 2493.566031 1867.904756 4794.481983 3285.477722 4156.525012 4474.055846 3195.794827 3588.455004 3257.222756 2308.92919 3624.736494 4206.44934 3340.462991 Aminophylline 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 319.116926 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 580.6038581 4.07813e-08 2101.409213 2101.78539 885.7724433 21166.67222 1647.569493 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 204.8883074 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7766.627087 268.4348442 2204.703612 250.6311713 659.0780364 2482.830861 6782.085065 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 471.0559319 4.07813e-08 4.07813e-08 4.07813e-08 (9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine 4.07813e-08 561.46633 944.8025872 430.9894236 0.017586066 909.1185346 184.0418387 674.623059 4.07813e-08 4457.588047 5488.943307 8967.538716 2945.517614 16125.6376 17377.433 5049.356259 17962.85996 4547.239991 4.07813e-08 298.8953477 4.07813e-08 739.1409001 390.490117 1279.929066 4.07813e-08 4.07813e-08 140.9801534 2956.009703 3643.008939 11199.99139 6481.887166 5629.786517 2896.14219 4248.343399 5876.226643 8295.851303 1213.686608 114.6780526 4.07813e-08 4.07813e-08 233.532186 174.1539496 1000.202898 4.07813e-08 609.718921 290.3200634 680.6729623 166.6495447 224.8233421 337.9094704 3076.369152 4.07813e-08 5955.791053 224.5320087 Nonadecylic acid 14784.5536 13969.94675 13837.80809 12628.3043 14105.53691 9777.164122 12188.02632 14020.50225 13600.87029 10367.03126 14769.18954 9120.52597 9604.024321 10913.22567 6890.319963 13416.6231 8088.926654 9593.017846 9035.177913 9956.86927 8399.531132 7795.159874 6608.497804 8796.120516 9114.513372 10175.65596 9692.284729 8599.975033 9768.918169 9819.86835 10571.1622 8515.320122 8390.716566 8204.0165 9777.144733 12069.79295 10788.60411 8170.944682 9396.488276 7569.504239 8260.179009 9043.535842 8735.006654 10457.985 9560.560689 10073.09424 9166.038372 8973.829991 10302.19259 10307.87921 8784.169659 9994.308567 11948.94604 13064.56731 Tricycloekasantalol 7351.434783 7271.456699 7518.765098 6792.182191 7433.192782 6127.136333 6955.035853 6634.501903 6874.412892 4026.5273 4432.893834 4308.272043 4701.23331 5246.303012 3930.091606 6195.437416 3935.540949 5394.426511 4510.313152 5798.061894 4147.578791 4840.977438 4910.735582 4475.08384 5438.704426 5671.422399 5767.612469 4633.812685 5090.982627 5733.844228 5825.454831 4837.01791 5445.356011 4253.012545 6613.747932 5555.08781 5946.890682 4867.836957 5214.624893 4537.970257 4324.222731 4913.360454 4743.815835 5892.501342 4634.061004 5032.035425 4632.982743 6431.688846 4883.684064 6272.700991 3829.20003 4442.759153 5986.147133 7027.610867 LysoSM(d18:1) 1223.418829 1973.755169 8208.757489 8037.392178 2780.490016 13180.4375 12063.70311 1545.169131 3210.046899 4.07813e-08 107.0569164 4.07813e-08 4.07813e-08 4.07813e-08 94.71188256 4.07813e-08 149.5128736 138.0818236 13018.68654 5094.697374 11510.16839 21409.75359 21010.0172 25966.57134 11888.3606 1570.76715 5125.312603 182.0003538 122.0881922 4.07813e-08 323.3092464 4.07813e-08 4.07813e-08 4.07813e-08 201.4576318 4.07813e-08 13598.12824 11384.69066 27576.98722 17823.60682 19973.96301 21789.35031 22875.9607 2096.116814 4862.272151 13860.28091 7416.172667 17929.04754 6891.37099 2256.709905 4.07813e-08 18570.28855 4.07813e-08 780.5952219 5-(1-oxopropan-2-yl)isolongifol-5-ene 4.07813e-08 372.9942336 4.07813e-08 4.07813e-08 65.96757908 154.925036 4.07813e-08 248.5086695 4.07813e-08 6897.752845 844.0674781 15661.17878 5227.975311 14541.87713 18698.67943 6921.946994 27567.45716 10272.71238 4.07813e-08 348.3244302 180.9417322 4.07813e-08 4.07813e-08 104.0287184 4.07813e-08 4.07813e-08 4.07813e-08 4549.748554 9555.599256 5949.563269 10288.93773 3212.848221 3703.270276 11635.85325 16061.96445 11298.29248 4.07813e-08 112.2524531 52.50286387 98.32761007 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1637.566836 227.8083612 187.2704445 4.07813e-08 3360.730329 442.8016524 2782.044466 220.2470107 Avocadyne 2-acetate 40314.14001 37309.30647 37532.77274 34170.01349 37983.52252 27547.18755 32582.13499 29983.67062 33675.35339 22654.04225 23997.9002 23832.6662 23716.46157 24631.79149 18808.57359 26042.39951 19900.13141 28115.5516 22772.44103 22744.97384 22492.13219 21674.83526 21314.95295 22465.0462 24993.71813 30171.16564 28897.29372 23399.02168 25132.52066 26902.83126 27368.02734 23911.83248 25721.19525 21117.01576 22883.34029 24233.58146 27614.96917 26089.24126 25014.62838 21885.08539 22051.02887 23312.04967 25293.70758 31654.84345 28938.4757 24562.43956 24734.89689 21461.85268 26586.13388 24467.87346 21034.92623 25219.87433 28213.57332 30749.73158 4,5-(methanoxyethano)isolongifol-4-ene 3691.173231 10277.02889 20504.28859 14807.27994 14941.00564 27252.21696 22273.99135 21322.82239 15891.18129 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 161.879474 81.8367664 468.3935825 4.07813e-08 25092.37094 24196.94074 20032.38125 15283.26765 13897.01209 15980.85802 13609.73414 10972.52416 4109.638472 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80.46230798 4.07813e-08 4.07813e-08 4.07813e-08 16787.14557 7319.765875 15625.76182 9933.431447 15714.72762 9691.100273 11496.51527 9955.875991 2618.054058 52444.11848 37573.62204 29546.71971 14142.2754 8502.988672 919.3057216 26754.40004 167.0161159 19082.74268 BISSALICYL FUMARATE 6582.894332 17612.26849 45730.45469 30392.84855 28204.52938 64275.93703 46048.98787 42223.63082 41987.54963 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.1113077 187.9123135 321.6948443 4.07813e-08 51321.99411 48172.04532 38067.83142 32305.18465 31553.58141 35992.93058 28215.64792 26761.84839 6579.226867 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 388.1978778 4.07813e-08 4.07813e-08 4.07813e-08 38286.29758 12585.86335 32524.45704 21246.46508 32422.71555 20041.94371 24973.70051 20853.82964 4685.753855 103462.5965 86084.88184 61028.5498 33147.58137 17604.87524 2126.043207 51566.3478 142.2211115 39694.32723 cis-5-Tetradecenoylcarnitine 21354.20991 25292.05278 25693.50675 26641.83742 27563.73804 21551.76939 23901.70129 16261.17188 23233.36063 24653.39492 18581.88993 16980.38369 21334.10424 19538.96555 17105.85646 18204.537 16301.04041 16180.97328 24225.65458 26662.20811 22125.79766 21218.53099 20921.56358 27536.20965 17244.15167 32851.33095 21670.3858 15918.01315 20704.42892 23319.46368 21782.64882 19616.61763 16815.5257 13687.4936 32408.33573 21523.65648 20937.9634 22861.7023 23444.32248 22224.86304 14076.97106 14324.04541 21173.14215 31358.10831 31861.41046 26424.49196 27669.33705 22960.50393 11164.25413 14821.39193 13054.94557 20983.33914 23071.33831 23504.75805 Methoprene acid 79462.14209 82152.4929 76987.07587 75546.45152 68259.5971 60661.79901 58600.90923 78139.16328 83974.38885 75054.75257 59178.05838 53437.91096 63036.38368 56737.66402 44100.49364 78720.97769 59128.94188 61248.4492 54111.05229 56193.76077 52085.15068 49049.09551 44563.99034 45470.18448 62164.45806 73392.52727 59876.62342 48530.63847 55452.24651 62360.69718 60042.90251 50971.75384 63987.27738 54300.2155 65515.24354 67668.88466 60069.83388 49870.35151 50637.72291 43378.49164 57573.12418 58294.71213 60812.74364 74681.3513 60065.70287 54164.59008 54874.72725 52560.31567 65587.42408 63735.90429 54564.33042 61178.39688 76068.85214 73903.36202 1-Acetoxy-2-hydroxy-16-heptadecen-4-one 162.2201714 464.739809 4.07813e-08 873.0629837 561.8413874 1455.83693 598.7115478 164.9580805 1587.401283 408.2145607 115.7207017 4.07813e-08 4.07813e-08 4.07813e-08 68.69830064 4.07813e-08 126.6828027 4.07813e-08 3589.749732 6990.96784 440.9177714 1047.182695 990.1489898 2130.210973 2135.302434 4.07813e-08 144.3747099 4.07813e-08 135.9568878 99.36717088 142.0621476 178.1330029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 729.4594508 100.7205893 318.2244335 739.5601095 256.4692978 1300.514475 4.07813e-08 442.203375 1156.647634 6112.117495 2157.873065 4.07813e-08 4.07813e-08 246.254939 2010.286813 4.07813e-08 4.07813e-08 4,2',4'-Trihydroxy-3',5'-diprenylchalcone 10441.52848 3452.924397 12016.04012 7914.926566 2942.551712 23557.3781 19480.03937 3151.910788 4083.415449 19567.04849 12936.089 2962.710067 13559.01484 4666.663809 8674.062322 10251.74731 1725.156374 5257.258947 24163.73082 19047.00456 18487.48935 26765.27327 20256.30515 30573.64342 14928.3178 57714.00354 36872.42512 1011.394455 5913.932546 9844.634254 12932.03436 13163.65479 4460.41087 8893.105329 1439.885797 7716.82197 31274.29095 20728.84166 21431.34312 15325.51607 25191.658 13027.17158 28288.20864 44510.19966 35117.01849 11778.33925 16069.67399 27742.34223 14122.41583 7573.055042 15536.84401 13505.2944 14176.90364 14469.15993 delta-Methylionone 43930.40755 43130.69056 46731.12557 42628.00819 41997.45389 37539.6791 37893.55561 36884.54861 37221.71519 39430.47961 40269.15073 30516.12065 39327.93411 32868.50998 26642.92512 56641.36124 34814.8677 33536.39058 30336.81863 32879.49584 28875.15843 29993.48555 28478.55653 29625.9096 30647.27037 42601.90838 32806.19309 28088.96622 34123.04635 47598.38645 34980.35547 35531.24131 35551.7098 24964.17889 44033.42819 34246.89152 32783.59339 30064.55316 31059.38486 28212.48386 25181.66852 27962.72975 28260.8095 41734.69117 33198.52387 35492.91605 34330.63284 33578.49187 32129.76884 30917.32276 24635.01023 34548.57109 43163.66989 39830.88598 4-Dodecylphenol 11259.0953 18206.81177 10619.45262 12459.63905 10297.99659 8265.922456 10711.95782 9880.181293 9699.697016 7748.86974 6918.438882 9140.209556 7549.473025 8813.97401 10362.20433 8343.468628 6579.859403 7828.119093 7005.96774 6496.636594 6659.898548 9340.241938 7296.324448 8030.20856 6686.732274 11824.16988 7088.517326 6960.41147 6982.581108 8887.547764 9144.22532 6970.007222 6636.755379 6321.64979 84001.19304 9685.346825 9527.633736 6367.048825 6801.646923 7196.145119 7326.847835 7867.631097 6644.025125 10043.59667 8698.686877 14912.15437 7304.130901 7843.729915 8051.532303 7772.450675 6212.619912 13110.25554 9114.496352 10059.88719 2-Ethyl-1,3,3-trimethyl-2-norbornanol 20052.92279 17841.62093 18477.49856 17650.30291 17424.84384 16177.23227 15995.38162 17323.45385 16962.90949 12375.17582 12258.09467 10855.05823 11748.47799 11403.75005 9823.218223 13941.22946 10125.54649 12702.83734 13040.12141 13514.43333 12203.37726 11803.43839 12078.96187 12973.52248 14084.16258 15185.78781 14542.57483 11040.10229 13009.5964 15239.60635 13625.24737 12743.18413 11238.72581 10852.13988 14073.27152 13694.13238 14205.71077 13750.2581 13297.63534 11256.10143 11203.73718 11769.218 12345.70305 15230.03066 14794.15041 14258.43264 14160.22194 13141.18646 13072.39164 13955.50741 9942.967078 14580.5178 14569.33026 17618.83259 Farnesal 31592.6474 31123.08462 31902.69669 30036.4919 29850.96063 27378.1223 27632.20929 28309.69194 28490.67731 19835.83298 20077.87458 19181.08622 20410.6942 20645.77875 17252.27407 24639.96764 17283.47555 21495.79576 21026.21746 22693.77152 21457.20367 22627.34423 20449.08606 21667.40946 21874.01594 24909.37771 24827.95448 18585.31833 21832.21003 25153.76231 23457.52417 20701.9897 20578.20111 18710.3415 23603.02636 22648.51169 24235.79491 21995.85375 22872.89845 20031.98909 19810.19028 20436.91259 21151.53727 26266.10515 23827.10752 24040.0604 23848.77493 23574.73065 24157.38646 22951.72244 17749.50164 24075.53695 26323.31482 28464.29484 Erucic acid 40868.76491 40333.54376 41172.71534 44358.36812 43040.83555 39043.04701 39982.46592 33163.91586 31571.85245 28641.91985 29076.05127 25914.49966 27914.16979 32187.33964 24038.18083 32386.07381 22672.35015 27437.51532 27509.88823 29322.95935 28846.41365 28442.46969 28931.20035 31872.5 28028.65628 31826.85156 29688.76663 26012.82655 29289.41329 32429.45698 33034.35849 30664.17525 27479.45521 21538.15373 27982.5216 31921.75598 32153.03295 29157.37617 32872.68546 28116.2067 24078.65426 25916.94638 27861.47616 34484.84843 32506.17324 34472.07972 33254.47755 33018.3712 28444.50746 28045.4954 22955.13122 29947.48775 31882.76872 38205.52928 Macamide 330583.1958 315289.1804 295625.9101 281108.7645 290563.031 220750.089 224252.7953 326790.3806 322811.0241 216133.5161 196775.0573 180366.0237 185097.2101 191878.4478 136312.1625 283643.968 210571.2712 230017.2989 205744.6759 201857.5772 184026.98 179923.599 164813.212 160541.4345 257332.7033 261716.3085 252440.2975 178089.3503 195134.0441 213103.8325 195303.8054 170852.7742 237653.2395 191727.729 231191.6501 247736.386 229166.736 185112.2543 181073.274 160401.4303 216845.1426 225291.1447 231444.1702 282032.5777 229817.47 223767.944 205470.5202 180886.1329 277118.5169 268184.8079 188829.378 235428.1685 238873.79 271847.3607 2-Imino-4-methylpiperidine 43378.60212 42666.72252 42706.33913 39950.54207 38916.63169 33537.07583 34648.17055 39268.48206 37061.6455 26924.41152 28004.98189 25089.84349 26174.75642 26757.85596 21312.87077 33499.42749 24960.81267 29036.3232 28518.0764 28130.01217 26548.12016 26148.95049 25792.03704 26540.29871 31997.31567 36037.74708 31998.21337 24235.69309 27880.23176 27993.70259 29949.57506 26321.64523 28173.89446 25411.72088 31368.651 32380.19699 32821.30009 27989.26993 27715.92006 26040.75869 26882.85939 29803.3575 28916.04908 35846.20774 32183.99357 32211.51003 28806.31517 29207.52268 33248.01811 32823.46096 25300.25251 33598.69313 33747.20882 35913.90629 (-)-Hygroline 22577.77006 25302.16633 24960.31119 24357.65794 25080.44619 22837.22083 23766.16092 19672.75647 21076.1338 15664.15243 15641.95122 15123.03297 15927.26647 17579.84624 15294.70559 15789.42841 13000.09646 16926.82488 16957.09408 16290.95993 16018.39504 18352.01287 17988.91426 18526.45057 15906.57512 20350.82899 19494.28135 14541.16074 17085.48328 19610.48771 19833.86359 18693.30483 13697.08682 14401.44346 16309.72047 18451.21104 20833.95398 17564.20918 19672.65326 17271.55459 13472.53684 15097.31044 15160.35052 20246.9909 19372.77226 20851.01383 20645.98433 20115.47721 15565.53227 16015.77283 13200.73147 18123.34466 19343.3252 21840.21087 Norselic acid C 547791.8321 573463.3413 561340.3767 534948.4344 515897.4167 495503.8701 518812.7996 487015.9632 500346.4982 382264.6301 351259.4184 345106.7409 343427.7897 407255.9251 321825.3268 464431.6251 329173.8508 385499.2232 371530.5193 375204.0122 369487.5425 371178.1084 365168.319 379576.2119 410802.3308 446454.8244 423033.0645 324090.0926 363838.045 405845.189 420234.5451 381512.0851 385457.6959 314572.9694 396975.29 421762.1893 422729.1492 393922.9001 374843.8104 364806.1492 323530.0489 375535.405 377582.948 450793.1675 404239.9417 473075.0168 453418.5538 419261.0498 415041.4614 422756.8771 311308.8624 388940.4561 409953.2986 485874.8935 3-Dimethylallyl-4-hydroxyphenylpyruvate 18091.36434 8603.212013 15779.63801 14629.09791 23859.13374 17906.91115 26045.02559 18786.92195 11037.55034 1499.320794 392.8806543 1993.124354 268.2887728 287.6615428 351.5352478 285.1212361 2895.036201 198.174016 26014.41005 53799.06984 10164.28337 28827.35382 59659.8716 63464.31377 43881.69838 39806.49572 55593.8054 3439.274586 299.9193566 1018.294307 1883.68848 709.3491377 289.8722391 583.3484601 655.3363173 858.7453112 21237.30427 30668.3619 11158.62873 29806.97607 35053.11195 46100.1313 53375.01073 38355.11138 52623.95278 40954.55595 29230.56814 20089.93219 12394.77867 9862.96273 334.4901332 17021.42766 1324.417484 40176.0774 4-Hydroxyphenylacetaldehyde 3599.530591 4323.040066 3812.200922 3263.94773 3679.341333 2933.136209 3633.919541 2927.116253 2677.506065 4305.721739 4579.111909 4602.895016 3883.197803 5003.468357 3783.031737 4405.104273 4709.672712 7171.028772 2433.308531 2482.777983 2126.342909 2405.746702 2225.978958 2232.637961 2522.911595 2931.159199 2765.355866 2221.73856 3577.86402 4573.187403 3752.27078 3537.537546 4052.86361 3049.471603 3864.72693 4417.518951 2954.143307 2550.020057 2671.803921 2358.141402 2578.641369 2715.283142 2195.580943 3632.647132 2408.225762 2540.081426 2274.698058 2272.358344 2770.980064 2373.909074 3180.680125 2531.156424 3224.288095 3188.476594 2,4-Dimethyl-2-pentenoic acid 4016.372569 3623.301644 3370.057398 3490.480297 3796.087164 2883.978807 3210.153096 3807.436737 3968.491601 2312.553263 2492.899958 2235.643687 2307.647695 2316.346338 2021.461537 2669.997919 2490.903883 2593.232677 2461.654476 2472.161462 2357.928793 2450.501627 2178.440153 2441.497396 3270.717678 3037.362683 2417.848554 2273.240214 2368.592524 2489.693623 2658.124369 2726.048321 2924.786295 1995.698825 2600.728534 2922.388429 2713.383936 2587.494375 2517.243239 2338.894061 2504.063544 2568.732774 2495.71787 3328.959066 3129.561238 2868.53141 2698.863623 2702.320677 3175.043263 2582.765179 2484.876506 3187.02374 3035.743229 3453.807948 Glucosylisomaltol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21048.8705 25796.67075 1914.339963 20780.97379 4332.720474 3756.507115 2051.588081 3024.341774 7949.049555 4.07813e-08 69.28092734 4.07813e-08 68.23969618 160.5410818 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3372.748047 14704.39961 14465.62044 5825.631586 7522.162323 14296.13812 7044.704233 1759.532728 1423.193325 149.6317843 4.07813e-08 123.0069356 4.07813e-08 4.07813e-08 79.33587783 64.09528221 79.62639431 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88.04307847 352.2985801 5365.031918 4.07813e-08 6583.463936 305.6969589 N-Nitrosodiethylamine 3071.210943 3537.525146 3352.304025 3183.397979 3697.293906 2870.68926 2695.111226 2913.892222 2942.29823 2024.969095 1913.38325 1903.313811 1823.650557 2402.701596 1646.849068 2507.177801 1757.096512 1909.483557 2411.266437 2127.011289 2076.822984 2402.365489 2028.94338 1958.184438 2638.440375 2794.445142 2745.059749 1353.818967 1926.755132 1993.936019 2034.132942 1959.727304 1996.057555 1701.56256 2090.326853 2512.566554 2298.443041 2365.11485 2260.877674 1926.105683 1990.873256 2101.991051 2145.72528 2893.856961 2843.237646 2621.221997 2208.04496 2154.539553 2371.910616 2310.780663 1884.398656 2390.227089 2703.875409 2500.940563 2-(Ethylamino)propiophenone 3787.253582 4219.587268 4084.765066 3929.764117 4189.853202 4383.951626 3742.818591 3487.856928 2906.193927 1382.556291 1559.315859 2072.380051 1641.731561 1776.934437 1373.429818 1584.80176 1036.447331 1372.432484 14073.35366 6831.739383 5951.684945 6182.762118 7564.099294 7309.348507 6465.561656 8190.877509 8533.182674 1478.091467 1845.742369 2552.989433 1607.432638 2516.323308 2759.470278 2181.169509 1312.281026 1523.83921 6753.050329 5704.652854 5162.285839 6785.628101 6273.147184 7511.811492 6970.906996 8349.507944 9695.414847 6037.969275 4822.016995 5335.026265 4394.150087 4034.600691 2869.296051 4478.310992 2230.946875 6426.034528 2,4,6-trimethyl-3,5-dinitrobenzonitrile 1849.767843 2489.412235 3910.277153 5693.478979 3402.493962 1467.485783 1803.619146 1416.719157 986.146405 1006.30904 173.1885824 4.07813e-08 1302.677308 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3662.831828 8107.343935 5032.083181 5360.526235 8410.671923 6987.485807 10159.35061 4641.561414 5155.28155 1397.299056 117.2495277 755.7891763 71.34641139 4.07813e-08 365.8427904 2618.595982 511.7583779 1051.694174 5087.561595 3950.931276 2746.314673 8452.953576 3191.422497 8591.6624 5886.012017 5959.308591 1855.742746 3054.025594 3793.956853 1459.134441 1817.682879 3005.555093 170.1419048 2599.487451 2114.996225 2811.804199 Stizolobate 2646.104817 10088.26886 90.81970801 2382.42531 210.3341466 154.454341 2978.238385 2717.2537 650.6719651 9635.895481 8369.933625 9763.040069 9524.913292 10046.96979 12574.87554 8033.01833 1681.191622 11262.04468 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 530.1267286 11212.50964 4.07813e-08 17711.18305 6831.865086 13328.53366 7068.781157 13536.66113 13805.38015 8910.945008 6978.068257 12374.82804 11858.85718 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1813.134145 4.07813e-08 1062.104102 333.0730936 4.07813e-08 4.07813e-08 654.3149222 2440.728295 7416.173507 7118.916033 1897.810442 6720.339772 885.274223 Ethyl tiglate 4349.003719 4246.911973 4026.997961 4297.366228 4058.251747 3312.149215 3540.495483 4133.991822 4525.05716 2628.59577 2648.855412 2485.335951 2594.613477 2644.329194 2399.688622 3401.059024 2586.089663 2890.671333 2799.950429 3151.801538 2543.530936 2910.93187 2546.8884 3009.16487 3172.311439 3488.624946 2872.847799 2459.145758 2873.414198 2847.894902 2920.219239 2467.141982 2974.980566 2649.865823 3174.851906 3254.111874 3101.029704 2893.531384 3007.883988 2488.13999 2529.290091 2692.148358 3037.220489 3544.009426 3324.667651 3448.257167 2844.5353 2865.375669 3703.259526 3183.565776 2163.238322 3167.745882 3787.784677 4000.396803 (R)-3-hydroxybutyrylcarnitine 17084.71673 13414.27318 14870.01396 21194.67217 14849.09893 11476.81298 16841.33694 30107.16996 27486.47843 696.0212534 206.5527897 1397.40429 752.7159734 1429.984308 803.3260589 569.5365456 892.118552 3650.981091 7889.540124 9895.026852 12275.86978 3689.53449 9326.236411 5391.359372 4947.756771 2884.172148 6392.584091 1730.499629 1016.00951 1356.429205 2281.227031 1627.782019 813.3398993 1023.076095 947.9275492 2190.755844 9454.41767 9402.790574 16075.02792 10804.82313 7832.84034 5862.882244 8800.176733 5573.776493 721.413491 15417.44105 7951.835152 21366.64109 18973.26973 16769.58493 1571.155772 20351.49758 681.085149 19579.34341 (2S)-2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid 4440.177784 1844.819025 2522.468436 1204.752571 1626.655456 2876.401872 3137.459743 2967.550318 3430.986999 516.4630131 514.1734879 4.07813e-08 463.5361916 239.8609482 468.3482731 88.68190432 107.8205561 126.960606 15019.82365 14075.00196 10950.15197 9900.041916 14424.05625 14978.3936 12084.19199 14127.70721 14029.56686 883.0908082 538.6912805 219.9973622 559.0768007 1010.722085 288.8316647 911.2963524 138.7503242 4.07813e-08 7526.07577 11055.7231 10428.7254 12006.93492 12003.19385 13522.7079 13012.30131 13580.23125 18434.09425 8726.159592 7871.558575 8410.787429 7487.023287 7357.512292 1167.373295 9009.774136 1049.446833 10013.10375 2-Pyridylethanol 486.2539935 843.7159314 393.4287764 720.262603 559.6475425 459.9783843 743.454022 601.3615445 575.4598421 516.7880424 415.3627757 504.5828687 563.9434685 445.4126596 501.0346043 413.3930412 315.043498 513.4838457 408.1501385 337.2790251 539.5358637 269.0709428 302.4117246 318.2592615 314.8560931 644.4676324 346.4251968 420.0587106 552.7993868 526.1573469 499.1423854 448.7364478 373.9553988 585.2696479 491.8712692 458.8688969 615.5244458 460.756573 530.5232084 317.645276 450.9479902 503.588838 512.4129722 591.6205874 489.317658 306.8594302 396.0841073 417.0122126 461.9725002 731.4675476 352.9073468 472.5360309 513.8021521 146.6635441 Avenanthramide 1c 94.18990082 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.4767096 284.3302763 4.07813e-08 321.7712605 3099.45262 272.8078656 215.7064524 4031.887694 203.3201097 568.9482944 4.07813e-08 4309.761481 1650.865504 79.66056668 178.2902467 83.74425091 201.7347447 69.01621335 201.0480061 68.27183408 4.07813e-08 168.0162016 243.6719166 1553.435461 506.1248299 1102.799016 1275.353581 4608.538839 6435.975374 848.4103577 1810.785515 73.20416891 4.07813e-08 4.07813e-08 346.7082314 4.07813e-08 514.8204215 127.2658813 4.07813e-08 4.07813e-08 239.6411893 4.07813e-08 203.0800102 974.7298521 353.9751953 8043.536666 527.7070994 1115.550837 504.0681203 5-Carboxymethoxy-3,4-dihydrocarbostyril 104.3132472 895.768237 544.3411439 799.0901067 1272.141003 55.69151063 75.57022483 212.2530877 705.2941425 1894.925042 1875.395586 2535.165574 2011.961197 1244.013031 2015.963655 1219.94875 12477.95727 1999.751578 274.5347875 604.9470642 480.9081514 901.5436428 499.1468291 546.0178143 1045.828944 3203.530645 1335.830882 1762.355113 2936.202769 2908.980912 2268.81913 4313.951846 2149.850982 650.5083268 4089.105269 2391.509608 664.0280887 468.2870309 532.6499501 469.2849607 467.624458 467.7352878 317.9054668 3554.264621 693.6733196 205.2502387 795.4304772 203.9548196 598.8540905 586.741346 3752.95528 41.8860317 2323.896943 894.8834034 PI(14:0/0:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12164.40373 16911.94307 12924.41593 12990.25534 31513.49845 11385.57875 11229.67111 18451.22029 28433.96443 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4608.884618 15370.57251 22966.08288 5353.946199 45234.82545 14693.75791 9730.109177 3429.560739 18474.36863 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26965.8974 4.07813e-08 194.4106486 4.07813e-08 Phenyllactic acid 8317.37155 7929.258946 8078.972504 7685.064312 9185.1456 7205.85087 11533.82302 11349.38064 9121.63735 3214.920163 3093.44553 3025.94916 3267.414123 2842.264874 2520.746431 2977.532879 2766.079774 3451.727734 7896.551168 16380.01864 5687.081881 8432.061373 20056.65089 28722.52165 17883.83552 12933.76987 20059.32925 3069.204662 3304.08706 3676.597284 3139.935515 3476.088655 3162.522903 3192.083964 3245.510037 3420.042224 10034.29991 9781.43361 5779.856871 8254.704308 10336.19804 11875.29245 25107.60382 13790.72641 12759.85047 16009.91416 11900.1647 8046.258946 6438.231242 6237.684454 3561.784685 7133.482859 4208.310221 20191.52474 Oxidized-adrenal-ferredoxin 2342.853373 3565.182163 1824.121387 2002.162296 1591.945989 1871.422591 2101.580435 2795.866781 2126.314504 14386.44667 12323.42041 7727.68182 14018.89005 7672.778694 8018.318961 6679.041773 9430.258471 11642.8033 1417.803698 1509.2183 1649.911755 1337.864165 1261.877137 1097.817613 1706.314539 1445.592674 1246.218867 8413.598679 9932.962442 12077.97035 8846.656219 14365.82598 9290.336608 9829.461675 5823.158634 8884.380943 1493.224092 1279.759452 1598.433008 1461.301264 1382.705426 1265.249117 1241.360202 1901.565394 1316.187273 880.7569598 1315.604011 1293.378244 2239.713137 2788.738248 14993.93143 1897.285366 12799.83718 2051.72836 15-Deacetylcalonectrin 841.0266948 283.6495708 1391.397964 917.6462266 2094.479607 1610.963609 1840.238893 1779.648887 898.9556566 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.12184544 4.07813e-08 4.07813e-08 4.07813e-08 2529.164785 6037.997202 268.2551797 2899.497425 6597.435108 6752.030161 6322.625202 5107.207263 7752.357663 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1509.618021 2688.78495 147.3630939 2664.242684 4743.124938 5846.862834 6277.103927 5462.125992 6258.903098 3842.130879 2846.231317 2824.746205 1142.557981 494.3701579 4.07813e-08 1210.90073 4.07813e-08 3480.330971 N-Acetylcadaverine 1063.00589 1281.154136 888.7293771 656.0874841 698.8534171 808.9526987 872.3008315 1269.928401 1442.23281 591.6821547 786.9952153 580.1276028 482.8570543 434.9484209 419.8171774 328.9844897 498.9583297 1547.326134 715.0661163 867.204428 781.9388207 594.2283403 424.0589771 431.4396497 535.7805738 10500.85339 968.5452392 755.2283448 795.7348887 1038.066688 948.063916 868.3644355 738.9535514 390.415802 663.6349566 1321.012593 954.23479 907.6671325 802.4480232 371.6125455 400.9248122 673.0395215 667.3701063 11428.11572 1526.240528 693.8822359 827.5357275 665.8074938 729.9410275 908.1977057 923.4088273 750.8841662 1370.15103 859.4576099 xi-5-Hydroxydodecanoic acid 130303.1769 126702.6546 121318.3763 120521.4648 117909.5863 93763.1929 98582.89879 111442.8034 117874.8349 77388.37183 75805.20114 71093.42325 72517.92096 75745.19177 59844.32113 98379.58811 74336.65759 83185.50706 80018.57936 82660.96382 75578.80322 77063.9734 69851.73198 71729.89612 87862.20155 100433.7777 91103.15695 67051.89654 81362.89046 80837.7974 84504.22143 69112.35592 76895.87178 69251.87454 88678.026 91466.50207 94766.78982 77375.83705 79884.34115 68861.79948 72077.19028 78103.91245 85916.78956 98471.02415 91213.56365 91922.88584 83166.80279 77484.59285 90668.05296 90888.14114 64795.50263 92583.57437 94104.55634 109136.074 HBOA 281.262422 393.1777918 20.54626496 461.3037013 312.9504623 347.1584435 713.4226878 369.7694263 418.1844748 328.0045219 229.3817263 360.465057 618.2413293 282.6754833 616.2868292 270.9185804 80.39028836 119.730678 1924.514429 1752.873358 1233.08278 1048.078643 1101.921562 1434.417519 876.3289953 1380.54319 1388.007407 288.6669209 212.0109727 319.3920322 549.7637943 506.1686073 267.5262018 800.5608144 314.2990948 154.9853316 924.1924255 1616.984449 1537.533367 978.141262 1032.931919 935.7724532 588.8315135 1204.749612 1412.363066 1257.173356 1589.199269 1576.878008 399.717488 327.4494791 643.2444812 1189.438373 638.8186464 948.082811 N-Caffeoyltryptophan 415086.4677 403323.2716 389178.5939 386114.7416 379207.4991 305732.4176 320444.9316 348888.1466 369410.8636 250414.8173 253846.8215 230778.9008 231249.6346 244383.4691 189153.5057 294719.8652 225469.3317 270054.9818 259147.4265 259270.3845 236445.2952 242144.6379 217603.8473 230764.9584 261774.7401 322772.3608 293233.4733 216175.4762 258920.7846 263680.8938 258847.343 233233.1066 234919.219 222385.5534 278817.5043 299943.5609 309303.307 253778.7594 261542.3476 219539.4677 217783.198 247244.1861 264206.1272 331233.839 309078.1265 296018.282 271430.8836 256230.2665 285681.4674 268230.4379 223657.6905 301810.1934 324215.1147 347908.6961 D-Tryptophan 8797.866271 8468.370772 3480.187498 4716.547282 820.3007567 1833.789657 4282.273406 8772.036848 16474.33672 11190.5363 8342.588094 13137.86182 13739.31686 9320.881286 15713.70017 17622.7668 20524.75218 48785.04297 1633.265136 946.8583585 1045.171347 949.7668301 306.3395914 1093.510938 1314.489906 2076.605375 753.8052183 46888.42619 17453.63769 21033.83231 32425.1293 19012.04258 25768.15964 16194.8298 22363.60481 15037.0536 12382.14726 1360.124491 886.5109543 819.2172647 845.0073726 397.4821772 924.8077905 3032.915106 803.2607015 676.0428837 4953.881772 4105.528445 4959.662912 6217.249155 9473.827494 4681.043539 25178.63739 1365.262303 3-Methyl-quinolin-2-ol 6995.135388 6951.904787 4342.87207 5505.826404 2867.845418 3027.878679 4356.146643 7325.800125 11027.91846 7437.571418 6423.001474 9818.51815 8349.751591 6528.921951 10411.39512 10908.73082 11789.89553 23010.79951 2463.015243 2624.955415 2165.189706 2069.946122 1580.866447 2186.99497 3016.909382 3338.550917 2371.299452 24538.03507 11301.44576 12789.88304 17918.3408 11195.45124 14265.18526 12546.21392 13793.83309 9133.467763 7871.183947 2283.407931 1677.465024 1746.097479 2212.995789 1988.166199 2930.078755 3323.533396 2645.182173 2247.989221 4336.218531 3460.755618 4617.615801 5257.526227 7545.439137 4593.854064 15216.95413 2660.030953 Formyl-5-hydroxykynurenamine 1662.168534 1764.395332 1279.612026 657.6093383 947.1189278 1987.947842 1706.388118 1621.54383 1465.059897 307.9437513 65.55095447 92.09123267 374.2127046 44.7659024 52.39217547 4.07813e-08 4.07813e-08 4.07813e-08 2938.771562 3491.645249 3237.703359 2747.313739 4842.075559 4548.537548 2706.977795 3473.588692 4639.663198 4.07813e-08 4.07813e-08 89.43111046 42.52533619 82.70036426 44.08927998 4.07813e-08 4.07813e-08 60.9073841 1941.223863 3334.840294 2810.919111 3335.169392 2537.698502 3874.96693 4369.968089 4331.483835 4483.582049 4956.063359 2698.818546 2950.216112 1780.092061 1884.482609 239.2806635 2442.95607 4.07813e-08 3849.411713 Enterocin 900 4.07813e-08 220.2279799 101.7450051 183.7065912 4.07813e-08 4.07813e-08 4.07813e-08 281.501917 14.46235389 14891.49324 13079.82258 9098.898798 15024.30741 6469.296116 8173.735812 5456.136523 7379.330871 5310.155017 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8235.037193 9802.156287 12920.07651 3085.544811 8797.107053 8116.466016 9697.524421 3030.638647 10214.95668 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1062.116039 8797.762348 4.07813e-08 10380.15178 4.07813e-08 Dimethylaniline-N-oxide 3992.960391 6850.179385 2548.752859 3722.467162 2083.497737 2319.301495 4166.194707 6280.65669 7198.342192 2608.81388 3523.628336 2711.141872 2412.627158 1747.339274 3319.387659 3084.935126 2811.629423 2491.72408 1213.21232 1372.970414 2489.498043 1090.98245 1291.110509 1204.67786 1664.933264 1987.483078 1379.558531 2996.638757 2963.348906 1986.16761 3522.930279 1909.755776 2807.723774 3639.75546 2940.867251 2382.052134 2181.795402 1764.426788 1953.677267 1707.319492 1173.647606 1129.734835 1160.390398 1658.191198 1292.103259 1376.134412 2324.009007 1820.848274 3226.911565 6361.311973 1957.288731 1889.202359 3048.663754 2028.684964 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- 2128.692893 1901.101997 1725.465867 1769.849885 1246.566853 1040.005371 1077.530165 1774.625686 785.3601932 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 242.1732601 1652.27566 938.7276813 1197.2011 1189.219883 1047.53925 1230.272107 1320.596491 1779.553769 1637.787686 4.07813e-08 4.07813e-08 4.07813e-08 71.77844632 63.20332128 215.2178755 4.07813e-08 66.48196976 288.37438 1261.738926 1178.606969 1276.896901 1457.439332 1389.855174 1271.972348 1212.124655 1500.06526 2344.090964 323.9772318 540.8190029 1015.780652 713.9973826 746.3724499 144.008839 653.6435666 78.52961391 933.2139544 L-Lysine 18230.38779 16109.86865 18814.18459 19270.22433 21209.52306 20533.76198 16928.83786 17164.68202 16623.41374 7247.159016 9808.748478 8662.798393 8619.354012 9895.954417 7959.580162 8200.118126 6188.291009 8535.998342 25712.8877 21765.52886 22957.29487 18544.25583 21353.19168 19537.66959 21763.69908 24078.62844 24328.181 10204.16682 9871.990346 12950.04786 10086.09334 14291.67647 11345.37883 7830.205593 6200.736213 10779.82863 19969.15964 20209.40176 20447.9186 21271.67845 20367.91994 24556.62821 18499.79526 26013.99264 21138.5197 21059.99636 17237.35621 20140.71923 19726.4527 18729.80893 11935.39249 20617.9131 12239.6733 20706.86793 (11Z)-8,18-propano-retinal 9867.541769 13182.47899 3804.306051 12680.6816 6561.746575 6321.448621 10755.54827 11882.7854 18563.36979 9181.581263 2138.450123 148.7457711 7478.345916 50144.88264 25324.20568 6087.998985 74890.18897 23734.73796 2830.857652 321.7775488 3851.625325 577.55772 1136.890023 2324.310661 1285.327089 469.8045562 2596.48949 32492.03923 10219.10931 21373.00124 41890.30716 12764.60933 12751.04559 20118.42607 43847.19146 59481.63297 4583.109228 4446.495118 12706.02902 7943.456356 3655.156832 2501.556985 3243.613094 990.5868813 938.863755 1493.357073 2206.882653 2180.787097 14602.10707 18801.59957 8848.740938 3898.551501 11070.67917 2948.551896 3,4-Methylenedioxymethamphetamine (MDMA) 3814.55113 2608.810612 3716.538449 2579.582435 4125.374126 3259.774826 3306.592217 1963.866406 2860.476681 1084.437594 236.309643 649.4067811 775.7847777 629.8815172 628.6036683 335.4208025 167.2838484 115.0637598 5261.390287 6430.223626 5274.968561 6295.274368 7703.530189 6223.714738 8445.450031 6481.747114 6669.364414 1286.314337 714.4392716 651.7756676 854.7899695 578.3151494 634.103251 1299.728563 340.7722037 613.4748113 5828.69974 4687.96093 5244.545971 6486.175046 5606.06395 6946.608537 6185.094913 6239.83771 6036.759415 5809.782889 3404.461127 3811.456697 3396.864843 3447.322087 712.5549955 3785.477287 1234.530976 4156.945928 2,4-DPD 3032.901929 4209.87788 2932.392175 2975.988622 3310.10812 3347.197682 3828.059935 4792.218214 7177.728802 5843.271415 4540.860546 3719.202208 6038.647595 3905.249494 3496.155329 2862.783302 5045.648435 6822.523275 4619.60731 3171.003116 7688.071476 3908.84899 9802.801503 5802.467314 6432.242866 6776.379823 5168.429922 3770.334083 5650.596203 2623.854904 4932.781232 4608.211321 1993.009869 4694.934927 3531.964827 4179.668444 7608.186327 3724.184545 3444.904763 5077.17411 3813.876121 4444.083066 9057.210732 6619.976635 4183.736838 9002.001684 4678.611583 7329.298178 4369.310717 8851.898373 4455.428202 7809.431667 3929.92422 4237.069776 a-Methyl-3,4-dihydroxyphenylpropionic acid 6376.04125 6075.151638 6243.551208 6167.845097 7386.034292 4763.680166 6374.423917 5713.894123 4809.543133 3647.970162 3975.163661 5600.190714 3331.914213 4761.895486 2845.821878 3563.984204 3741.964146 4421.123389 6942.126739 6648.820492 6868.065164 6028.064965 7422.964944 9378.524609 6601.398233 9038.702463 8666.482663 2578.103587 3726.941405 5520.071892 2954.09345 4983.809194 3569.231382 3529.395533 3472.753382 4292.760649 7377.092957 6673.124184 6062.381749 6047.767592 5657.468105 6951.808003 8939.502874 8450.058025 8092.34907 9769.761147 7819.771393 6000.692377 5113.088736 5159.637085 3168.13288 5984.32079 5138.651153 7911.317939 Di-n-pentyl phthalate 7989.260274 4871.710271 8924.717852 7913.085794 11096.99684 8412.529587 6793.431488 8037.757825 4189.993666 4.07813e-08 4.07813e-08 4.07813e-08 8.552154832 4.07813e-08 4.07813e-08 290.9536243 4.07813e-08 4.07813e-08 12659.57492 8963.768489 3568.379974 10627.22023 13165.44521 10831.5294 9470.403015 15020.11946 14341.98304 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 90.95848068 4.07813e-08 4.07813e-08 4.07813e-08 171.9557328 6376.933181 6959.637996 3406.378865 10347.41252 10416.0232 14446.97247 8867.981901 14777.40364 10498.33968 7333.492919 4801.615528 7579.533345 4596.997826 2788.975724 4.07813e-08 6637.705294 4.07813e-08 6600.671489 2-Oxomelatonin 14565.58722 6378.584887 9258.268409 7248.868521 6774.668588 5730.34609 7378.884514 5456.310022 4602.268638 1427.421286 1364.126941 1528.1255 1469.021517 1360.137678 1282.516801 837.2913495 1245.49419 1868.854964 15918.37852 17347.3418 13405.98262 13662.14791 16148.15022 15628.93035 14219.25051 17401.95276 16327.4587 2145.623053 1833.555989 1498.869889 1228.250375 2270.171452 1735.853328 2315.784323 836.7112326 973.03118 11160.30589 13064.66332 11410.38811 14714.87378 14936.99933 14671.3229 15456.0106 16353.56443 17904.44917 12449.86543 9149.868742 9775.588 8852.354026 7436.256833 2550.715821 9902.141365 1967.45981 11019.70956 5,6,7-Trimethoxycoumarin 309.8623556 130.3833308 4.07813e-08 673.3222953 716.0593391 237.6927403 177.9132579 142.2584356 128.194047 1407.673014 1570.717451 1572.184815 1372.517039 738.7136891 443.9500563 2793.696804 1735.799584 532.3191619 539.1823544 859.2801891 675.7771198 427.967342 908.5200486 857.0817292 326.8716818 1480.439152 253.6978943 6713.815712 1456.452383 1672.728104 3245.371373 1023.236086 5115.126149 1126.313181 3371.754507 1577.025084 1273.020004 400.0611487 137.5709744 452.1736214 523.9904796 689.3363718 584.0936998 662.5972406 196.9463645 657.709869 446.9582214 501.4265013 113.5393058 803.6420507 1303.798856 411.0335647 1434.499029 353.2154677 Fortimicin KK1 3053.949562 4283.449721 1208.78313 2082.123926 2672.488037 2251.957961 3899.451992 3292.296938 3924.534138 7267.120927 21463.00531 4551.134186 5451.162948 3211.335242 8515.484503 3164.213895 8490.087402 3312.408298 6240.931856 7096.464217 5682.915024 3548.936293 5268.859063 7404.553519 6083.492298 5062.781978 4642.247957 5159.878633 7443.185303 2620.70376 7188.940271 3189.745504 4068.225774 7394.795432 5044.318337 3973.543463 3562.350867 4844.445882 5892.386267 6410.721852 4274.724187 5474.804583 5153.096666 5643.361402 9564.101266 3562.804606 5941.690464 3970.728847 3822.435775 5789.016242 4776.464097 3127.401512 7899.374454 5032.220258 Boc-Asn 10548.71187 6433.753939 5131.181485 7781.169363 4807.391574 3289.399407 3929.322781 4595.823484 1689.491014 131.5342884 4.07813e-08 4.07813e-08 123.0145993 108.2002158 190.2845221 257.8402052 275.5741474 272.5075661 6167.227155 4121.585077 8348.889556 14699.63451 5663.51028 1625.431869 8310.917599 10431.98774 2108.302581 96.69979587 4.07813e-08 457.8696375 612.5291958 595.5646391 723.1070376 4.07813e-08 4.07813e-08 88.31303156 16527.14055 6829.567049 10453.83738 2029.527431 14476.47417 13063.71973 1497.432631 6687.747725 18621.51024 1338.920545 1596.737407 3582.162738 9064.741228 3689.710287 553.1202569 2460.621676 80.91939112 3505.163638 Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)- 42.35027738 1661.46136 8.039323726 15.12358371 72.91179876 542.4312872 19.11672067 1001.323755 301.2515822 3408.289362 2235.304023 3429.671876 3578.663444 4567.016247 1629.552444 942.5240595 4541.671773 7987.275271 28.25311107 13.32849948 44.89060706 205.6073967 28.76365078 4.57144776 315.3115717 4.07813e-08 47.20270941 1529.410105 2919.670515 5268.840305 1757.531673 3634.535904 1675.46572 2499.099829 1135.495764 2225.328729 4.07813e-08 62.0200219 10.90277502 178.9885851 201.0456347 11.2870592 6.911872589 277.2128126 4.07813e-08 114.1230792 217.6335017 268.2148206 332.9453552 325.0457578 3499.16956 574.5409834 4.07813e-08 936.5794662 Ipomeanine 4169.798181 3377.719082 4433.480588 3768.544694 4520.676582 3915.084628 3867.395805 3892.590009 2976.631575 1242.105352 1276.809593 1230.713624 1361.468578 1413.232491 908.0550295 1120.419642 637.8292251 1393.127574 4907.242668 5015.417287 4534.467416 4539.783363 5984.83733 5907.512721 4350.571403 6079.062493 5385.349399 1128.834677 1352.083438 1750.169209 1249.254957 1395.873418 1786.264918 1269.104012 1374.010481 1440.575869 3830.065548 4201.044962 3996.279008 4719.501649 4864.486889 4666.343186 5518.107289 6625.61368 6728.780795 6443.140377 4227.360388 4106.627847 3738.971544 2729.760561 1384.229611 3783.246785 1453.793703 4746.664378 L-Capreomycidine 265.9998037 4.07813e-08 281.1085562 220.0837994 133.5931476 57.60269463 4.07813e-08 166.1704108 245.9604059 106.8379394 4.07813e-08 194.0206284 384.0242265 4.07813e-08 4.07813e-08 41.57703715 486.229386 4.07813e-08 1613.568725 101.2197267 395.2270919 458.8224725 213.7909137 4.07813e-08 273.5816637 632.4079652 310.1844278 99.29982769 121.1357262 318.2905868 507.5456434 273.640949 181.799476 146.0666162 410.512921 55.85329052 14259.77117 4219.151474 813.8942167 532.8136191 497.4602359 1803.928993 2239.086746 1778.619079 2560.174309 395.9263672 5280.726456 602.0712029 1011.489765 1112.188791 479.7006821 365.0780188 288.6494621 9602.281711 Ethyl 2-pyrrolecarboxylate 1032.863685 1431.756516 963.5824598 1133.397365 801.2299541 1057.832972 1342.857371 1507.871474 1947.195824 55.48917308 4.07813e-08 47.64226104 119.3260755 114.2382303 75.98770835 234.5402903 171.2917146 176.1036742 229.7170285 92.68104613 291.6033486 220.059569 152.3311397 221.3813754 167.6936486 459.0948594 382.0509025 129.1890643 46.11977397 99.57842204 4.07813e-08 129.0927881 227.0695983 97.1546553 315.0669969 92.45298514 515.2038059 583.2983734 591.2704876 421.6384066 279.7076341 165.871922 126.1318135 342.8456735 369.1224036 232.5032382 646.6537773 242.1503831 684.3495041 1005.288754 152.5182571 374.375818 114.0241321 408.2171706 alpha-Allokainic acid 3961.276169 8284.676583 2279.227579 6842.860939 6514.619282 663.5970719 2148.866511 4392.078159 2413.930833 12659.50516 10855.22091 14226.35571 14385.93602 10613.70475 6939.92282 12288.91669 8948.826051 11523.99795 1545.399875 322.0913808 1864.280075 896.5680107 630.4941913 202.1512948 1695.205596 2263.827683 4.07813e-08 12064.34192 11407.02144 16189.7256 10166.90411 12474.67025 10877.21894 12096.75179 13101.66333 10913.80806 9402.681534 1627.641638 3738.941239 533.2696748 345.2351935 1779.440949 4.07813e-08 1773.420979 933.0328061 286.6845873 992.1287743 2187.134147 3888.756128 5624.962861 11139.48124 3314.50133 11742.76625 434.8920679 Zingerone glucoside 21.22047175 119.3088849 19.13295552 374.8495914 161.1151972 145.427129 76.02395921 37.36850161 16.72952251 8376.717801 30954.36265 9919.051724 3465.754984 32044.42112 3739.284062 21624.21805 5587.77805 16350.09329 514.8547797 373.0342853 97.66712892 467.5779639 647.6776946 1381.010125 199.6757374 937.9424449 693.5950986 804.4848489 6673.895149 13982.16761 4211.452583 8953.869152 2413.524281 35.75337107 2153.237788 4061.678525 101.8083291 507.5158135 209.3409413 332.0903538 344.9896736 713.072362 1070.815983 474.6429848 1033.766705 131.1149504 480.5324584 250.8984143 115.9777511 30.90481712 1445.633869 88.82142406 8673.130436 1047.851112 Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- 3142.639096 2955.751815 2883.172843 3006.859951 2613.62865 3004.294691 2449.546273 3551.234417 2941.320048 1262.561461 1078.14169 741.539236 962.1342416 856.6159556 904.3279262 551.9133333 623.7870225 830.2305396 2484.001596 3127.680591 2503.132672 2336.280152 3310.018882 3041.74393 2651.596961 3388.689994 3436.029055 427.6697733 974.3706692 783.943019 673.8126512 966.8754397 848.4597903 802.0943964 608.0171975 643.0766306 2190.615375 2775.307368 2119.900233 2509.070792 2501.729677 3207.428455 2767.861179 3125.327915 4872.082284 2537.216178 1893.917146 1605.118861 2389.698885 2010.802607 1205.053487 2190.79578 681.4973042 2697.847734 PC(3:0/3:0)[U] 4.07813e-08 1467.65595 369.4916319 4.07813e-08 4.07813e-08 4.07813e-08 583.4879189 253.8921423 4.07813e-08 8241.872489 6105.532755 3350.115799 8424.537105 2141.590475 3397.70751 1762.62439 4636.822675 5214.179262 154.4574617 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2489.409953 4413.999947 3435.825651 3718.003748 3521.426312 2682.44743 5795.782168 786.5816009 3427.202623 1227.950952 4.07813e-08 4.07813e-08 4.07813e-08 49.04226851 4.07813e-08 4.07813e-08 212.1899609 218.1989814 4.07813e-08 4.07813e-08 177.9558398 358.0902446 692.9759142 4740.9515 161.9096574 3526.018994 4.07813e-08 Norsanguinine 17456.85816 26278.00729 13176.94498 8873.050683 12759.56583 22706.08058 20289.88969 22839.3617 18230.39791 4363.695731 2663.943641 1761.252078 5000.158019 872.7491513 3183.938142 967.2413549 327.1287746 4732.345493 6670.118176 8527.858931 14055.93806 6068.711056 8472.435514 9894.540966 8056.696633 5618.359753 14124.40723 581.3790739 3204.769652 1651.72851 3234.003034 1655.393385 1949.785688 2867.264881 827.5341892 2681.994881 6798.564619 7152.44705 15722.71338 8368.919897 6766.498812 6710.873709 10822.7182 7565.48905 7358.454923 9999.961966 5872.304495 7969.988081 8227.649143 13436.07578 4031.698294 7709.643707 2165.31867 9872.795871 2-S-glutathionyl acetate 7388.331636 1451.24839 3373.645365 2044.597583 4406.259304 1244.277023 667.7748788 2166.988423 1663.285694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.12906185 4.07813e-08 4.07813e-08 4.07813e-08 16169.60861 13891.63361 9969.652678 12808.68478 18889.12206 4.07813e-08 8903.161726 17658.85562 5918.0979 4.07813e-08 4.07813e-08 155.9418342 4.07813e-08 142.4853715 4.07813e-08 4.07813e-08 4.07813e-08 130.8282757 1294.243619 6440.155333 7140.540913 4360.43012 16959.96047 11047.03249 751.0666483 12501.32108 39053.41228 4.07813e-08 1326.237648 3092.427249 3612.016536 750.8193662 4.07813e-08 3464.415574 4.07813e-08 1023.842727 PC(8:2(2E,4E)/8:2(2E,4E)) 1413.830853 7525.210025 1585.112259 930.0098894 1584.794169 2920.165615 2103.580333 6943.59971 1728.46178 35888.02785 26903.38177 18228.60021 38935.74124 9487.737887 24785.06415 15604.95015 10664.62057 22317.26153 4132.852612 2389.150852 977.8961747 1257.334202 1245.454295 3173.367517 1682.522069 1658.147739 1090.386859 24588.69956 32951.45459 14766.21473 20174.47394 21109.24629 16236.98034 38021.19675 15583.74648 19892.82932 8161.589511 1699.382191 1828.284197 1458.825186 2163.892426 854.57224 4522.862294 2298.245482 1621.051659 11671.74135 7124.081854 3520.946692 7753.061186 22246.56959 28905.9244 2083.307587 22936.93871 12090.04445 2-Ethyl-4,5-dimethyloxazole 659.1190821 859.1191692 463.5180597 604.4076405 433.430295 627.2401686 700.606364 1098.082825 1200.276487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45.75037696 42.22766459 27.17628528 4.07813e-08 62.1144887 267.2766839 4.07813e-08 4.07813e-08 153.7258973 43.31536952 4.07813e-08 137.5429437 33.15581664 4.07813e-08 28.45080144 34.28505442 4.07813e-08 4.07813e-08 31.6200457 121.9715742 4.07813e-08 154.5396597 222.0310564 321.9923732 126.5125012 87.3839004 4.07813e-08 87.47611469 101.9030856 100.6161129 95.49155169 317.1189989 257.9511151 651.4274936 943.1954505 4.07813e-08 346.5036403 38.4382839 146.5333319 Benzphetamine 1.762926952 148.2773426 697.2271272 4.07813e-08 715.4696503 2524.241219 710.7251081 164.5770396 4.07813e-08 4.07813e-08 4.07813e-08 249.141203 1005.74626 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 299.2453255 2774.938411 2263.981049 1855.635475 1648.269201 4275.012364 5714.526422 1988.204319 2294.861928 5273.948681 357.0847454 541.7981729 4.07813e-08 4.07813e-08 4.07813e-08 105.5913142 123.9686624 108.0702871 167.2829823 779.8099471 2454.119376 372.5214093 3505.184818 1952.820841 2571.398394 4634.441216 2393.868226 1260.077828 2250.971893 1292.647179 920.0654516 33.13596743 156.2654915 433.5477295 612.302344 4.07813e-08 1032.430652 6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one 887.1955656 444.780924 1098.2059 648.7667229 616.1259456 891.3444525 1318.208561 866.4790248 782.8527794 157.841353 4.07813e-08 42.91345601 61.85609155 51.10411493 4.07813e-08 53.88268577 103.2247228 4.07813e-08 1084.40726 921.1507522 862.2113543 1166.646813 1266.709085 1362.417944 1278.87894 1168.381956 1306.576536 4.07813e-08 99.15595498 57.2736682 51.85522102 52.16445048 53.32680587 66.49485202 48.71029266 49.24299903 662.4765602 1211.513479 961.4478531 1294.463191 1016.412903 1237.71208 1288.470317 1180.300436 1332.164876 868.1807035 967.955406 1101.920015 745.9948251 460.8324171 4.07813e-08 1039.599708 4.07813e-08 1429.706683 HAEMATOMMIC ACID, ETHYL ESTER 78.95137461 173.4871055 64.12887456 232.7137034 137.6548574 4.07813e-08 4.07813e-08 96.55185361 4.07813e-08 4841.044836 5242.627829 5491.747977 5100.302694 6308.347388 6454.485906 5675.527154 1386.211125 5343.934671 4.07813e-08 84.99548225 86.7729084 4.07813e-08 75.17273028 4.07813e-08 4.07813e-08 93.47811932 61.21439141 8309.556794 4300.625685 7506.202415 4577.116296 7645.711926 7331.17534 2424.089144 4688.014622 7627.026027 238.1729301 79.58571096 4.07813e-08 194.6226989 4.07813e-08 76.87496742 4.07813e-08 4.07813e-08 88.69575875 189.3971666 4.07813e-08 57.92585992 119.256294 373.9653227 1235.730846 4.07813e-08 6503.378663 364.1108321 4-Isopropylphenylacetaldehyde 977.2102606 913.6031725 1622.278002 1166.145425 1414.037832 1343.357084 1083.126678 1142.911117 616.4445343 4.07813e-08 4.07813e-08 61.41290745 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88.61798457 4.07813e-08 1524.858427 2126.702088 2128.921737 1864.56471 2593.2694 1875.739113 1728.595429 2700.938597 1725.958593 37.69352487 48.065725 4.07813e-08 4.07813e-08 58.64799157 4.07813e-08 63.95855161 4.07813e-08 4.07813e-08 1265.739336 1591.498257 1533.448841 1862.318204 1846.049443 1773.475877 1532.422704 2560.669953 2515.61254 1411.080321 1105.456022 1470.391661 1102.461554 1087.695824 201.7623947 1178.632259 101.8675278 1837.513625 2-Methylbutyroylcarnitine 9627.671602 5693.766949 7570.283034 8751.359866 8047.979118 6512.541269 6697.018929 7237.903387 5736.781073 2127.821726 2002.929726 3055.449587 2122.384115 2242.326746 2731.118758 3188.491384 1783.654069 2312.251385 9921.866021 11252.79956 10658.69829 13518.29674 12899.61763 8063.14267 11209.40888 14698.9201 18116.25298 2076.061321 2204.75726 2672.765075 2029.25654 2907.325888 3274.801248 2371.049102 2228.179798 2569.972582 6607.439436 10084.96328 10600.15911 11029.65362 13878.51667 13501.9636 8917.973703 14932.4703 16491.56221 11768.94769 9304.176628 11504.74147 8049.316826 6477.426442 2215.53849 10269.50525 2772.723342 8429.975827 2-Propenyl 2,4-hexadienoate 7338.578226 6593.662447 6806.709941 6684.933979 7191.976978 5940.581494 6423.796636 7376.515384 7070.69838 3303.283702 3495.693329 3105.925131 3299.606962 3622.300806 3169.421005 5186.94144 3884.340767 4161.398533 5978.999652 6359.884106 5640.615277 6342.947726 6524.925852 5402.963639 6616.045729 7526.572134 7238.187187 3270.266578 3518.066645 3637.185056 3559.253856 3821.02677 4366.834827 3305.227884 4864.470186 4357.307796 5815.913673 5330.088751 5821.695782 5752.19221 5847.704564 6039.348924 6555.401761 6982.685231 7411.959195 6108.891769 5174.095205 5263.136148 5280.98954 5417.3288 3462.511809 5892.164913 4459.108654 6844.042945 p-Coumaryl benzoate 1397.7388 485.0777892 648.5124387 374.7298316 1264.830853 1325.709244 1855.640914 1169.780517 675.3444048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1260.420752 3150.223301 343.2704858 2074.352834 3943.223878 3436.801 3210.62561 2828.250593 2422.34069 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1030.85589 1844.496131 549.5209237 363.8281083 1953.928852 2678.488284 1733.752021 1184.590211 4016.180932 3598.913551 2203.761903 1381.432927 928.5336853 438.5614085 4.07813e-08 1101.443721 4.07813e-08 2093.626183 Steryl sulfate 8742.317408 5427.628643 7203.359625 5255.69784 7650.580018 7045.933559 6460.126639 6658.401549 4165.167503 1973.805636 2460.317363 2669.641048 6181.311522 4986.772536 517.1872601 99.02660186 833.4015941 1466.618261 10244.60066 10713.4687 8588.814371 9915.891089 12484.7415 11800.10661 10042.44194 12128.48483 12475.69115 3153.018767 1499.772117 924.010295 774.1914788 2507.325386 2631.790753 1715.085473 1233.166433 896.0228642 7387.347353 8774.725869 7535.69599 9927.510775 10646.1017 11713.04553 10713.23951 12490.03974 14474.60327 10201.311 7702.889348 8190.39907 6801.451589 5978.994872 1884.292457 7680.179557 23969.85166 10953.70228 PC(5:0/5:0)[U] 26631.3639 37780.39238 21215.47963 30276.13399 21528.34515 29293.84507 34164.47215 55051.25938 76880.14306 5462.275199 8966.808365 7768.590858 5509.229153 6399.372813 8229.351092 4672.501056 9407.331723 10373.55795 14939.78134 18001.02468 19510.08086 11441.05469 16083.31699 16505.07719 13329.34422 17947.13942 19821.71731 4871.857517 8187.861527 8828.449734 9016.051137 18956.30874 7574.934708 11339.9604 4677.74303 6930.700832 12650.60966 18460.90975 17407.66571 19703.24526 14528.51657 15642.17868 11743.25288 16930.29211 19304.46451 15381.78983 32380.81404 23014.24594 29838.33352 47267.76118 8818.061742 26611.76043 4252.68364 19201.84182 Anhydrocinnzeylanol 2594.783402 1336.62595 1621.872317 2595.349633 3154.882278 3024.118441 3040.806997 1705.621812 2083.199373 471.4113921 1538.702922 4.07813e-08 423.6832119 691.9743509 702.5546903 551.5714212 482.0712468 624.1193755 3376.479885 4593.6575 3225.981049 4902.904908 4157.947363 4113.878415 5137.561407 5496.505973 4919.948846 490.1631308 646.0068906 1060.635257 603.3872776 692.5295307 4.07813e-08 286.1273077 291.2992938 1492.914899 2842.04272 3677.169874 2983.238044 5049.782873 5068.764823 5657.529108 3674.103643 4072.181498 8291.59278 4121.469812 4318.893252 3606.274899 2902.444726 1888.885083 1064.457017 3492.461935 4.07813e-08 3944.899388 Colestipol 10020.22767 7039.914447 8810.904084 6655.680679 7782.064982 9909.597366 8212.234739 8457.778554 6148.090648 1750.125669 1872.918758 1549.088784 1407.072346 1812.650023 1627.138018 2613.258204 2021.406607 2143.433813 13582.08982 13547.14582 9481.719672 12707.88009 14829.45753 14922.89546 14673.30989 16883.68413 19399.57337 1395.669144 1390.894521 2253.861726 1825.876687 1214.91518 1943.797044 2179.309094 2199.458663 2467.26351 8700.846299 10579.483 7187.114348 12882.01551 15009.01398 15182.88438 15670.87077 17415.44662 19952.86504 12691.09224 9141.110567 8315.103971 6943.016195 5711.199405 1372.11614 8446.786332 2163.631636 12517.78506 Blumenol C O-[apiosyl-(1->6)-glucoside] 1468.449823 2072.603598 680.410255 509.3576795 443.8611624 767.4468799 1464.814553 3260.638566 13607.65548 1922.272973 6571.243888 3519.921852 1314.46461 13585.4091 1875.10303 4810.199695 7050.367462 21400.74515 325.0766801 863.5930485 546.8275416 477.3315288 578.5714683 449.1050137 398.1994889 239.8008195 435.9580082 1223.863427 2853.702665 9402.622587 2761.693344 19366.68047 2507.573065 2297.531459 614.9909618 7850.13674 305.3049765 416.4512002 4.07813e-08 477.4253993 452.827577 846.9616665 505.9923225 382.5847738 653.733208 332.6494457 1436.575677 1080.224107 697.1671235 2486.540093 4393.240924 894.8056599 436.0254783 533.4513568 Aliskiren 3819.241709 16129.09084 4.07813e-08 4025.710715 4.07813e-08 2912.12494 1730.329667 4.07813e-08 1418.951244 4.07813e-08 1717.610328 2109.062223 4.07813e-08 1244.659072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2277.372538 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 368.3044073 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8791.322659 6877.383447 24784.29579 98922.07104 4.07813e-08 4165.544651 736.6211425 5433.080643 Leukotriene B4 ethanolamide 10920.99026 7729.415643 14845.55506 16430.42572 16611.77304 13110.95735 14984.47259 17438.10881 13316.87417 476.5854343 4.07813e-08 1112.760792 678.2370352 2292.954721 979.6875136 302.7329655 381.8358359 2539.637837 31760.29824 29870.93329 20115.31592 22901.49983 37796.18085 29378.53832 19903.27584 26284.44563 24706.40005 1117.194428 1512.090227 1462.32375 153.1715289 2434.759273 1431.021822 951.924169 926.989591 1610.691941 19118.49991 24338.51258 18977.37849 25429.5336 26241.18212 30073.1784 28003.83447 25891.83681 30771.38976 15683.92664 16514.95359 19777.67822 18004.5404 17167.5093 3173.828158 20698.65445 996.625029 16630.36602 5-Hydroxymethylcimetidine 4.07813e-08 3448.092793 4.07813e-08 4.07813e-08 158.2089309 804.1258676 1759.571387 3076.846861 2219.278705 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1395.337614 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1135.689432 701.3713723 1099.402579 2879.432564 41191.14888 2243.777063 14407.97305 2605.673489 4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside 17845.63518 11671.45592 24356.21943 29116.56199 30199.10523 17145.05231 16660.2577 12177.40147 12299.03069 1190.854518 1240.772738 1343.160383 1505.404219 1126.442415 1021.863587 938.3226463 1824.638043 1923.044223 13216.80551 12641.75162 12446.75597 12939.75866 9807.978669 6743.168437 12689.21906 11792.20143 11001.44695 916.3665048 1739.396665 1526.797406 1082.684921 1618.217124 1913.881789 919.3014279 953.6963871 913.8121518 12414.93031 8312.244898 10244.86795 10991.53905 13441.56107 11534.25506 7640.183881 11360.64981 15263.84109 21206.0309 8491.40075 9532.504309 11987.92722 6128.831657 1810.655368 11435.44209 846.6920399 10619.53439 Orysastrobin 11787.39578 6867.287912 7302.51665 7345.504472 10008.38613 8523.457411 9103.154765 9021.53271 10120.09067 2496.974715 2123.656043 1387.602425 2187.701271 1013.28949 2076.617755 61.54737731 1953.40821 2213.277114 23422.70732 20442.1 19987.50313 18808.21064 22136.43457 20829.04916 20330.70303 24017.00702 24069.7553 2852.087199 1663.457697 1167.425784 2146.523662 3358.396929 1701.885805 1483.398021 854.0593998 759.2611049 12976.66007 16393.76955 13051.97851 18488.00662 20093.97219 22499.73179 16970.10609 25606.50322 31338.84845 16560.5198 13331.5646 17917.33666 10405.08368 10928.49318 2410.815752 14970.19038 1291.486223 14121.87789 Dihydrodioscorine 4332.968442 1811.429185 3422.510976 2873.165615 3065.649202 4570.519894 4477.28691 3512.03371 2441.731112 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8276.913099 11310.16506 3083.975175 7712.519518 11000.23508 11655.73308 10061.57645 11995.03506 13178.62731 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4250.715027 7246.237879 2343.954004 6490.895605 9940.016208 8917.590975 10099.68017 11378.99319 12927.67198 9089.495542 5810.801054 5889.087451 4229.355306 1965.077357 4.07813e-08 4205.732562 4.07813e-08 7675.436059 Avenanthramide 1f 1602.610757 858.2569507 1348.578203 317.8768445 840.3104242 1050.288466 1400.300162 905.9778677 373.3599282 621.1375618 196.1618079 243.0013365 761.5841498 214.5209849 556.4414219 126.1500256 125.6327893 641.3770563 2237.044587 1984.573505 1443.722941 1990.983371 1522.608482 1642.914132 1282.383305 2900.366348 1841.7862 402.9916714 129.3551034 252.954944 936.2629254 1655.91685 537.1492771 802.0376434 4.07813e-08 4.07813e-08 1862.738925 2041.58189 1581.671625 1553.561208 1999.200533 1743.229438 1282.102344 2893.528709 4219.428478 885.402228 1123.33262 770.1754391 929.4270231 1059.810136 1338.048547 1372.78994 225.9240534 1607.640228 6-methoxy Naphthalene Acetic Acid 2101.462599 1220.688094 1524.105746 2050.571507 2350.784608 635.2235846 419.5447111 2190.866203 1735.613692 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1954.554805 714.8617463 1465.426287 1446.306662 687.7862512 653.2426862 972.7468368 884.7586606 718.7305209 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1638.35845 628.5699026 1042.020233 1251.252255 1228.053259 815.6098726 262.7716056 812.3884947 541.9254655 251.3849365 322.8668808 929.9725142 1090.005474 623.0235672 4.07813e-08 1142.483279 4.07813e-08 302.7586505 (-)-Sedamine 1789.63848 1921.645854 1680.345462 1785.221972 2087.499544 2015.604915 1476.687917 731.6416934 985.5623962 400.1613003 659.0684924 580.5548177 545.4346092 525.631135 616.8161336 311.5831301 324.0420795 224.1574173 2498.061121 2431.195384 2083.818844 1817.874461 2620.734414 2742.751624 2093.256586 2364.788016 2521.768129 643.0416728 549.6879013 904.1039769 519.1951531 841.8080329 818.2467964 638.2115192 266.061388 479.7540481 1590.234863 1418.629419 1295.053326 2229.640588 2376.363241 2080.111543 2267.768031 2461.915978 3337.353064 2105.418993 1817.242453 1664.628254 1151.997439 1209.759023 786.343129 1259.701394 737.2851734 1613.298288 Dicyclohexylcarbodiimide 1321.196573 1642.20761 1326.104742 715.1230645 1201.31405 1130.675095 1150.997165 762.5787404 601.1770521 508.3189378 473.344571 505.8835506 402.8817521 339.630193 465.7361919 205.8038457 196.7711108 129.3318902 2043.43964 2210.833097 1699.105087 1492.145164 1918.971463 2051.818724 1718.161712 2070.872208 2339.261416 206.2354989 496.3121277 318.897293 494.0351196 710.7645057 1008.180884 706.8149633 287.8234132 156.7709175 1541.585322 1721.095416 2031.033519 1869.53512 1539.964795 1897.278159 1967.473415 2266.970002 2608.938355 2086.804962 1392.462723 1366.28469 1447.013683 1176.418822 696.3694191 1624.809014 516.2433703 1517.697536 cis-3-Hexenyl crotonate 1912.749784 1873.911688 2114.485969 3247.65622 2555.751399 1792.048174 2074.676162 1652.332751 1460.608142 1027.754303 1046.977524 1089.829847 981.3331273 1186.591781 789.6609927 1080.994642 850.1793972 1000.89542 1157.683937 1611.178287 1200.7398 1946.765741 1816.750493 1193.269585 1405.824823 1574.474976 1068.277899 1121.915654 941.1654317 1405.162802 1212.267475 842.6724635 938.0041776 1061.581965 2061.774758 1065.816125 1865.455167 2148.853839 1513.389837 1598.710902 1889.026814 1240.490913 1171.048153 1255.922068 2291.926387 1133.708551 1183.7957 1790.163506 1607.60712 1130.16301 1563.820429 940.7304451 1520.666419 1548.191237 Gravacridonetriol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1925.859782 2818.301085 2694.799671 2332.059308 13231.86021 3574.67912 4840.377982 11417.28114 3867.299801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1080.130734 2734.78693 7151.688554 1889.873087 7634.060983 9635.381551 1821.899052 5061.996849 4266.715946 366.7483158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4050.385434 4.07813e-08 776.9147422 4.07813e-08 26,27-dinor-cholest-5-en-23-yn-3beta-ol 11148.01692 7535.78751 7965.799005 9125.295611 13617.62386 8416.480644 6126.69634 11581.12982 9896.435908 993.497434 1082.778915 924.5477985 1812.125859 1130.733598 1517.729009 1033.788234 3847.514536 2501.910835 12374.32046 38305.27738 6600.869949 13611.21862 16560.4931 17334.63583 12631.12737 11376.61078 10843.94257 1933.507391 2174.89762 1829.16291 904.0190886 1977.026732 746.6344644 1783.378852 2404.207621 1250.410254 11200.94831 17707.05058 7023.622262 17695.687 15109.21029 13586.99845 12636.03158 9362.657343 19224.20645 8033.508697 6456.522457 9035.650951 9164.410629 9730.203059 2436.737656 7317.60207 761.8152937 6799.711625 Fortimicin KR 4.07813e-08 50.99101352 58.91314088 141.3916133 224.7514788 643.8003291 146.887009 4.07813e-08 614.9994723 4.07813e-08 8985.642962 81.81061403 81.69954869 176.6550673 3565.555159 25776.60158 32615.17769 399.1459691 757.3830118 1339.259879 343.3419504 926.8537134 950.0525714 677.3144 4.07813e-08 2058.72409 1227.897921 22597.97765 240.3179067 4078.252928 120.881722 22308.21912 9939.221625 213.2816189 6686.8976 342.2009788 549.1043345 4.07813e-08 4.07813e-08 442.2838323 1366.29786 1233.816798 1077.536701 2022.874863 1752.953254 762.8024694 539.1760731 363.6229765 190.9251159 170.2078207 1496.497186 751.6254899 14159.41378 255.8735465 5-methyl-hexanoic acid 1437.581261 1514.534234 1319.294757 781.9976991 1758.280793 971.5186675 1552.89114 723.5779066 959.3306647 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1352.166827 1327.472675 1371.114524 889.9749181 2603.561234 1436.846727 662.1780757 542.247438 1912.077173 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 133.0586819 1187.106702 1259.932133 1491.340072 1320.211208 713.3181008 1957.756495 447.3707888 224.8732045 329.2999579 615.7207178 629.1789717 658.1643157 712.3410276 4.07813e-08 1430.808187 4.07813e-08 770.3084106 Artelinic acid 9866.583828 8494.526772 6367.968042 10978.21691 13223.58217 9358.197802 12822.72147 5236.493754 8335.252725 2103.391849 1622.005827 2403.036718 2720.531021 1774.316355 2157.229809 2658.55175 2363.574248 2421.209395 19635.58684 22094.29651 17905.665 18480.68089 26869.03327 22296.36108 22399.99089 11352.66917 15811.36886 1893.391604 2245.73943 4003.493852 1861.144228 3568.44118 2288.269973 2826.920398 1753.622821 1963.622076 13791.73167 18933.10678 14303.15698 15327.43501 19074.08807 24228.32158 19522.0909 12203.19581 14999.02 20579.09263 16391.82691 18724.15547 10138.73331 9177.926031 5598.170028 17327.43161 2424.253573 10085.00822 SNAP 6499.678138 5650.674615 6761.62582 6784.982392 6026.397643 6729.321617 7209.700328 5928.135677 4473.862689 1816.933086 1937.529096 967.0388271 1956.499408 1082.691046 1243.29549 1233.869149 591.9797213 1046.453527 3206.523838 7305.70377 3521.908245 4135.409118 3444.704408 3263.541243 4198.928187 5126.852131 7117.541147 741.5223072 1281.725796 956.2662246 1015.42677 632.7962598 1200.716734 1181.962616 1690.65314 867.94699 4511.034769 5077.805388 3852.440507 4926.47818 4760.985002 3200.130259 2615.649267 5966.002809 4169.880393 9085.141322 5024.484353 6119.514306 3312.162798 2801.981551 769.9620243 4021.595707 1546.533472 5529.26601 Norizalpinin 4.07813e-08 520.5429765 245.4735498 843.5029501 118.2868583 133.0866791 473.7586022 230.0685638 473.9390514 2567.274177 2280.018297 4011.218288 2369.957941 4253.272965 2575.445038 2545.71408 783.6530192 3823.130861 4.07813e-08 96.83038042 104.5307014 615.9834781 4.07813e-08 4.07813e-08 296.8610285 105.5093872 4.07813e-08 1228.724065 5109.029743 3281.527019 3707.524509 2270.647783 2077.177684 3706.138333 665.0970551 6203.304846 2397.64988 180.282452 227.6124384 4.07813e-08 194.905545 175.1776505 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 463.608604 836.7331565 1012.86335 2604.454982 569.4258634 6171.079715 543.9074796 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5268.795738 4018.718707 6941.400227 4125.446665 4566.465196 4755.115475 2499.937741 4335.936448 7281.564186 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 779.5305855 6156.446429 6800.054244 2853.79579 11165.89554 4469.467101 1140.485304 2505.02503 5724.341319 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4678.798676 4.07813e-08 10163.89912 4.07813e-08 Triethylene glycol diglycidyl ether 6251.497748 4828.650083 6209.627815 4906.674941 7073.426896 4599.525683 5138.424043 6023.404539 4121.922606 2183.143451 2106.673987 1044.514986 2133.483262 1167.126377 3212.403276 1841.499606 1627.032416 1535.217064 6750.095119 5839.252463 6283.682791 6680.832473 5915.807962 6062.235654 5069.166568 5381.206839 4538.316149 1151.363499 1301.364947 1455.523256 1317.002935 1485.424288 1791.578104 1290.944967 1442.323059 911.8777796 5604.107504 6055.520939 5663.341018 6038.644494 6311.414082 5970.31269 6063.711757 5912.363449 5750.977308 4290.884709 2591.884486 3576.368774 5023.431839 4196.016436 1315.314008 5758.729569 1627.645068 3888.963568 NAPROXOL 876.6053149 719.1488916 969.6176962 1038.119714 1217.573656 1129.764929 1485.518904 704.1162039 990.3713036 113.5632525 42.15648933 70.01091826 111.4502681 76.60718857 123.4845014 194.0283288 205.8528275 145.475671 1916.009033 1886.669052 1383.778056 1699.349781 1832.363323 2038.068998 2161.494301 1022.233568 1192.347534 178.6100054 117.4991353 144.6373084 51.99023884 288.087022 103.959212 140.4721588 96.0839296 306.0737128 1323.937383 2013.506965 1300.38499 1736.382555 1980.429323 2090.215272 1907.179558 1151.072125 1589.82686 1592.762882 1152.529292 1402.43367 1205.784637 1490.766431 148.285514 1605.488038 223.7812868 920.3929869 Dihydronepetalactone 2931.92749 2385.557587 2718.47455 3092.051871 3009.484442 2646.806654 2906.715469 2397.266265 2600.033996 1419.04334 1689.161322 1570.157901 1684.229309 1765.331848 1505.49797 2486.750175 1479.95624 2168.965756 1113.2262 1890.891201 2226.342371 2003.372017 1658.282732 2054.867634 2101.507648 2353.592324 1928.301751 1543.255027 1982.034795 2405.965663 2356.588694 1956.394712 1822.694214 1632.573857 1955.597426 1743.178842 2393.194571 1952.012998 1768.553548 2093.053567 1792.885833 2293.22585 2289.965255 2391.357946 2093.100991 2218.945197 1849.668026 1949.814749 2032.148267 2447.987109 1489.970202 1898.252311 2402.693205 2628.763059 PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4.07813e-08 7915.575684 4.07813e-08 416.5643936 4.07813e-08 4.07813e-08 4.07813e-08 6096.0869 2476.469261 37500.0251 47681.03363 10010.5169 27467.49454 36274.82844 21857.05457 217635.8721 22805.23015 56838.35834 4.07813e-08 4.07813e-08 4.07813e-08 285.3306898 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51.63452671 28164.10439 27405.82743 114668.3747 59727.23733 51623.90965 13355.52498 159585.7711 39043.00403 289255.6404 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1585.085868 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 717.8546982 4574.962424 4.07813e-08 8086.423977 619.0038323 Canin 4822.591377 1317.521014 2410.685807 3088.781063 4761.81246 2927.173215 1517.369769 2361.334096 3210.916384 4.07813e-08 4.07813e-08 4.07813e-08 228.7275526 191.2784163 55.09207023 65.79184204 62.56178195 83.91046291 6999.647835 7797.915338 5524.004094 6061.394285 9723.4379 6806.699438 4454.091853 5807.824278 6010.39702 155.7031113 68.60085438 57.27974542 49.45147524 183.1261006 396.7805634 96.02927794 231.9300837 274.9039852 6819.175882 5844.930641 4499.26265 4658.553836 6582.185616 9987.745834 7644.879828 6112.246372 5148.286777 7119.380786 8172.213487 6203.237709 6342.964857 6365.748297 658.3136173 4269.649003 633.1041252 5236.29724 Desmedipham 3996.723705 2828.216802 1259.675808 2728.278903 1529.10146 3604.768121 5772.520689 3267.901051 2791.07453 5870.643098 9242.71634 2986.563897 5364.205752 4623.090999 3532.110083 3682.024336 4279.993396 16327.75068 4.07813e-08 435.390196 180.8055819 2806.072162 1077.515776 234.4923033 1054.825047 1092.936342 322.7336713 2971.160207 2649.943857 11327.74746 5358.769528 18746.11313 1310.430478 3379.156642 867.5933648 9183.664094 2443.249623 473.755054 196.4513634 387.5103733 606.8145157 424.9651312 4.07813e-08 1080.586069 2007.757379 184.33897 1574.900415 1070.561913 2168.610303 906.8007703 7362.942603 2075.334224 12195.14027 1875.652593 PPA 1468.23447 1162.588713 1473.310746 1380.121137 1321.374677 1272.31176 1321.353766 1147.582353 1282.267389 753.6344833 810.0289512 638.8091913 840.0383944 653.5758897 810.0985589 697.3784106 556.7960645 567.6817863 1518.481255 1212.787831 1300.246055 1357.175046 1067.301663 939.2111229 1476.578094 1340.472299 895.5061924 582.8674232 679.7746101 618.2558898 693.52697 627.1284298 714.8466483 558.295444 689.4116218 808.5670527 1317.974286 1497.652754 1091.488698 890.769992 1252.180402 1274.58468 1209.357931 1247.981884 1652.123028 882.7006202 1112.013049 1176.135256 966.2979231 1043.956421 681.8997291 1027.982158 940.4044982 1265.395791 2,6-Dioxo-6-phenylhexanoate 82.07811879 347.3517124 407.2850512 261.1723456 312.3985828 918.040779 651.9363841 4.07813e-08 214.6101082 1492.325326 5456.849082 4.07813e-08 1676.737506 4.07813e-08 4.07813e-08 1798.418034 32066.10884 503.3674624 777.705592 693.3374841 538.3378575 1133.993541 632.9492827 926.1096431 335.8651292 825.8776179 608.4417406 9827.790705 752.3382325 7991.301716 636.0563032 8086.536368 19574.53691 425.4804012 12181.10953 1122.037005 1222.190675 379.2889502 531.8482907 671.3930186 911.5080773 489.9689635 775.2340561 871.2145567 716.6268674 1009.818585 717.6567268 781.9400119 597.4544872 807.6645031 4183.72149 711.2974713 10811.89117 1085.139958 Dinoprost tromethamine 36493.72674 33016.34256 31484.62763 39519.03881 44009.50153 37646.4992 34448.56741 32387.70625 24789.06588 7830.424231 12966.70453 6923.065395 11099.67 8788.544871 13167.94538 938.9206219 4192.789953 13307.8287 32595.32029 29962.37469 27756.19318 30882.14435 36216.5267 30666.24716 27769.81515 31606.95839 31389.8927 971.5530087 7033.942011 9134.721096 4248.402409 11042.37994 5840.056452 5232.416277 4790.820551 6337.148991 18352.98383 26698.43867 23813.36104 32715.7962 28413.04821 29786.39357 22859.17219 30683.39173 41564.19093 31530.10174 28274.27938 21737.72145 15778.87874 13452.80742 9720.853932 18887.94342 5473.513855 23915.20384 Isodomedin 15932.10861 16618.71154 14574.12439 15835.08718 16172.29482 14518.99543 15795.71237 12704.18404 14516.18351 11131.67856 9526.284149 1456.157168 11618.44723 1241.867088 6920.181386 563.631493 1607.187424 2324.993722 25624.33583 24613.80804 23969.08362 24917.17572 31737.52286 25024.59453 23331.98299 31263.1201 26589.21128 5852.913922 9379.405999 6897.311952 6172.267622 16073.39307 7464.815102 9421.608831 1036.966444 3900.308658 22678.43452 20839.13328 21888.38972 21483.46948 28212.12192 29006.27392 22230.02125 29517.57584 36855.3658 21853.73062 19269.65301 21983.42313 19206.17147 17551.4872 14321.67082 17364.16959 9654.479876 19140.64892 Lucidenic acid J 4.07813e-08 4.07813e-08 4.07813e-08 405.0323765 4.07813e-08 4.07813e-08 215.4455496 4.07813e-08 4.07813e-08 4.07813e-08 66.41566219 112.0358688 7.074613897 4.07813e-08 4.07813e-08 0.727747089 126.1308976 98.44426238 311.7886986 150.1583349 246.1311334 906.6663849 317.3132904 164.529094 374.4402193 350.9085734 387.0321401 532.5022494 172.7140735 10.11926785 4.07813e-08 214.0433742 98.29004882 138.5247629 0.755942066 4.07813e-08 217.1926598 4.07813e-08 493.7671269 454.7120414 974.3238587 276.6793105 425.6805339 4.07813e-08 424.4308202 4.07813e-08 4.07813e-08 217.5451826 4.07813e-08 159.2722491 4.07813e-08 379.5970976 96632.87993 575.6688633 2-Acetyl-5-methylfuran 1710.974065 1306.590046 1326.837088 1371.123269 1422.732469 1386.80207 1299.037612 1665.656167 1327.503648 801.0192486 876.2130503 826.0157411 712.0773875 814.7867061 655.7680507 1076.93906 746.6939481 1034.872204 1124.227794 1151.710542 1076.607335 1136.765657 1175.001742 1181.333224 1126.570195 1113.415069 1273.457038 700.9889994 858.3411627 793.3611979 747.3834353 776.5319257 836.5152227 734.7993639 1046.054094 936.4486881 1341.126094 1179.406305 1115.859719 996.9756949 1243.315771 1205.711782 1252.698682 1057.457485 1041.494709 1053.855874 1137.717987 1208.102716 1200.576851 985.4487997 753.5061402 1196.668963 920.4978103 1459.546915 1,2-Dehydroreticuline 422.1630326 1850.900114 4.07813e-08 40.06716964 1.061264075 352.4830029 414.6811726 1038.961844 1107.966814 9611.950252 6904.089076 5212.872675 8025.702129 7427.287874 5105.520766 3136.649304 6480.326777 6871.370462 288.0050869 26.05448397 67.96032587 205.4012749 431.2184199 381.2605149 56.93868416 447.6295744 23.62198747 5904.542756 9269.885861 4097.696175 4404.953123 10624.2892 5856.105546 3802.174789 4488.423778 3582.949488 1200.839148 398.4054572 213.7324838 142.1502392 129.5778606 361.1587373 262.5684674 250.5531948 396.7916037 425.1119483 135.7565264 539.2809464 224.4098694 1188.311833 13277.16248 601.2076222 5712.188201 208.1027278 Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)- 4.07813e-08 257.4741049 656.1115195 398.8158105 739.0905951 683.6422905 935.1255698 4.07813e-08 4.07813e-08 4.07813e-08 391.3182691 66.13437232 4.07813e-08 207.4558044 203.1658693 1403.69856 4.07813e-08 4.07813e-08 598.8210534 940.1198812 457.5515406 1018.445599 238.5166041 87.65029397 4820.485881 114.5128735 896.2673106 4.07813e-08 4.07813e-08 425.2726321 4.07813e-08 75.53343783 639.1801821 4.07813e-08 4.07813e-08 4.07813e-08 89.53442158 4.07813e-08 580.2094473 4.07813e-08 475.1917554 4.07813e-08 482.7949024 4.07813e-08 281.0571971 18845.21492 3135.496598 83.74307303 1826.054417 538.0224217 4.07813e-08 151.2641953 86.35498066 413.720946 3-NOR-3-OXOPANASINSAN-6-OL 2263.648295 1113.207004 1539.654838 1906.250518 3918.733535 1840.15937 1414.428059 2692.755338 5308.826476 509.4606603 216.2133465 400.9868747 563.1981826 494.4309112 312.0798933 549.2012777 324.9716719 954.103384 2046.945158 2220.739062 2068.278216 2171.457009 2421.835872 2888.993616 1802.047944 1947.255434 1809.043858 212.9433334 536.7079258 572.796748 703.6551085 564.7229063 158.3816844 824.2703818 426.5572299 409.3554019 2406.728165 2099.559836 1983.569771 2419.821056 2576.439712 2511.752154 2196.260781 1844.935936 1733.80575 2202.813085 1735.060016 1809.72638 1735.489176 1617.722298 835.7646548 2162.732356 751.6714071 1684.82588 Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside 4.07813e-08 576.0718345 4.07813e-08 4.07813e-08 4.07813e-08 1392.375195 4.07813e-08 1550.966843 4.07813e-08 22825.50687 18303.23631 12638.3881 20528.80711 12975.81811 15007.2722 4155.264459 11157.07667 24995.66321 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11132.29643 13565.06209 17743.86307 11324.24621 19853.08237 19296.92349 10735.18772 8946.910395 10599.58452 4.07813e-08 4.07813e-08 4.07813e-08 167.1240293 325.4694625 4.07813e-08 4.07813e-08 4.07813e-08 1079.315615 4.07813e-08 4.07813e-08 596.7316548 4.07813e-08 985.7549434 16978.14132 4.07813e-08 21922.07489 4.07813e-08 Naphthalene dihydrodiol 10891.84586 10480.29037 9975.91683 9704.245158 10741.66797 9124.130914 10395.00601 9406.573736 8831.310001 6516.718795 6164.200167 6033.561164 6743.076802 6509.100191 6179.638803 7641.053359 5740.29157 6935.174716 6979.403763 7618.970144 6953.134966 7055.097553 5739.302341 6738.653619 7063.109339 7742.192937 7076.868311 6023.156157 7706.602222 7815.05687 7351.27063 7000.854823 5840.015318 5605.199667 6424.546579 8223.721586 7846.743144 7857.897891 7117.486882 7265.542393 5808.361129 7060.643775 6907.695218 9134.242275 6996.496038 8385.504759 7892.162161 7850.756078 7184.120317 7387.325175 5975.806169 7745.672951 8430.820825 10363.65664 4-Acetoxy-2-hexyltetrahydrofuran 9022.103221 8608.546828 7795.088574 8796.514035 8446.008901 7017.036534 8084.523292 6914.898609 7363.649662 4977.326641 4745.873066 5056.407236 5215.055574 5681.498426 4319.877604 5133.079947 4154.79182 5333.672646 5517.792514 5579.65474 4973.085612 5656.636253 5432.720493 6158.072894 5725.93772 6411.885741 6131.171191 4150.181398 6013.239276 6385.326458 6901.619912 6254.359605 4565.973519 4482.554363 4704.808301 6435.772411 6466.582788 5798.841308 6011.58316 5547.71567 3946.835546 5028.053115 5320.639092 6997.808822 5808.74502 7404.175714 6549.625969 6165.330576 5913.76976 6111.232998 4209.584688 5542.42027 5980.575052 7649.924333 Misoprostol (free acid) 595.0363203 9.610625302 739.1861456 1203.339775 2806.59425 1540.046621 2847.851941 306.9777342 702.9035706 6502.694969 5898.163362 8164.879614 6308.178235 16766.00315 15434.11917 5668.433805 28507.15598 4892.883239 1358.992083 2046.378958 373.0978399 2379.130864 3682.862467 2289.928092 1333.036584 1079.356104 1835.567035 5510.828442 5549.401623 8266.176601 8973.395225 10776.71837 7413.192953 12002.84705 15610.77078 6992.554384 934.8439053 1202.265343 589.3123194 2225.71003 1447.550237 2404.384718 2206.551778 2082.082188 433.2356332 1531.900911 876.5798362 1237.984575 785.1050507 534.6518299 8453.965045 755.6940795 8073.656027 1915.765605 N-arachidonoyl glutamine 1602.330773 542.4696868 6422.735951 2776.242536 3872.188581 3703.62866 3133.631206 335.4743496 2455.726585 0.044738872 262.496073 295.6277522 4.07813e-08 1423.677673 2114.178998 125.4886401 1857.571239 2387.699083 3717.526753 4692.632887 4103.274293 3709.240597 8646.375234 12263.39302 8435.088153 9092.944611 12666.32578 1707.775742 4.07813e-08 115.4583194 29.18183885 4.07813e-08 102.1021607 4.07813e-08 154.183707 126.4239658 1376.233082 6046.446355 1924.626312 8979.966803 5303.393499 5405.283076 12851.83948 9565.694252 6788.088705 13402.53943 3454.063632 6412.834066 3675.72319 1800.099204 105.1621459 5215.130685 131.2416127 6693.142697 beta-Ionol 12912.09226 3761.060047 10147.38994 3079.509993 4238.170722 21266.8408 21775.87641 5150.195325 24170.63572 874.6769521 1062.84608 977.2015788 1281.794206 1137.796085 732.7136015 1750.321139 1124.464087 1400.322455 2431.12607 4456.084423 4803.998515 12718.2016 9548.072385 9265.908692 3499.206458 2666.242013 3401.051872 1324.566983 1532.085329 1771.782589 1235.853106 1243.79126 1328.787743 991.1745067 2046.72713 1311.762642 11332.98606 12124.57503 13209.65816 6312.862918 6767.026371 4996.390204 10112.87232 2661.99373 1926.510017 4398.277082 13152.90348 14436.67656 21273.15971 7522.256666 4680.870197 9257.232704 3666.815341 29263.92681 2-Pentanamido-3-phenylpropanoic acid 21915.41057 14750.15727 21992.69383 19252.66348 16097.69912 16783.71858 11561.7588 17410.22701 16920.71615 5844.970889 13129.5341 4781.431888 5670.661865 5728.465034 3156.426028 26278.18979 12723.01054 7548.191066 13026.08885 13304.05284 29614.88228 23289.23408 24181.65096 11083.49879 14904.40317 18936.36169 18386.15317 22175.2473 6323.791396 22945.24349 6495.718887 11958.21897 10296.21367 8399.799795 12781.96616 8257.579418 25814.36654 19071.83674 17892.72165 17866.5905 21360.33815 15818.19077 12543.15498 10267.43903 18578.15254 4013.984014 4069.849767 11982.65187 17862.66497 15120.39933 8334.752717 13994.30712 15276.02647 13332.62413 Istamycin A1 30.48570837 1333.248149 129.8642617 444.0349608 128.0491343 420.3871821 747.4076424 230.7332417 7.588226731 39911.64298 22582.92022 13447.69478 37123.2153 13889.28327 51192.93187 5760.363354 30386.07527 16639.63671 353.2016868 421.1390552 582.4603339 256.7656164 3.921389294 399.3982161 939.3150649 717.3465575 332.1136638 32627.26099 22314.74041 20969.46836 37293.21963 34858.81454 35640.89139 37862.29688 17402.91742 24166.99305 1486.308556 32.35959383 2.510127922 139.2051287 240.2408988 341.600671 217.5981256 516.8113786 1051.836081 81.16893548 8.910131106 286.719069 1.117121202 4.07813e-08 72296.71485 800.2661763 31915.4879 16.25011044 Morphine 4929.576922 8783.168006 7808.801135 7291.308225 6991.177208 12261.05174 7294.661863 10138.74699 15665.70555 124.1925237 71.91242278 4.07813e-08 184.1214927 4.07813e-08 4.07813e-08 76.73552415 4.07813e-08 228.8181191 3420.743629 11986.55147 6656.616039 6290.96497 5782.119585 5441.6631 8941.574215 8343.030943 3907.446024 79.45427454 4.07813e-08 64.86639206 4.07813e-08 4.07813e-08 4.07813e-08 80.57969679 4.07813e-08 233.4273793 4649.262274 8327.364156 8562.400036 7345.689043 5585.537941 6801.980445 5684.555458 7424.62164 3767.322178 18627.57774 4242.77241 8307.217286 9366.465384 4908.504948 157.4022785 5613.793055 130.885167 5415.36176 7alpha,12alpha-dihydroxy-3-oxocholest-4-en-27-oic acid 3311.673287 2180.630626 5225.509773 4.07813e-08 4.07813e-08 9404.355803 4.07813e-08 11821.29632 9465.180425 3514.906882 1030.68803 124751.1334 4585.681391 141064.6212 121102.343 42335.49933 149659.1145 95091.30132 7757.54517 1532.014012 12131.61934 1815.696653 48.83898798 47.60853915 227.0643619 140.4704301 573.2510573 53611.10722 81865.58396 4150.065271 58879.77496 10534.31993 4409.163763 90310.02141 100652.5804 19649.41111 11280.50171 325.2709697 16363.07947 1279.912689 22.96001875 1258.160883 324.1887221 4.07813e-08 4.07813e-08 9856.684428 51407.23324 15376.79254 22616.60953 2083.056704 16405.45347 27728.39814 1895.702356 3242.760685 Dihydropteroic acid 11244.27603 6288.514591 3417.440258 687.3036895 4.07813e-08 5123.600593 8622.060453 3546.413604 5195.495235 6846.664845 937.3353572 4.07813e-08 6526.023276 4.07813e-08 998.8592397 2459.5447 4.07813e-08 2286.083912 123.7468982 918.464662 213.9158211 773.2654859 143.5797342 399.4153871 2153.672724 4.07813e-08 229.5479306 4.07813e-08 4.07813e-08 4.07813e-08 245.8667876 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2271.979151 533.345731 581.644026 97.01371116 537.0457648 266.4860981 93.4011892 164.5974384 4.07813e-08 1104.123772 1692.04661 582.1388147 2849.831925 105.3073862 211.0336139 978.1863346 4.07813e-08 7035.265762 8,9-Epoxyeicosatrienoic acid 13358.61747 7423.563866 10670.58155 10142.14988 7641.997595 17054.69831 7619.558572 7619.611907 9862.761899 126.9128057 697.7303574 245.3606625 58.95910787 323.8940879 77.05674767 310.1868611 822.601517 107.2655293 16226.81938 12998.96597 7377.014456 10459.78209 9657.172093 8880.066025 7540.333505 8732.605057 8968.836058 480.6282628 131.271154 1580.728567 106.7131103 398.6791484 1109.358077 213.7319688 170.4228108 812.916551 12363.90207 12052.24181 9571.686203 5831.093803 9544.368796 11577.28063 8998.403441 9342.584679 9444.200769 8695.384478 10106.23668 15026.91004 9953.538417 6277.844158 758.2766155 8951.164225 393.2360328 8132.276995 3,3'-Dimethylbisphenol A 4148.297912 1513.202145 1563.833776 1553.231351 3098.387645 2563.784162 6252.610042 8096.747402 2693.193303 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2937.877255 4012.487592 17861.1121 21792.95151 5169.45152 3589.581848 5110.164857 1043.859079 2188.408861 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.41882216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7871.494027 6185.624793 3548.093991 9415.466993 6196.026175 3910.151428 4156.811283 470.3172807 1226.656727 1529.978805 1376.889286 2797.879874 3230.399164 2476.754445 4.07813e-08 2857.792311 4.07813e-08 3749.971992 Acetylleucyl-leucyl-norleucinal 36827.58936 19008.76062 37892.39489 45464.99416 70334.34823 143492.4658 47479.18356 58910.3416 27184.34758 1200.740237 1256.034219 139.561186 1127.8349 223.9266337 1465.882747 4.07813e-08 2405.628263 1488.842878 10933.59136 7607.728492 26286.97898 29800.43992 29649.81896 27765.93574 24034.64751 13696.21712 20426.14814 804.4015606 4.07813e-08 542.590065 4.07813e-08 203.0735335 351.1555413 719.8609672 4.07813e-08 456.4606292 5051.66775 5308.908861 8029.776928 10674.91502 13526.26748 14293.56667 15528.39356 17780.42929 1535.060277 8571.362471 517.4913314 7462.571045 17687.47887 7420.731419 880.7559434 8461.481233 2140.725053 7425.169407 4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 127210.8681 112716.6571 83474.61225 98023.60395 97037.35005 85703.2654 41799.67327 135603.937 167886.311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63800.14739 83825.24325 91789.10644 89145.75166 133534.9228 67560.12525 59381.21099 55968.81783 68937.11727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 84103.48649 561.227591 177384.8494 4.07813e-08 Guazatine 29301.50126 25180.33861 21785.16415 17494.5342 10446.50369 31010.59468 32593.58298 37830.17848 40839.72491 33863.13816 21584.21889 10900.01598 29422.27219 9535.12476 10892.58342 4218.89961 29265.06996 19667.90705 22131.62077 19327.80794 13341.88845 15134.23779 14351.59733 23669.67809 15892.14617 16723.98207 13544.81096 1609.514981 5756.276815 9640.526568 4604.513522 6565.481007 4733.423713 2911.757391 5464.984712 3611.615915 9975.810837 16446.41865 11776.00302 14103.02845 19757.5746 12787.88631 20538.85492 13553.78452 22006.02415 17366.39459 13719.79089 12791.65071 11024.78321 5595.615486 5007.18111 12554.40705 5895.739661 11523.5357 Guaiacol 1515.35793 1411.60823 1450.944842 1390.86121 1216.843636 3448.396966 3214.651858 1229.507344 1447.761638 939.757261 1166.657756 683.4218004 708.0631809 833.1109198 1018.218934 1612.07938 807.9353195 1009.037267 953.0291644 879.7433692 1216.254378 1885.014615 1863.749213 1542.210229 1116.27504 1389.724087 1502.20433 648.2991739 855.3716494 1301.272723 1819.355671 1124.976018 1105.866929 1718.101403 1029.240166 1352.12724 3036.38168 1776.331512 2642.427323 1917.338503 1704.920331 1428.705182 1594.394015 1693.411108 940.5523941 972.120943 1154.231484 1594.363353 1595.721472 1278.478253 987.5752634 1144.147931 1740.329487 1233.410084 1,2-Diphenylhydrazine 7622.289721 7183.102852 6596.566522 6825.49509 6475.609689 6092.540033 6542.303338 5958.240233 5935.308401 4596.390318 3996.671213 4349.409996 4515.342363 5089.300894 4066.922042 5702.6504 4551.177955 5042.114623 5094.524934 4494.658287 4505.976326 4725.780017 3784.880055 4336.59744 4672.670793 5320.116153 5083.5659 4486.830036 4866.447707 5629.016914 5912.537229 4666.378799 4909.11518 3929.441272 6587.478268 5545.091579 5309.262944 4569.519805 5232.946861 5065.163733 3979.611349 4373.34069 4800.413257 5614.0457 5504.213999 6043.018982 4850.337321 4909.306334 5234.764057 4948.415059 3874.968867 5305.125617 4809.388365 6512.314178 1-Tridecene 5362.342785 7008.342896 4727.39277 4698.95668 4579.409758 3989.621947 4663.699629 4457.594885 4488.222964 2767.907097 2218.70994 687.5687327 1781.178479 2719.490124 1531.425418 2946.74808 1709.655472 2059.721338 3173.242169 2954.532196 2542.439126 2272.650221 2700.926565 2820.600577 3672.959211 4114.385273 3892.251421 2443.256409 1487.050669 1412.880274 1192.903741 2216.272881 2443.153558 2379.488026 731.4376655 3133.48701 3503.308356 4018.447499 2692.875895 2959.170087 2393.448478 3224.525224 3057.064036 3823.945033 3552.729259 3242.039229 3247.90925 1881.710535 3787.309779 3740.742215 2163.632499 3714.59858 2832.982526 3918.373432 eucalyptol 3077.855902 2640.096564 3063.350756 2762.670341 3072.609426 2479.835818 2443.070666 2808.759851 2291.871301 1754.635502 1711.889862 1747.421407 1970.045658 1877.502715 1523.953446 2459.221909 1220.907178 2052.161032 1823.378297 2020.485769 1963.909028 1682.652241 1728.512305 1627.729434 1869.748016 2371.696472 1818.027515 1762.558698 2326.327562 2221.736683 2382.671479 1784.09617 2003.878223 1660.652065 2202.432964 2401.746532 2223.619016 1966.750476 1800.210937 1791.207348 1762.661733 1811.557875 1926.657843 2426.440103 2023.999604 2408.199168 2408.279762 1869.145344 2313.680954 2019.686519 1647.432943 2250.800118 2469.385401 2803.677222 Maslinic acid 3-O-b-D-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108276.0984 95601.1863 64076.46548 77777.27814 79415.44652 53965.84095 32455.3385 90828.94436 118046.2729 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43156.94614 55581.24461 76780.82785 53782.41634 73237.66504 46381.88553 40455.68884 48228.71619 58662.57239 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46504.1504 4.07813e-08 109925.3441 4.07813e-08 [6]-Shogaol 18098.94003 17669.85649 21816.33751 14896.18023 12813.10909 17302.64698 12878.456 13379.10201 13706.74971 15899.11581 6518.110883 1473.061199 13168.84147 833.4983567 144.4644086 3836.642979 0.089538905 828.6984628 16557.87872 19044.92273 19765.62404 17768.05136 19865.89849 20016.33113 17289.97492 16996.64333 13429.3073 4203.915805 10221.91783 7524.926128 7703.900669 5555.734189 11366.5524 3987.05419 3580.304253 3632.246326 19228.79818 23490.27784 20725.18993 21509.43703 24563.14275 17430.6902 20211.74835 22457.83905 27410.44887 16095.57078 9900.917144 12980.53878 13157.89941 15180.12506 4112.492598 20127.44227 11555.61443 13292.56982 Corticosterone 1014.034328 3274.51531 1642.314239 3647.321743 2365.77483 2566.529801 1615.105866 466.1523487 1548.428156 208.4317611 1360.638023 137.271325 172.2828043 216.771695 175.6726702 4.07813e-08 511.616525 166.8480828 6354.827948 12047.47939 5372.003544 12739.14296 11487.56235 5994.810667 4607.452393 3611.358728 3767.129821 4.07813e-08 213.7697638 1044.116953 4.07813e-08 596.3029861 77.51659261 82.92131815 4.07813e-08 302.8652228 3835.904005 16267.26558 5514.154018 5044.176549 15281.43431 8306.919836 5577.979893 2094.622504 3785.568784 8334.084077 7592.667851 11880.27779 1810.139587 2542.72766 416.9223474 5111.701111 3081.777681 2856.204654 3-Octen-2-one 3125.345873 3300.822651 3261.797523 2920.2426 3020.347888 2799.435518 2596.703273 2709.926985 3125.805396 1976.784789 1806.142832 2051.883035 1956.083671 2159.290646 1733.293591 2809.144429 2189.126317 2022.005994 2055.005412 2214.908803 2048.132146 2294.628687 1862.791501 2071.994694 2594.364568 2734.597307 2437.500655 1830.084579 2112.181541 2245.526012 2388.381878 1877.786165 2299.979626 2072.587819 2040.973254 2255.36802 2255.706482 1936.608826 2035.811354 1926.456651 1883.628867 2366.748524 2062.366323 2447.371868 2292.496043 2389.402637 2405.396526 2139.676941 2486.482855 2194.63911 1723.768965 2286.828602 2353.127897 2816.33013 2-Aminopropiophenone 2196.033865 2103.770734 1993.332235 2017.428198 2284.729284 1825.942476 1804.853759 1294.457825 1465.259656 1559.19675 1438.841833 1420.554134 1394.341841 1750.411276 985.9252201 1096.970873 1342.62485 1655.728112 1163.910665 1782.502456 1327.456192 1730.899365 1481.879947 1528.059901 1173.231511 1522.929991 1261.739602 1095.362267 1518.659543 1480.217365 1540.065295 1334.254238 1434.729167 1289.669647 1249.795191 1850.745596 1700.781324 1476.157252 1203.472652 1190.671425 980.0127645 1622.801625 1057.311118 2030.509981 1076.448857 1975.31865 1578.367597 1718.655256 1504.092812 1024.401879 1224.405129 1348.666347 1707.838888 1888.66447 Trigonelline 3924.28645 4274.019237 3918.896696 3674.240641 3967.985801 3180.317742 3531.953462 3123.144684 3921.10794 2638.334308 1990.365936 2415.861413 2508.162447 2616.819416 2036.41012 3206.445507 2610.514704 3207.619861 2685.870656 2681.786354 2493.945456 2945.931108 2658.295039 2651.504907 3129.839637 3565.655064 2890.136896 2203.884705 2523.296745 3092.029588 2670.836777 2665.330548 2808.374729 2752.400449 2680.762254 3320.132421 3098.959803 2648.282198 2658.792517 2666.867179 2686.97736 2875.599389 2886.773224 3861.682836 2932.04921 3274.703595 2898.114477 2797.658138 3068.509825 2731.309723 2412.697196 3281.103377 3370.873428 4091.559611 Suberic acid 12158.91003 11893.88904 12124.91004 12009.81062 11409.02225 9162.433756 9462.284879 12006.83062 12191.1915 8546.294741 6773.787409 7035.147328 7546.819465 7941.681837 5902.466719 10947.75018 8143.923145 8975.26948 7613.671042 8103.076603 7205.551865 7993.496195 7250.098129 7587.584129 10370.3708 10559.54485 9616.810049 7024.79529 8005.860795 9102.746319 8270.487617 6994.747459 9454.748613 7409.622833 8266.130902 10004.25685 8712.834026 7258.632682 7586.374356 7243.803386 8721.25397 8767.42346 8494.998632 10897.50688 9179.739524 8789.59417 8331.653146 7964.711138 10253.86823 10475.7723 7326.906941 9135.892447 8870.309637 11207.32762 Triacetylene 23267.95019 18592.11624 11603.18276 8928.336616 837.5516368 5726.282052 14326.37396 18539.73943 20065.20535 458.9294343 848.8584698 108.2515168 1553.255799 751.5412053 3130.100621 1149.085501 3476.696076 2622.587588 1579.052948 6808.009934 3987.811446 6137.633716 72.16476333 471.7383514 3599.476283 3585.96141 2549.694671 5772.920525 2469.834171 2239.282769 1905.668296 3064.678389 243.8841206 1551.440304 9213.151521 1511.161459 19443.48481 15069.97003 12160.72365 1533.368127 5190.3423 219.2989008 4140.632484 5077.34456 931.7444563 1248.034236 4951.394016 9753.81719 8461.470709 5132.306786 4113.836261 2873.890955 577.5389928 5770.936221 Gamma-glutamyl-Arginine 6823.741091 24849.24771 1489.757344 8837.669004 6412.655431 4017.998031 6524.891032 19405.6446 13090.32671 82625.97432 63183.31437 45759.13321 76656.35167 47814.61553 34537.64549 31866.90533 37470.70436 63449.65695 2178.502257 6689.291238 2914.698053 1275.373647 2246.203986 1124.635513 4.07813e-08 2200.723447 4.07813e-08 64161.51881 70761.41219 63422.12802 41755.62771 161093.404 73868.03414 59083.025 19717.38283 40786.11332 2463.173476 4.07813e-08 2569.645045 3346.797102 556.9099216 2220.976533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6159.89689 1238.334671 7044.707643 26960.99839 64561.97942 3481.656816 120084.4628 757.6557323 Putreanine 3855.374069 4006.016677 2059.980726 2842.94934 3244.45035 2415.966152 1208.368565 3564.305924 2525.741084 2567.681574 1445.177846 3080.872506 3716.511397 1556.504709 399.9762685 168.3230218 153.152507 7044.836607 1435.616215 1240.756013 3051.382656 921.1425821 435.2500537 622.9952091 1985.79402 6887.309051 2185.081757 2415.166058 1711.5101 1119.043861 163.3712827 1538.88608 835.1591331 4.07813e-08 4.07813e-08 489.4522607 563.611237 353.9045613 1445.03321 170.149525 1543.039164 918.8046973 110.7342689 11426.28358 2916.035285 2168.372731 1448.22395 1940.554706 3558.491103 2297.357257 1921.935111 2762.874115 562.3246112 164.8156398 Gulonolactone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1627.294698 1692.14487 4294.051335 1634.795641 3565.843058 2353.140006 1722.951542 412.2950136 1820.280643 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1597.936463 3514.607542 2252.318036 3639.579709 3573.853857 282.2648515 4882.570768 2460.263289 4188.399413 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 209.5862888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4825.254002 4.07813e-08 2099.36199 399.0442632 8-Hydroxyalanylclavam 48840.17453 54154.59025 38400.87396 66496.26659 31515.35908 34367.94739 54732.37727 58277.4255 67269.19505 18954.85917 99509.88442 32698.31141 23524.90693 13203.43015 23554.72643 30626.62396 13911.99063 15921.50193 21825.95504 21873.93746 25141.84802 18340.42956 19924.38522 23068.53671 21073.79613 23211.21037 23611.23418 34926.68257 25465.86606 14335.09681 21880.93537 9497.370866 20531.51399 22605.54716 44015.91975 20347.19527 27255.97659 23896.88225 28762.56783 27238.76656 16909.43037 20170.64406 13521.1135 22527.36436 15781.04268 16601.1483 32894.57608 19434.42272 32806.16473 44874.59597 10488.22124 18250.74806 19284.89383 18269.2428 Pimethixene 4286.13682 1718.027007 1091.910243 4943.623392 586.4990661 369.3942787 2999.240331 478.8378926 1322.054994 1327.871149 24.6212011 4287.735115 1.795242414 6954.345059 1933.146129 3273.009291 1995.450851 4.07813e-08 8167.098762 8533.451822 3928.017436 8599.834562 7704.187427 9215.969727 8262.807094 8963.603256 6309.543164 3038.880674 2240.200092 2446.434505 4.07813e-08 4546.327614 5882.350394 2777.471695 2280.35264 6207.461678 7146.342708 3643.25622 5813.419613 8366.165728 7918.48569 11920.07349 9248.309237 6381.223739 5011.604676 7456.026842 5597.826936 2155.905564 5397.724246 3149.66452 5796.641809 3642.334506 1707.389371 6108.387101 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole 5419.01351 5109.531037 7855.882449 5547.112276 8551.749521 8956.029851 6755.399161 6841.241631 8930.921003 1330.524798 4.07813e-08 1259.744418 2968.525433 1325.039877 475.4442605 4.07813e-08 430.0324834 609.2314403 11848.44391 10097.97333 12560.4171 8841.092866 19755.91779 12880.47334 15409.26239 13159.58135 16143.3353 833.2672758 1387.971021 551.9901265 866.3814971 2338.76697 3100.214259 2663.841324 585.5534424 1541.940421 10583.54303 10738.55826 8112.444165 9759.263896 11762.83103 12390.85789 12059.75359 12559.22421 17102.33365 7060.621345 10134.13377 8228.018573 8366.714118 10579.75026 4726.873771 8736.85384 4123.744611 9050.064499 3-propylmalic acid 10614.63211 4733.682824 12901.19592 10234.03746 11719.19599 6150.358885 7419.457432 8854.32239 13557.41378 2435.873928 2791.388492 3376.288618 2229.52182 2767.910587 2240.502646 997.4943449 1590.599646 1998.104779 15849.56488 8722.577774 15233.04811 9851.854247 15195.71697 8193.081266 11301.59723 10147.97696 9293.622801 1016.051644 4318.215885 1759.335492 1654.297693 3065.068208 4672.197686 2415.014442 2288.621765 1569.19588 15528.82541 11364.75218 15969.51009 14041.65018 15505.18447 13738.79376 14549.58304 11233.95518 13932.83215 7649.359118 6333.017373 10290.98305 11592.16532 12651.21071 3251.125008 9338.957662 1555.851959 9417.803947 Alanyl-Gamma-glutamate 104187.9646 131116.1614 92856.86625 153926.1333 128648.9787 81773.49108 116982.5216 116944.3563 129053.971 22116.90063 22089.47434 31517.25368 24356.09273 27179.40337 25703.69163 20813.4636 11796.33425 12637.67227 60693.55287 53607.41014 75903.76475 57547.69487 78028.12385 63981.09321 68077.90014 67479.47866 75212.93494 30850.30238 20608.82818 16310.57474 16611.47422 23475.5202 29317.3113 27185.5375 24508.6009 16718.01145 65311.93814 69662.87133 82457.9605 76549.43952 66199.60512 67111.90328 57549.9362 61491.21711 69220.21223 43751.41364 58168.27521 61778.59716 81660.47036 120544.6026 20309.02262 64315.52597 25058.23503 73816.35194 Dimethyl 2-oxoglutarate 11319.26093 14284.10568 11678.50602 14639.5427 17180.65711 14498.30911 12895.50384 14919.19695 10386.49725 15550.29486 12982.56591 16882.63861 14961.08792 10997.6526 14781.5492 9171.170167 6963.467521 10776.42619 13676.44744 12579.28178 16214.72377 12375.01118 15899.02836 9647.679712 17182.70028 16554.66808 10752.2408 14880.8925 12904.01752 13090.31486 11194.12137 17935.87018 20091.23335 20067.93314 10678.57657 11566.98494 16221.06491 13417.0778 10972.22338 15022.90424 16339.05598 15674.53065 11572.13917 17903.70126 16927.32819 11657.25789 12576.8338 9360.676755 11263.55702 12752.12517 16693.96299 17427.48711 15207.91408 14978.18277 3-Pyridylamide oxime 363.2167051 4.07813e-08 4.07813e-08 144.6558609 4.07813e-08 4.07813e-08 362.4766509 4.07813e-08 4.07813e-08 12175.66713 12078.39515 2248.063476 11441.0731 2586.110096 2062.597799 1555.436141 3844.167681 7195.918175 379.0183199 595.317246 442.9567933 278.0110581 584.0383336 261.8399016 791.2107577 386.4004921 4.07813e-08 4.07813e-08 15062.23561 3565.889423 4782.333634 16506.57986 5586.113601 6523.989186 623.1892973 2067.329286 4.07813e-08 4.07813e-08 396.0994233 359.780383 723.3342135 541.0657171 508.2191598 403.5145018 1635.661613 4.07813e-08 216.3499512 4.07813e-08 529.3847557 4.07813e-08 16341.93344 255.9795153 12060.32034 231.6427064 3-(Uracil-1-yl)-L-alanine 7811.904822 14155.35084 11134.05344 4488.295436 3050.048469 5740.318248 6790.26289 5280.747618 3151.8273 1122.506343 4.07813e-08 4.07813e-08 718.7695474 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28232.86092 21900.14715 13289.79662 13907.17314 3018.866089 21296.1836 26163.04118 38405.26811 6576.762628 4.07813e-08 4.07813e-08 339.1933162 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21908.29674 37494.83907 10385.82293 5810.495731 15797.03313 11209.94298 16294.19443 24906.60714 29876.01937 4123.027455 3124.398377 7095.401831 7363.929046 7680.199353 321.7418545 14758.13555 489.05934 6975.522304 L-Pipecolic acid 2611.642767 2662.330511 2629.908292 2375.426961 3078.204477 2217.238367 2444.792451 3027.510541 1880.278658 541.5253725 1034.396265 997.9197114 923.4068402 1201.173225 761.7647004 1404.533485 1290.08154 948.6357773 3281.317796 2568.382327 2891.991423 3887.508644 3284.029079 3207.257938 2280.623095 5097.790744 3540.83698 1192.462889 1333.269271 881.6919633 1497.130106 227.1756225 1394.979508 612.9053755 1788.709055 1385.437588 2713.362056 2311.479616 2490.425192 2795.014375 3942.050195 3050.146926 2315.915184 5329.62735 2981.963858 2037.362895 2434.210421 2174.760289 2706.551524 2513.645607 1157.040031 2072.445543 1257.744694 2135.481926 3-Methylhistidine 36791.88825 25068.79946 32055.80914 27311.05987 32609.90148 26230.80347 31431.07939 35091.48189 24087.68669 10918.76142 10218.35354 6061.029078 11676.83395 8830.691863 8880.410287 5522.572985 5727.318673 5634.190316 43967.12294 38241.37104 47697.61033 46620.04199 53943.01242 42230.7025 51494.72079 52267.46317 55241.1428 14800.21784 9461.226986 7958.56271 8841.54449 10874.16525 11859.27198 14037.07711 6703.853094 11994.05366 40931.66672 42093.07664 47491.0707 46144.29387 47043.43703 45797.76853 47030.79977 52817.03597 61527.26877 27483.86812 28075.66928 36253.26192 40934.44303 40439.32151 12058.00034 39957.65106 10510.28285 40257.2174 Spermidine 7007.169691 6105.656324 5666.154735 7923.776248 3202.073616 7305.412821 9493.738145 13831.92747 15205.66715 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 855.521142 372.5380644 1532.160618 980.5867343 3473.645192 3960.202529 1364.379955 4.07813e-08 4692.268009 215.011314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2479.963943 6709.117906 4801.094851 2077.755196 1018.878753 919.9273116 8292.879267 919.7451627 4.07813e-08 3101.165389 1448.061616 5478.190684 4817.387388 5349.24152 4.07813e-08 3598.70438 4.07813e-08 7360.689446 5-Hydroxyhexanoic acid 2901.341627 2265.249409 3090.583886 3789.126631 3626.991216 3266.4611 1470.834642 2108.628682 1879.364518 488.3354443 395.570157 110.6587619 407.6880348 683.7826375 153.5563643 877.5548402 644.6532472 401.6457292 11317.99784 11726.96366 5714.112382 9010.776098 8818.181473 9131.400915 9837.779587 13333.97696 10516.43046 508.1281028 724.1732448 637.0963457 216.9125593 596.2076286 519.147771 298.1884318 519.4491961 637.5696639 4410.141836 5823.30378 4585.77011 5782.151324 10666.66381 9609.910964 8695.533643 9066.967243 15751.26803 6773.594566 5450.403183 4208.393409 5285.36528 3356.038833 346.8750771 5771.778927 614.4217662 5180.057827 (3xi,6xi)-Cyclo(alanylvalyl) 5811.707418 6775.1235 9672.594811 9987.16625 6939.41655 5082.961676 7970.241806 5673.134645 3701.231919 943.6549316 1644.533799 207.2350439 2012.00731 240.0527637 1253.725887 382.1980056 238.9349075 4.07813e-08 10671.32201 13937.01953 13032.70416 10904.28684 11533.16407 11941.35193 12260.6354 8664.682461 10715.35026 711.3785419 730.4215256 1029.350558 910.7282263 1320.804514 691.8115659 2709.856163 903.9755173 2725.86684 9141.048649 11678.87009 7115.294143 16783.60423 8552.418872 11994.4943 12312.6771 11441.17299 14567.65193 8683.379084 6757.899623 4772.730656 5687.510832 6092.687677 1370.643586 5433.060016 2280.692208 9288.646467 Vanillyl alcohol 26293.94085 24138.15486 25395.01634 25382.69024 25589.27905 22004.54505 20083.20328 25135.36564 20292.19893 11402.96341 9385.769705 8532.600062 12200.97099 7849.930759 8933.520053 7017.929325 5809.837841 10472.45043 35747.74816 29801.32208 31013.91704 28997.28336 30653.48404 32503.30724 26524.89094 35194.94234 32567.75278 12112.57125 10746.86102 9358.74538 10858.90514 11291.99122 12044.81798 13206.03147 8281.53041 9139.194552 26196.03148 26274.15189 24554.28897 31456.03729 29229.53342 30313.10831 33336.26183 33709.01607 33572.10205 29718.70844 22130.77473 23130.69135 21412.3859 19618.17026 10698.79898 24499.83719 10128.84017 25110.78122 Heptabarbital 35818.81508 26562.06887 27464.64256 26217.65518 29740.51901 32405.61658 24849.10122 25561.74869 26728.93426 14406.33016 10014.00207 5563.577423 14300.65291 7978.64383 9099.377287 4912.191032 4574.925524 7495.769962 61862.38555 52143.13047 49006.05644 42944.88287 49100.31788 48919.72656 48365.20327 54672.94628 51733.04192 10379.80719 11556.3506 6865.865689 9694.135251 16518.4326 12311.28857 15466.36583 6479.227207 6627.004771 35538.35735 45853.28693 41969.96562 59967.35532 44644.7068 53307.88148 43612.63962 46627.01622 63270.57621 37168.21699 37329.69504 37670.03334 33631.93889 26059.24998 18921.71542 32223.18258 15845.20338 33532.25819 Tetranor Iloprost 3342.354589 2372.555065 3298.725996 1841.331221 2964.311671 2176.580253 1894.577977 2034.014973 2225.258063 1566.688837 1708.757556 798.0378637 1838.024763 1390.28367 936.5242443 2064.264572 1526.687006 1839.104784 1505.977393 1306.124411 1346.229868 1592.125945 1600.034461 1999.635888 1774.05711 1506.271076 1621.97779 1620.197513 1994.85514 2030.877044 1882.338749 1494.357194 706.3094053 1266.154464 2077.253176 1592.774676 2304.470165 891.8272583 1455.513275 1619.533579 1396.3088 1581.658055 1410.994871 1847.259417 1497.066564 1591.595458 2105.414557 1185.925244 1727.160136 1534.413553 1623.61211 1509.755706 2677.267928 2285.80415 Syndesine 90172.86662 98545.81211 73427.2493 107332.8579 85269.76086 83183.16398 96947.87721 121886.6958 109582.4432 37769.70577 36798.13976 60907.89006 36742.65006 39927.42965 32405.33877 33071.14425 27057.02808 26126.69707 80957.21961 72030.80938 85206.41864 58192.57151 89511.77496 76015.546 83060.35938 78346.07018 95709.39182 37577.27299 27800.55402 27895.76217 27001.96739 30908.54695 25738.62501 30108.54952 32661.34126 26436.14503 55403.81323 85619.91785 84291.82113 96395.45083 66880.20608 82344.23551 73429.29553 80082.42506 83505.41489 72328.49902 69538.46018 69381.2478 84923.08751 110491.6977 30206.41542 71567.76752 45811.56355 64055.62333 N-Acetylindoxyl 4828.177172 3501.550477 5148.0025 3851.891123 6177.22618 4818.933646 5608.070787 5260.359489 3077.992024 2980.060496 2475.39935 1585.275196 3510.429462 1326.266543 2450.052565 1267.215266 1483.282767 1526.714324 6584.011627 6302.513646 13674.04718 5322.019729 4124.977566 3672.797729 5669.311896 9869.978422 5336.907214 8985.773214 6352.140006 1786.691274 8172.037865 6390.657649 3752.563596 8335.68001 2413.031343 1734.704601 7246.764235 5127.067469 6046.536347 6252.189979 4626.156361 6080.204419 4309.938418 10163.31282 5167.925437 8121.804989 6078.176627 6543.563211 6043.287231 7792.804433 9265.96793 7368.336747 6430.396832 8107.015227 SECNIDAZOLE 948.8405958 716.7804019 1158.828454 1080.332402 772.0595619 1491.618634 966.3561709 779.5702946 133.9403911 293.4728634 310.1256065 118.4190766 108.7127356 36.11699988 287.3070351 199.3320184 4.07813e-08 163.9626396 1480.915324 1555.446981 1776.843102 2086.607291 1674.01834 1532.36012 1421.241839 1873.237755 2107.315011 289.0926004 444.3517999 241.8872514 129.0094926 250.9482972 440.2736284 485.7502375 4.07813e-08 128.742962 1204.490954 1917.025882 1906.510614 1494.926802 1578.132419 1838.375462 2018.426846 2807.65391 2986.493815 1509.700604 959.6770477 1207.593286 794.7203781 869.8068904 604.9194431 1022.136634 229.9184693 1099.30418 Ethyl sorbate 5569.038968 5511.576666 6274.5153 6006.611107 5742.649381 5116.933422 4998.616171 5698.480404 5941.540921 3854.562101 3068.163068 3574.140128 3670.223907 4302.739013 2818.598015 5136.034136 4418.622638 4973.998594 4018.665241 4155.891322 3841.781119 4027.377016 3737.022332 3645.093259 5005.088773 5097.432231 4220.280916 2917.715085 3589.246214 4715.470385 3830.503926 2904.948757 4687.824331 3620.237033 4047.218205 4438.168258 4611.046266 4100.690455 4246.986932 3423.028944 5385.189009 4483.231006 3906.139862 5915.316931 4758.197762 4771.782552 4063.450974 3889.24845 5445.374401 5996.703821 3622.498492 4598.350416 3956.871548 5587.463041 Allyl crotonate 1286.789628 1362.308501 1166.150785 999.0499614 1312.595358 1264.87404 1248.663547 1395.371578 1440.332797 878.4234931 816.0201476 885.0183577 782.5952894 966.957771 647.7688051 872.0122057 781.3738831 971.7813474 1109.21007 951.1314778 808.9049872 934.6920002 841.8646344 826.6489798 1172.799562 1038.756304 1166.688613 867.5836824 692.6165319 1269.143941 1002.879223 676.6430244 926.2875011 807.5188574 1013.396614 1136.630165 1146.777048 996.6731689 914.9059284 641.3549796 1311.429889 1118.388045 1037.661102 1432.113679 1047.014884 1001.178002 1012.202381 1023.676263 1156.664714 1064.198556 826.3360375 1071.667617 923.254757 1140.821541 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- 761.3307922 1894.937895 3063.171403 5829.276353 6764.169392 3376.099688 2737.863501 4.07813e-08 120.5774456 517.0732062 1098.467411 2564.088658 391.9404901 2377.19052 698.5009768 1017.310245 4.07813e-08 4.07813e-08 2517.864028 2449.689035 2057.129643 2122.589617 3290.094244 2297.805204 2391.110164 2268.90209 2059.354696 314.9352661 765.0500864 2584.761777 233.5171054 1369.924836 1527.922565 941.2482021 712.2534652 1420.033938 2151.991962 1937.281907 1640.81253 2643.609547 1843.396443 2819.934248 1993.771332 2426.130399 3317.673376 1966.171317 1491.498889 1697.318836 1872.945499 1565.058502 970.6224897 1113.43457 631.0726545 2594.283619 Indospicine 328.2073712 326.4341454 369.7294706 192.4994899 499.053485 399.5481751 392.2554834 486.1396247 219.7412004 109.1285955 256.7128874 4.07813e-08 202.3036105 4.07813e-08 106.1311262 4.07813e-08 4.07813e-08 46.93501123 660.4616051 838.9284929 626.6042568 683.9991329 653.1655677 870.753603 496.9324754 950.416157 621.6150675 80.7347791 100.9574466 41.42530043 4.07813e-08 109.3835648 4.07813e-08 188.6008856 4.07813e-08 4.07813e-08 553.368741 673.4219847 670.3221755 593.6604797 623.0555701 486.9661751 876.4757743 686.9875441 1155.987506 1216.451967 902.6331541 469.0846147 450.0181131 524.9892899 130.4463248 446.7348782 4.07813e-08 335.5595299 N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 2161.788513 3615.058236 1313.688139 804.1040891 963.1650975 339.1487047 4142.819401 4216.468267 2704.790369 0.661862322 9.562529721 4.07813e-08 17.61122251 4.07813e-08 4.07813e-08 4.07813e-08 0.17287837 4.07813e-08 230.9085135 7094.565449 198.3067024 927.0027694 4263.627649 10363.57877 3833.025963 870.5581016 1999.117186 65.19188871 4.07813e-08 8.041202653 8.69440468 9.74951441 7.508274392 15.69332753 4.07813e-08 4.07813e-08 1619.475523 4251.475729 94.26067118 798.2089055 1286.641597 1383.268621 8979.986551 613.6836015 2455.992527 4016.026814 2986.561817 487.5991704 452.7783303 1302.443083 4.407025714 978.8667955 79.52201466 9964.05821 (R)-(-)-2-Phenylglycinol 3309.658068 4532.785817 2693.74391 4171.698069 2977.761862 2532.504736 4228.89839 5035.059421 3793.645494 2484.454358 2831.392055 2484.240052 2788.298778 1528.448736 2852.405917 2315.961682 2009.368739 2189.729624 1198.324353 1625.098479 2271.924103 1219.31573 1763.796062 1421.732887 1452.531035 1650.191124 1453.376581 1894.467085 2710.643516 1901.33938 2400.347903 1990.292097 2302.393822 2699.065761 2205.242352 2016.968838 2127.959233 2041.83923 2259.307492 2022.730943 1164.362607 1368.060972 1308.813955 1234.090504 771.0025565 1064.546777 2107.012595 1609.881897 2861.269666 4151.730059 2330.688818 1636.040858 1894.320222 1440.248397 2-(4-Methoxyphenethyl)chromone 5177.210562 3288.612559 5683.011168 4009.799794 6411.788076 3885.927576 4358.189578 7466.257196 5668.8168 499.4781099 592.5674403 522.2588159 449.0198482 604.0506371 310.6992122 162.0926263 58.80073175 258.0352897 6383.49574 13177.22257 5173.466025 6966.192846 15831.1171 15610.98635 13436.69433 6255.889018 15140.31598 869.6930027 294.1364712 575.7677529 253.8287073 1661.078079 912.9240692 1343.507505 59.22591483 378.7055007 5225.901219 6816.553558 4441.713462 8420.67339 9872.289395 13074.44294 14295.68332 11112.4197 8496.191377 10309.00411 8105.720264 5663.690581 4511.156825 3527.377827 778.4250417 5734.115894 824.8327701 13245.64651 Indole-5,6-quinone 1450.055872 877.3574505 1468.474646 1456.877744 1397.267308 1891.966964 1674.240586 1298.083635 1263.029383 136.4743063 275.2431829 254.5591141 175.7767121 362.7259528 123.2892966 228.8263147 36.48032353 306.3372017 3155.844931 2194.454855 3119.836948 2544.315613 3022.771468 4113.878995 1484.957106 2360.321424 2945.060755 125.8668016 266.7487278 357.7673205 285.4706257 165.0421413 296.2202949 126.1449636 227.7173155 409.551763 1329.344923 2927.337851 2594.145882 2943.661853 2550.423388 2361.092185 4033.796925 2407.292644 1659.256928 3268.155946 2250.456466 2492.672319 2185.90522 1878.219462 238.8517332 2128.192802 457.0429958 3064.71036 N1-Methyl-4-pyridone-3-carboxamide 900.7423386 694.0477067 1352.857777 1089.260841 1427.591034 841.2126249 601.5536836 583.2876643 415.0469299 547.0509652 654.2383163 501.3951913 553.971008 598.2374614 730.0975469 914.7100919 334.6221002 431.0097887 435.1959477 862.2077451 563.3374521 1096.957391 530.3554466 565.1889729 721.7169294 698.7450501 885.6493198 584.1282294 657.6015476 728.62263 897.964628 545.6215906 447.7085568 534.0919878 766.0473616 760.5711097 790.2770305 548.8092428 759.9176305 346.5028039 328.059255 636.3562663 685.1589999 699.7970379 645.549371 966.4240039 459.1264393 595.8048197 237.3023669 422.0002706 483.4444137 541.6967833 627.3086081 1027.107108 (2R,3R)-heptane-1,2,3-triol 2107.672128 1746.301682 1718.857622 1400.455559 1886.270312 1621.771804 1635.705117 1135.740072 1213.827611 1077.098599 804.6692612 785.9044335 900.9121126 1025.631466 849.5307369 1305.90125 956.8961123 1131.573684 503.9133759 637.2735103 652.0618543 855.0079747 712.5833737 557.0791988 1155.002264 793.5297627 1231.889843 984.8802794 1466.748937 1097.628893 1197.872592 1027.121191 933.6645364 570.1590184 1281.642936 1318.913825 1137.99344 787.7464354 899.6489486 604.7241464 649.871303 664.2126947 947.8442947 996.3750803 1138.931748 936.4552506 1265.354165 984.1476875 814.4944441 810.3455957 1011.341592 963.2901145 1684.113254 1703.991197 Pseudooxynicotine 4751.397306 5961.094316 8629.555546 2116.949692 2014.828646 9275.072219 5684.78383 21962.56764 19977.01528 0.001152682 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12.36738405 213.0111928 5710.716742 5823.59528 10346.44968 4774.129076 10476.02154 8346.852092 4952.344015 4501.981311 12909.26969 4.07813e-08 4.07813e-08 48.16770325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2579.56313 6981.073967 9060.226537 10976.7726 5805.474915 7771.063005 10294.48631 6778.739036 2465.526637 7470.286358 4722.387077 5724.121811 9237.839647 12660.77551 4.07813e-08 7419.415215 4.07813e-08 6642.464229 Toluene-cis-dihydrodiol 4914.164392 4515.000015 4554.881272 4259.210172 4593.01257 3611.07259 3972.219162 4600.08121 5064.425196 3003.749554 2997.169329 2615.243995 2867.949591 2588.827799 2609.948831 3450.531421 2982.719572 3029.324587 3120.240691 3340.690011 3058.217679 3098.274463 3327.474665 3123.611939 3761.828923 4081.949322 4283.995773 2680.813741 2805.535942 2987.535035 3216.123428 2568.844676 3158.489946 2635.097929 3201.573481 3209.620584 3831.123104 3081.908257 2852.221824 2828.965516 3217.9729 3549.370857 3733.668909 4066.28643 3727.250491 3741.168583 3287.944467 3379.601922 4145.079726 3680.718611 2532.147986 3625.462898 2892.844756 4500.017529 (S)-2-aceto-2-hydroxy-butanoic acid 4419.726442 4119.437756 4237.112975 4249.257698 4091.58372 3425.305594 3345.681453 4392.140321 4171.795715 2752.874196 2632.492114 2314.866673 2680.628836 2547.250445 1911.442233 4134.536201 2596.172326 2970.251868 2647.955736 2720.172098 2634.724623 2695.47975 2759.161859 2478.779202 3537.686718 4175.566772 3340.392425 2293.479031 2640.095764 2857.987336 2804.7466 2692.612735 2971.010447 2722.368338 2844.89424 2996.465119 3106.042606 3039.011319 2713.559672 2714.37596 2841.028041 3109.694638 2900.858515 3860.534183 3201.933153 3066.024201 2946.82788 3064.328497 3383.126034 3624.956199 2306.950385 3162.576792 3364.57067 3572.078186 Pantoyllactone glucoside 0.012077947 15.43252559 0.051556498 1.288984609 28.67161493 88.40405453 8.394202175 4.07813e-08 0.686956828 5941.931873 5308.715004 2535.724547 6967.917108 2958.10591 2160.806157 1360.755806 1547.953319 4574.507952 503.4745663 53.18306616 759.8477857 4.07813e-08 270.8962837 210.9617759 6.086321826 210.2728427 18.81736025 2833.700911 3019.394358 6657.59473 1419.78971 5990.225786 2537.570651 1772.233739 286.4312512 5175.671381 4.07813e-08 1.207588952 0.862294068 14.77597098 8.570456535 72.24016739 356.0745424 57.11395728 411.1459033 5.224553013 65.1580226 3.806819983 12.04672592 8.582681067 5290.801017 1.332940322 5395.361234 4.53978944 3-keto-n-caprylic acid 1191.23488 1428.741455 1514.974672 1088.958291 1455.514559 942.2123824 595.9828607 879.6246408 1375.041244 835.1151385 894.8710012 532.0458697 533.30768 859.7649511 438.1089963 1483.283257 838.4687593 763.7924981 834.626089 1141.608098 921.2370297 939.7988055 889.9042471 885.9108584 1372.960859 1042.615597 1045.97882 711.9017988 943.0260132 791.2870295 1084.607088 627.2449064 1121.482293 649.1335001 836.7842872 907.0288295 1024.912885 844.3469857 958.1581746 757.0586185 962.8189575 1235.093765 955.7595989 1156.024196 932.6079747 791.3254953 991.6750646 659.0394413 1066.669419 931.294423 893.3377204 979.0925257 733.2106759 1284.125644 Vulgaxanthin II 4.07813e-08 354.9906147 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12446.22716 9486.496632 7944.114578 13041.63616 4826.365628 6650.407847 3347.391083 2469.874979 7945.784477 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7425.191167 8551.360955 7334.894925 5303.797771 10538.36726 8463.178795 10540.05899 2543.310026 5798.854874 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11163.08217 4.07813e-08 8296.281543 4.454243676 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol 1466.342465 1218.357252 2074.401573 1638.61538 2090.527044 1489.081924 1470.061762 1376.389156 1800.229691 2130.827898 3495.739155 2863.734795 2272.779637 1419.01826 3060.219004 2101.740367 620.6596993 1300.671112 3496.251871 3952.631356 3206.536538 3239.260876 3816.407342 3821.520312 3194.197612 4165.673935 3732.335842 1613.860062 4188.348754 1851.582922 2247.576936 2019.80331 2111.202715 5087.260171 1870.48198 2340.805852 2428.606011 3748.785331 3384.339424 3717.665502 3745.581337 3795.037715 3799.607248 3900.823176 4429.071455 2035.393514 2334.20337 2297.505396 1832.676777 2659.40754 2204.741342 2286.606148 1331.627813 1908.251343 4-Ethynylaniline 6088.874388 5891.360428 8433.512587 7152.554043 7530.388055 12207.05887 9123.549924 9518.286601 8819.851118 2773.812046 2219.931034 2501.87567 2499.725147 2629.793512 2548.865582 3009.286477 2942.487879 2758.876511 6916.286689 11505.26714 9027.80035 9113.729574 9767.009476 11996.93589 8586.568802 6507.096317 3815.796821 2685.130961 2726.211513 2810.016408 2969.230171 2763.886867 2806.60248 2465.273345 3012.975977 2851.067546 6659.138494 6426.203276 7041.760561 7504.051704 11647.50424 6243.439036 9789.81178 5900.213813 3655.929882 16408.91121 11313.17871 14003.82011 7988.521376 6871.593438 4993.177934 9859.619807 3492.708226 8346.476287 2,5-Diisopropyl-3-methylphenol 7143.905356 7597.208836 13946.5782 10401.4775 11813.71318 23498.31957 16655.38477 15716.34211 14644.86076 2032.461132 1841.138113 1919.968639 1877.616412 1987.103407 2002.587601 2004.108521 1965.19901 2250.857682 11098.46924 22022.8689 18755.19183 18447.77872 16247.52688 23797.87111 15088.18277 8834.404135 4428.823375 1692.225731 2065.032393 2230.438593 2049.999665 2105.845273 2049.134435 2202.152092 2263.35045 2360.373099 10721.2378 10991.00022 11539.49803 14921.6805 23076.3698 10047.00459 18724.51646 9518.611274 3553.08535 32883.82071 20469.35889 26033.71742 13177.54573 10770.30892 7007.849798 17801.45141 3761.299734 13390.01972 3b,12a-Dihydroxy-5b-cholanoic acid 6467.319607 7696.878414 16215.52271 11059.32378 10315.56778 26831.63125 19489.42076 25676.9205 24084.35058 12114.25812 6853.635979 7580.904371 10080.10388 9108.032762 7975.743161 2183.33507 13401.24282 10963.0517 21143.49656 37044.28379 22912.77502 22410.10464 24933.5986 42833.7508 24280.53697 13300.2682 10753.37731 3053.769809 7575.66827 5475.596134 4750.120111 5022.609448 2171.690576 2111.494214 5431.93065 4052.582772 12005.62389 13759.17535 9865.142656 13026.96268 36053.73969 14460.30395 33852.09428 13026.78984 11853.99841 50401.85735 27784.84318 39279.43642 15458.82803 10746.77368 9734.775419 20622.99124 5387.612862 18051.28346 10-Hydroxy-2,8-decadiene-4,6-diynoic acid 5384.836806 5872.46815 4681.795832 5465.862288 4875.833497 4279.642261 4206.180779 4504.546312 4570.816199 3346.490933 3283.448949 3244.009272 3422.537445 3330.091144 2876.358291 4233.740138 3178.88352 3758.925691 2939.027227 2145.972288 2194.006262 2634.727274 2545.576024 1993.307775 2999.968786 4235.068039 3687.0962 3197.976382 4006.794046 4030.773115 4212.643756 3683.683384 3466.577086 3344.440709 3674.164999 4259.73031 4060.154278 3582.028788 3524.570557 3260.940891 2606.623704 3079.059185 3511.118057 3872.837303 4188.564826 2372.917525 4250.578449 3121.045962 4210.613634 3337.876787 3180.885036 3550.416539 4285.057569 3792.470889 15(S)-Latanoprost 15.02796371 2153.945066 2392.399292 1467.458759 2455.106708 5649.164537 5230.632594 9214.516873 10130.22856 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 185.3212896 85.94268018 134.7669703 241.0225139 4.07813e-08 7063.864378 6743.387321 5901.590811 4400.852456 2829.687962 7422.958184 3607.813774 3063.514462 1679.667165 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4945.837743 1371.467715 3678.532953 6292.427515 4942.41339 3888.351671 6424.215728 1837.768153 1383.854658 37477.59949 10919.32376 15839.03608 8386.512784 5801.421131 9966.689753 15251.84244 1873.474326 10017.98191 (2Z)-2-(phenylmethylidene)hept-6-enoic acid 11773.55083 8245.141131 9636.84235 9318.162467 5776.964756 6359.030455 4596.135673 9995.931708 9191.975256 2680.109865 4570.880832 3416.295613 2569.769759 3000.962985 1154.404096 1647.307487 5754.936513 4697.719994 3845.873806 3504.082916 4049.716764 4712.909973 2987.130888 2063.810386 3395.403021 3313.6149 3388.428031 3245.193202 6336.622564 12111.96673 6920.133536 12312.44414 5036.230594 6096.62794 5620.50026 8301.44962 11315.31588 4750.260042 6134.81285 4826.778275 3791.929978 4206.321733 2062.50375 2803.520917 2857.445014 750.1008985 1434.171781 4903.082249 6987.997048 9084.309406 5612.611547 7956.594635 7899.726175 9801.047083 Methyl 4-phenylbutanoate 10327.40719 9725.724917 9885.359456 9451.753308 9419.140283 8472.552988 8604.653808 8618.027268 9379.160718 6335.739519 5850.197373 6150.244166 5955.050028 6575.159195 4951.252533 7435.493373 5255.005238 6885.342671 6522.834621 6767.925619 6505.042874 6661.136893 6189.620176 6567.722908 7874.534448 7857.703835 7139.457417 5695.157065 6316.938327 6989.624524 7304.919937 6122.84919 6173.037964 5379.632243 6911.785844 7050.587638 7488.353047 6662.371416 6962.85234 6307.532698 6309.296197 7007.504373 6423.644455 8417.158407 6572.25343 7024.37936 7634.966939 7540.828869 7411.635301 6678.571258 5127.941611 7835.548188 7190.256207 9235.419381 N-gamma-linolenoyl dopamine 5766.037278 1815.151826 17766.80955 1808.11674 6716.651778 28158.38246 10778.62041 6822.260907 10198.82626 3.854372998 4.07813e-08 1.454169189 4.07813e-08 12.19626173 84.75976479 4.07813e-08 911.2341796 432.6813555 22470.19916 49935.26112 36616.34697 50597.58465 62382.75593 107852.4827 45128.97825 8270.320194 7370.713045 4.07813e-08 4.07813e-08 135.5511548 4.07813e-08 4.714264554 4.07813e-08 4.07813e-08 4.07813e-08 4.61346358 7541.038481 23503.44742 20668.88195 48309.53636 40477.9018 53346.33318 83473.15853 11602.87417 10823.16572 80238.76334 36831.71933 42907.69029 13110.97706 11424.72978 3064.437628 23315.36096 4.07813e-08 18064.56393 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate 7706.903368 2850.099191 7509.714407 6553.31361 9010.849504 5629.026935 2924.122789 13219.0088 6644.321977 4.07813e-08 4.07813e-08 121.6328194 4.07813e-08 84.77743313 4.07813e-08 4.07813e-08 193.1884903 3543.262089 8514.508198 7335.912291 7809.951365 9839.972415 3643.387658 553.5642056 1430.376805 3266.187918 138.1143932 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 138.5285198 4.07813e-08 4.07813e-08 4.07813e-08 2908.093942 8708.383766 4882.205884 7775.999683 7840.727277 12534.14922 1724.792861 325.6017561 2798.649756 4.07813e-08 7427.175499 11659.21159 4699.666399 5883.300456 5119.175915 4.07813e-08 6878.049025 600.4519747 1619.081846 (1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol 4283.735596 3729.291146 3873.479084 3698.196174 4335.354844 3372.205062 3700.124682 3397.060183 4344.189724 2893.384997 2504.019047 2544.932998 2669.896532 2691.879312 2012.712877 3118.575833 1997.376871 2781.379448 2847.857774 3022.626286 2254.592492 2660.369401 2800.647701 2658.767246 2853.273825 3484.261702 3014.891506 2493.542373 3066.330487 3042.254107 3189.566367 2175.392497 2586.720783 2135.420262 2998.712621 3143.833175 2926.165456 2674.30583 2578.902977 2603.990323 2565.187328 2748.263678 2434.119134 3442.65682 2784.050538 3580.002453 2968.133176 2970.204871 3218.613944 2842.623707 2082.145331 2915.255454 3163.220208 3764.057562 heptadecanal 6627.852981 6615.414608 7284.160224 6016.664285 7046.198348 5404.94861 5427.39062 7056.533702 5416.635717 4254.988363 4388.508842 4518.788843 4227.146166 4434.751128 3641.198606 5333.708273 3757.485754 4215.162658 4503.029159 4753.653537 4009.63272 4301.179295 3740.57243 4483.91807 4799.086504 5461.258518 5501.641624 3882.789001 4532.4987 4469.400878 4579.131701 4710.568688 5044.235992 3713.205071 4841.45402 5121.705248 5998.867065 4109.114331 5063.686121 3416.416871 4194.32928 3866.021342 4292.906451 5589.109071 5279.271436 5202.722565 5098.333271 4611.278482 5484.312025 5000.944843 4530.904349 5053.920665 5329.155112 6753.178425 Brassinolide 258.246997 3454.722638 1284.491617 4189.419459 3075.006696 4.07813e-08 3181.977588 1410.721716 2426.444375 1662.38794 2368.902822 1874.305491 1619.339767 7281.493914 6068.255495 2110.972117 33333.22797 5369.221049 4.07813e-08 276.4088299 404.1796878 1300.032198 147.9243653 144.6374134 190.2884431 2042.968205 4.07813e-08 829.0766792 319.1107538 126.9583549 4.07813e-08 124.3703384 399.0135843 158.2627888 2194.369409 326.4169729 1044.14137 4.07813e-08 4.07813e-08 423.9129212 2213.477704 4.07813e-08 409.1530023 1160.557363 4.07813e-08 1031.797427 617.7558812 4.07813e-08 242.5081627 221.7781942 812.1321941 4.07813e-08 169.0814499 416.900569 Myrsinone 8633.552777 9169.471717 11605.75081 10155.53262 7572.802231 6632.341837 7635.440823 8113.397475 7137.801099 5560.522465 5316.478931 4900.745042 5789.260202 6884.849772 5397.122809 7331.919124 4265.499283 5508.766392 5378.097043 6252.190215 5830.524048 6073.741698 5863.33192 5027.109504 6728.737698 5768.31275 7057.771796 5026.659421 5825.123054 9070.147903 7219.689897 4589.394929 5061.059625 4967.483794 7902.536399 5864.032188 7325.86016 7916.242327 8258.000322 6996.923024 5726.501228 5010.606435 5771.029668 7473.387224 5809.489932 7793.37972 7629.360301 6845.390587 6636.756011 7421.316496 5039.886261 6109.635097 8742.041894 9529.968213 Oleamide 6441.281023 6752.12605 6699.420726 6686.177964 5597.229819 5222.58684 5871.821646 5785.439151 5628.01603 4358.741679 4524.583025 3753.970349 4002.359988 4756.557856 3266.287472 5175.982682 4119.53736 4806.030963 5082.658473 4148.510127 4687.925061 4452.552579 4259.882251 5174.371203 5412.700265 5639.942289 5099.85167 4558.992202 4021.335139 4739.766907 5130.722198 4326.573834 4277.423436 3835.855206 4963.98928 5688.783324 5267.212999 4678.077324 5017.133759 4182.039798 4508.435324 4709.207743 5142.521285 6071.72385 5958.614797 5857.430334 5327.355584 4994.120666 5196.113058 4845.758475 4072.494035 4962.655978 6077.931244 5446.832979 Millefin 599.1278146 371.9883722 616.8176802 4.07813e-08 4.07813e-08 1948.084759 2027.878519 4.07813e-08 328.3604784 379.4659739 4.07813e-08 4.07813e-08 163.0727393 4.07813e-08 4.07813e-08 3550.158808 4.07813e-08 4.07813e-08 918.9840021 2672.355888 2664.030193 8269.796261 2838.868465 4071.829841 764.1527762 20084.94005 5125.077842 4.07813e-08 4.07813e-08 110.0485987 263.5801666 851.4685817 488.2022694 4.07813e-08 4.07813e-08 133.5541543 19603.72268 5820.735752 3072.231911 3134.334846 11629.76207 1370.956127 5385.784982 12523.60569 6042.558438 4.07813e-08 372.8243788 2362.166559 2172.15173 1678.08012 1199.229611 294.4763988 224.2118375 702.6978434 N-palmitoyl glutamic acid 157.7517119 149.7592901 1810.762074 1085.765766 1250.419785 1311.571684 1017.359058 355.4043807 319.0663017 2409.648882 828.517544 94.5848582 2094.83416 510.4534752 347.0241516 157.6291029 1437.400713 482.8978161 1872.224294 2240.234435 1835.9184 2079.781406 2218.02084 3992.230306 1145.834758 1561.615848 1030.57043 91.13620668 996.212055 4.07813e-08 969.4835146 772.81953 589.7440851 4.07813e-08 1445.496572 101.6356386 1690.546143 1879.988248 1475.626855 2539.610114 1850.103211 1180.202311 2676.511617 1553.656154 2242.702265 2122.259707 1473.717093 1482.712702 4.07813e-08 421.616901 307.6146588 1198.173584 987.7226033 301.9930866 13-Hydroxyabscisic acid 548.7753559 864.1543759 1342.707631 867.1884137 853.4009936 996.7418543 361.647427 1118.379929 1021.756511 678.6312954 1141.371973 903.404987 619.8954772 1028.422015 687.9774636 525.6339688 1056.861045 738.6400975 968.0313236 722.6276199 1090.322403 1033.59908 833.4105223 823.7012648 919.2334061 850.6100528 1193.091998 464.7652273 1114.568365 1284.665071 1240.267453 793.8464568 674.3114321 950.3100649 1787.585426 800.9719249 1238.692554 733.339319 581.9234324 682.5645909 370.9592989 389.3245693 765.0903373 873.7140968 940.6281 625.6180856 1058.949502 462.7988124 712.4577339 909.5764479 487.9258919 1108.461363 750.7241704 821.0176388 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one 337.0400958 740.6939219 617.6936755 719.6882712 344.6887689 752.2878457 478.7533861 892.7881027 629.5693299 3411.026202 812.2870292 9842.917084 2827.928178 8777.959231 10264.65751 3432.357659 14722.99851 6098.584229 284.3421177 797.7493221 795.5201978 533.3744877 305.7964295 691.9576747 288.2150659 354.282694 52.44854829 2633.746115 5287.021579 3208.71223 5825.212178 2177.678538 1975.263501 5965.113337 8498.41078 6845.884097 459.0857799 480.2798541 466.8960475 490.1531786 295.2005599 373.5604589 387.4591125 107.5614396 290.2230984 363.2309299 1377.376653 463.4662578 452.8970137 54.95559212 2262.113628 851.0562788 2147.386822 312.6050048 gamma-Glutamyl-S-methylcysteine sulfoxide 85902.5201 87537.78061 82603.49084 82879.66222 81070.50745 68721.64978 72125.74867 72090.14726 76767.34271 51990.51251 49074.5782 46097.84065 53172.14111 55779.02651 42115.03454 61063.92109 43734.0371 56676.40611 51646.31534 56304.81299 54275.97647 56286.45559 51347.56876 52271.53846 58964.93881 65334.10538 62833.99348 50281.39903 57224.72122 61246.41009 61919.00592 56486.65754 54069.81963 46605.48482 55657.67636 59278.12767 67373.3137 58796.58832 60754.53959 50830.69471 48322.1504 55149.22223 56225.63105 67440.55176 61994.01597 60914.5241 58785.37045 56958.14136 62273.9816 61638.3794 46407.50941 62143.90197 62465.44887 76355.94777 Gossypetin 7-methyl ether 8-acetate 4.07813e-08 575.6083478 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 464.7599319 658.9081529 14364.50455 917.0925812 31363.25646 9813.314892 30142.19639 35127.00435 15095.45642 52936.77627 22813.10541 4.07813e-08 397.6977042 328.1445814 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9783.415608 22885.38633 11457.86975 22879.93025 8814.76055 6586.34712 23928.05299 31510.09268 21559.67871 4.07813e-08 134.8638461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3066.65181 240.1172848 191.141717 4.07813e-08 7933.444316 510.8255555 6087.73954 333.2547961 PG(18:0/22:4(7Z,10Z,13Z,16Z)) 352.531092 25138.26108 131994.7541 104755.2592 124555.1869 314684.5994 224674.1187 98972.88899 102834.8071 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.777520551 9.398711835 193283.1387 207090.6642 169289.2475 133973.1332 130574.7085 162686.4917 72375.20698 36129.8661 2186.313778 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.476880248 4.07813e-08 4.07813e-08 4.07813e-08 150713.7659 28791.5905 154609.1019 98871.38301 86927.46533 39923.77449 48523.99958 32239.80583 2050.229351 223308.1552 304075.132 285141.8495 69779.81759 16947.57032 4.07813e-08 220445.3563 4.07813e-08 176987.4058 14S-Methyl-1-octadecene 16072.40806 16670.72876 15521.61778 15027.09103 15548.65921 9975.208406 13139.34865 12719.65836 15781.12258 9564.780993 10344.52059 9992.103044 9612.989275 9981.536167 8082.130547 11987.99433 8716.553923 10502.49273 8911.931468 9969.244097 9772.252187 8962.040707 9028.777674 10018.88615 11138.89848 12683.1289 11616.52322 9359.090219 10164.38241 12527.8743 11783.43731 10210.40136 9711.87732 9099.628567 10941.99155 12505.38921 12153.99088 9161.096005 10777.43766 8011.57949 8541.594696 10031.57231 9972.033789 13016.57106 11387.69755 9128.979024 8936.109553 11070.88216 11286.49554 10041.17737 8571.514939 9492.229376 12215.5787 13370.95305 Tributyl phosphate 8019.412107 4245.54658 4626.973329 4978.000186 6875.459481 4428.145318 6353.020862 6695.364442 3852.237053 3728.458672 2924.204511 3988.132229 3845.003264 3882.789372 2445.282399 4229.907753 3839.381367 4920.937071 4566.469502 4404.740955 3697.076767 3045.000072 4606.633453 3383.636876 5499.15718 3505.624707 5627.640686 3869.212228 4598.791619 5860.446433 4604.979574 3012.018256 3542.628238 3539.711783 3536.127264 3821.817796 3677.366762 5079.743945 5410.399294 4527.214457 4450.188473 4162.489211 2636.538366 4886.812663 3929.265156 3575.493492 5026.954851 4990.952773 3902.386052 5460.607258 4157.401736 3442.593824 4466.737288 6622.233538 LysoPC(18:1(11Z)) 3142.818312 3452.435891 3577.351713 4457.712813 4486.691379 3031.158795 2379.650523 3473.587196 4614.08808 61694.41516 70753.68447 7001.603086 23623.11248 39702.67573 1895.875442 58365.83351 15409.60439 19698.6768 2815.219823 2392.289983 3829.110236 2933.976799 2310.23724 369.5763423 5647.187409 4752.546041 3860.755689 2814.951691 3998.375643 15962.77437 16907.9275 1025.010343 3971.333601 2093.485345 5002.588531 36460.62597 4430.808432 2936.778932 2816.419866 2982.8303 4255.725142 3081.534816 2433.291673 4136.054299 1958.521969 3624.951712 2491.972133 1599.82172 4298.410526 3030.301509 2138.348737 3247.416165 155444.4587 5424.803892 (2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one 13411.7094 13833.8178 14215.8292 14250.55688 14030.59248 11848.98504 13464.09335 12033.38217 11899.44047 8564.307657 8928.295062 8388.204469 9415.537903 9391.068992 7937.121022 10249.02672 7845.446824 9588.099353 9918.655486 9883.669694 9079.036203 9780.562502 9699.306832 11194.09171 10012.73503 11812.73489 10212.64785 7951.037157 10358.24868 11082.52122 10205.27162 9974.018556 9270.938846 8783.842491 9521.469742 9300.776903 12260.03851 10206.70538 10094.48329 9948.249608 9092.745231 10009.84579 9695.603009 12013.28383 10368.02792 11730.51608 11944.27908 10420.18601 10718.16541 10356.42105 8268.884911 10816.978 10973.15242 12835.74574 Desethylene-N-acetylnorfloxacin 4.07813e-08 410.5372538 493.1062004 4.07813e-08 4.07813e-08 4.07813e-08 290.7844204 4.07813e-08 4.07813e-08 1813.803759 3048.422604 538.7274753 2101.451162 1122.063954 4.07813e-08 1712.235909 121.8560947 405.2062998 392.8544953 116.5794974 346.3851669 4.07813e-08 204.2313425 4.07813e-08 4.07813e-08 2244.805634 4.07813e-08 621.8939245 2357.707492 14660.04112 426.6631875 7092.8621 4115.767413 4.07813e-08 2457.988593 4.07813e-08 4.07813e-08 111.2853119 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 149.5321173 4.07813e-08 136.3694602 4.07813e-08 4.07813e-08 421.0218004 1951.575682 204.2041357 18361.47319 4.07813e-08 m-Salicylic acid 1383.764069 1274.437016 1431.878502 1487.88745 1343.365242 1335.731307 1387.306454 1378.11836 1370.920486 899.6289882 898.147282 845.3752267 1151.052478 862.6628507 827.8312711 799.7454434 702.15436 826.8586645 996.4015134 1035.987712 993.3768258 1093.21029 1200.012971 1023.985684 835.7643981 905.2728052 1052.828972 840.1139733 1160.571286 1190.012003 1133.926625 999.7118476 733.7819449 665.3509196 913.7996288 1118.812617 1358.070364 1146.215174 1181.411873 1205.465526 690.6914373 1172.147654 841.7473469 1111.139161 1391.421983 1369.966023 1211.935535 1286.737432 889.0960581 819.9061597 812.1724973 987.4348957 1092.684654 1432.346897 Stearic acid 87312.33077 85505.99286 81417.10339 86388.67107 82261.64486 66368.60719 69120.40286 80658.63796 81150.81786 55796.27095 52919.01892 50355.91287 52572.22356 51421.17183 43078.00352 70273.21179 52096.32944 59847.74578 55164.39966 58788.12598 51712.25433 51774.23146 49153.85265 53020.02639 63644.00522 69965.61606 64766.86858 48508.35023 57079.83502 60274.70001 55962.587 52589.1886 57000.95446 50493.88161 60866.74951 67029.51223 65609.78366 54985.02159 57420.7908 49885.58859 54283.28617 56275.11695 57962.69966 70480.27054 63406.36663 64120.09299 57894.05101 56280.69051 67424.13983 65385.80218 49841.39178 63568.39819 64794.6911 75850.61275 Behenoyl-EA 635987.7683 653248.6975 642020.3099 681837.2509 614138.3743 576142.6056 550529.7857 591284.8376 606659.6523 427433.0471 391328.0017 375661.2396 400369.331 422853.0592 344386.7681 525527.3744 370275.79 431457.8597 418998.5914 433571.9581 403570.1464 430694.5455 407875.246 416184.7462 445304.6459 513066.1084 525325.0342 368309.2551 435780.9925 486068.2378 511291.1507 413697.0126 421556.5483 374090.0939 439112.6565 483504.7763 503528.4448 430124.0995 452458.1663 403393.5308 377484.6447 411617.4069 425474.9111 519546.6739 509505.0716 507673.4035 473642.4616 458662.2454 470448.8656 511109.5323 372778.3234 472371.9494 476227.8643 558065.5661 JWH 309 184333.7731 183715.3298 169819.7113 173564.7337 177443.5063 142034.7805 156444.3278 137416.3009 161904.4629 139817.3057 126306.6734 109933.4386 112457.7604 129800.3151 99757.29494 137794.5325 111643.572 120576.4578 125222.7943 124586.5726 114669.2615 127707.1167 116413.9867 121409.6844 128030.0947 135213.8632 133657.3192 109052.8952 121792.7406 143921.3213 139306.0459 123060.232 116568.317 108609.6415 125049.1631 140803.8477 141800.7838 118317.4483 122236.4455 117009.5176 90793.92378 107828.8469 123312.7238 140377.8873 130661.4669 136627.5479 143394.6257 124734.2801 126700.1797 131977.1205 101737.0478 137002.0332 141076.2699 161642.3002 2-methyl Benzamideoxime 80694.73061 78929.65986 79435.1026 79686.19439 78238.45568 69227.68168 72235.45934 73767.70425 76402.50539 52840.51589 49065.32286 48711.24534 50963.47232 53409.77985 44149.21183 63380.52764 48284.21382 55897.88528 53417.48156 52967.74063 50704.15727 53440.92412 52119.24323 53656.7771 59512.74494 67216.07672 63376.06731 46723.89721 53702.01173 59706.01854 59395.51453 54709.47123 55484.11602 47730.84017 58087.19739 62497.20405 64084.01002 56156.55513 56934.02156 52002.82448 52617.82366 54272.64114 55053.3135 65731.70612 56912.0436 62941.26964 60520.68227 58565.38742 63046.2651 59905.26152 46404.71035 61475.27882 60810.17944 71966.39875 4-Hexen-3-one 4007.099361 3623.338993 3274.377079 3498.730378 3142.689833 2836.480884 3034.927646 3041.971895 2580.537168 2226.610013 2069.617323 2222.686559 2360.473629 2382.804941 1942.720739 2722.17804 2335.217496 2536.584471 2287.246582 2245.925728 2075.457229 2526.979414 2263.168283 2280.477045 2302.186682 3122.830019 2661.551656 2163.295127 2301.79861 2752.334118 2653.035199 2517.448146 2075.589556 2022.809043 2305.832824 2824.569498 2894.200859 2635.576114 2322.422248 2070.851347 2163.753102 2355.641357 2232.841557 2726.839296 2489.279852 2806.360367 2724.49269 2669.147297 2877.107964 3077.401499 2079.803423 2852.258788 2513.685841 2736.93503 2,4,6-Triaminotoluene 120388.609 118374.0537 115665.324 118350.9501 114607.6472 101248.8559 105988.6522 109981.0679 109877.0516 78028.00604 72424.74786 71987.15545 76367.489 78738.51918 67745.41698 93004.93802 71153.85763 81746.36341 79873.31199 82137.38659 79103.12839 80868.38441 77010.97264 80568.19947 90367.96949 97986.88606 93828.11125 68626.64317 80318.79902 91302.80861 89446.22952 78501.58627 81555.86476 70450.38153 84973.68978 90278.12641 97719.0397 84606.42788 86314.54653 78108.19507 73919.88647 82030.13113 80680.2981 100469.3285 89194.9299 96747.55149 88873.02389 87935.88413 91443.91736 91403.83658 68819.89274 88888.08632 89541.4036 108925.7824 2'-Aminoacetophenone 17443.85427 18523.7053 12024.95084 12323.22625 10198.96153 10239.83652 15953.59651 24738.39785 31763.52021 11776.64464 15896.68785 17065.14526 13747.58604 11931.77673 11946.63565 12906.63163 13999.87891 21629.77061 6882.152932 6382.04394 11821.47504 5400.435051 6305.005372 6387.26684 11030.80171 7676.721374 7307.409506 29867.72319 14859.87998 14241.19058 25276.34297 14480.93469 17758.60442 14627.75409 18985.51237 12561.16393 12969.69988 7217.923019 7400.786961 8757.666647 7144.318076 6028.298474 7935.158996 8784.619637 6125.992147 10620.71993 13627.6862 12622.3805 12802.34029 15384.80112 11550.81637 15061.24097 27296.8384 11675.09839 2-Methylbenzyl alcohol 957.9611666 979.0575373 688.6263436 795.8597179 745.4803188 830.0810667 485.5425133 669.9555031 720.1073222 555.3744545 401.0258457 465.5604851 330.6529062 422.2215213 363.1153405 410.2637936 526.1834582 431.5000843 521.4398637 633.6392676 455.4109262 789.0189585 648.3333858 549.3792581 493.7763018 949.5335497 706.5476764 274.8483824 543.351475 530.5521948 330.5862093 520.4168919 640.6047216 353.6168787 460.6127964 808.629866 767.7065329 744.1440659 761.9877322 363.4217554 580.7823992 854.8883277 748.0892151 692.5835979 901.5337327 506.4989342 509.9249445 816.3468855 736.8416477 633.0311957 304.821878 571.0347473 595.1606188 847.0206187 4-Amino-o-cresol 618.3589917 431.927509 710.7140825 443.0031934 520.2751876 236.4006561 320.6490882 1011.691792 504.8364469 277.1385116 251.9017622 157.6818457 178.4022254 288.1952538 172.3617195 412.7380473 250.239864 260.7917728 234.7573868 184.7686973 195.9518624 432.5547208 189.0449591 98.86801665 434.0316241 210.1341396 298.3971884 113.6840643 366.9422827 396.0349134 177.1329876 342.842025 305.0389101 250.161667 233.8155709 315.9208779 240.6891358 122.613634 98.72091992 431.9361255 157.4542002 127.2668012 277.9260073 355.0291195 364.6539531 407.05774 183.6591686 144.5974793 362.944617 459.0875077 354.9475706 516.7352614 348.9507106 334.3791114 3-AMINOBENZAMIDE 1725.240844 1444.569526 2383.278681 1800.280955 1827.423418 1769.788738 1174.03123 2085.91855 2073.815033 1603.075388 2333.160054 886.225843 787.8916334 718.8949783 1859.811696 1226.805733 1052.450279 682.9827948 2109.704568 1742.172562 3105.178584 2436.854099 1521.267848 1815.506014 1851.976612 3314.459648 3014.028888 2289.435622 2150.955761 2111.266568 3201.717854 1939.614574 844.2620714 1732.460519 1013.326497 1478.635528 2691.036035 1907.463783 3188.984115 1689.25755 1768.49919 2260.477302 2001.84278 3823.858618 5011.424671 1730.645101 965.0727101 1989.299988 1924.030223 3181.800139 1660.065419 2368.662235 4163.506869 2538.228984 Samin 3154.775076 3083.622145 6574.343264 11408.96281 12632.75984 5935.915093 15058.25385 3990.483372 2576.935128 1.395932778 198.0532551 107.5700202 0.728852996 76.55283798 58.24123233 4.07813e-08 4.07813e-08 2.597072219 1809.315164 10368.65887 1291.115826 3251.299621 21432.81744 24581.52096 11437.49965 2657.720065 11356.83136 778.2258074 271.051007 74.86768713 787.7674068 419.8480741 509.5242363 1049.770062 4.07813e-08 589.0478783 3829.743101 6657.649254 871.9760576 4440.469729 5612.724842 8712.111795 21145.70449 3784.78358 6876.914741 7228.380683 6870.756721 1630.486608 706.2051505 2199.708026 4.07813e-08 1490.496137 138.0610694 14613.6144 Succinylcarnitine 5454.325099 5017.795622 4064.605504 5483.469479 6614.844237 3203.382732 4792.211429 5379.076077 4664.988868 9599.236139 11559.84919 8073.794171 7551.79566 2924.833535 4053.326555 6110.708836 1586.762171 2905.465586 6317.171982 5519.209689 1946.598998 3983.494605 5531.986508 4922.422829 5029.148755 5444.549102 2491.283893 8657.598979 11507.22327 15761.25852 11456.60572 15368.394 13439.1758 30161.24588 5026.038379 10932.24649 13290.73469 3519.50613 4420.974375 2115.670732 2922.323742 13170.20601 3572.402124 6567.322722 6573.487487 4517.896588 5507.680513 4677.346904 5573.671176 7713.846233 17404.72503 4350.399695 17933.36936 4307.085212 N-Isopropyl-p-toluamide 1846.634677 1379.478776 1363.190255 1376.455082 1537.313008 1728.243895 1351.289741 1517.507194 1050.250196 677.2908331 676.2647435 575.7135089 788.3970571 434.137194 671.8140234 169.6382651 378.2443311 396.8704286 3599.049718 2715.955835 2586.073247 2450.062656 2997.114378 3057.84463 2467.052305 3236.35379 3086.015978 461.52515 573.7271338 780.9892694 722.1760244 1234.188716 1001.419785 677.7442281 391.1350571 381.6903496 1940.012634 1941.513326 1196.245806 3071.992506 2773.823343 2829.684069 2657.436122 3124.39348 4217.35626 2581.670286 1847.045425 2053.584494 1801.978308 1594.091265 1125.466859 2304.519144 945.1628381 2434.979557 desethyletomidate 2268.491519 1500.044352 1776.76923 1806.639978 2210.031365 1902.809525 1468.856248 2428.278282 1605.079455 2.250148026 0.776080364 4.07813e-08 0.85283521 4.07813e-08 4.07813e-08 5.122882244 0.586279662 4.07813e-08 2822.834223 2387.713119 3392.083839 3192.766883 3537.364857 1866.262049 2583.660091 3741.005737 3422.483279 1.14129914 1.687225481 7.968459209 4.07813e-08 4.07813e-08 0.563765538 4.07813e-08 2.895771213 1.762534061 1999.953509 1965.455988 2286.217416 3308.893456 3105.308868 3228.725586 2350.89219 4227.285849 3460.897046 1473.253069 1148.128222 1910.663625 2047.196529 1651.138281 4.07813e-08 2029.496061 1.031032301 1406.992762 2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol 4.07813e-08 167.9123726 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5162.551789 4485.219666 2657.498875 4452.601583 2669.414061 1694.860791 924.3034412 297.3439111 2595.929426 4.07813e-08 40.39220271 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3015.010488 3910.689248 8403.498871 1498.6117 3787.203598 6676.975651 2266.873962 971.61884 1879.038747 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13.69015191 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4611.371043 30.42194857 1213.366036 38.51469172 1-nitronaphthalene 310.0967695 1465.449289 4.07813e-08 89.86150376 68.00745749 74.51793367 1073.920873 640.3735528 492.827939 4.07813e-08 64.41120807 4.07813e-08 21.96728612 27.53096682 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.60169748 2334.09614 373.5846938 258.2222975 130.5634696 462.9143489 2408.737842 761.752268 1520.135991 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32.37954585 33.46532419 4.07813e-08 4.07813e-08 98.53457818 1756.094239 4.07813e-08 281.7137839 188.1425569 366.393757 465.1769938 753.6305382 1381.924807 2089.358472 2694.972865 662.597034 175.9511513 168.3968345 488.5578273 595.6282783 4.07813e-08 1242.694192 3-Amino-4-hydroxybenzoic acid 1505.584979 1709.24772 1439.308437 1332.642722 1501.726497 1172.307739 898.6086021 1055.556724 1419.763775 996.5512615 1089.72695 884.853523 922.104958 752.6281752 675.3717152 1202.939261 1047.448742 1114.610984 1217.412168 884.4606879 875.0714599 1042.92851 1022.567431 1030.518502 1160.203007 1426.871202 1181.242696 844.3511144 900.2040253 1069.85843 973.079254 674.6782214 1158.426128 994.5882576 872.4676894 1080.933576 1308.100036 1129.727281 1057.811758 936.3161981 1183.478511 1277.525237 1151.638397 1216.78626 1120.414325 1122.870015 1041.284341 1065.036858 1362.515357 1104.198126 922.5367316 1115.887011 1118.626492 1176.745933 AAPH 22727.19042 32042.32927 9227.364967 19712.26432 8991.630066 9806.165099 17994.48548 20956.58223 25648.74623 8098.544108 8231.647321 6384.954076 7931.99124 4631.269058 8243.744902 8893.918386 9481.186336 3910.375762 4165.277367 4426.237401 10143.54094 4120.397338 5997.988303 4934.163652 5602.793218 6467.483547 6044.357525 5608.216394 6830.490195 4288.267013 7519.838123 5353.758541 6170.673343 6197.481985 8038.597515 5894.362574 7482.225343 6547.871554 8985.216184 8250.381952 3385.410491 4622.992912 4765.910618 6201.760928 4126.127677 4483.663776 11353.61821 6210.261954 15410.80497 48510.30451 4724.560437 6828.978355 8872.676891 8876.564027 o-Hydroxylaminobenzoate 2783.82079 3215.892371 2779.300998 2958.999517 2651.87998 2113.145449 2123.903707 2812.939557 3222.94084 1737.113027 1696.97873 1682.625414 1890.046282 1486.485562 1447.73215 2156.312503 1866.998956 2016.768955 1918.209405 2102.793374 1968.439236 1805.878109 1694.028144 1790.688848 2393.18802 2508.40812 2222.947096 1471.43421 1867.10571 2150.30353 1657.748544 1511.31085 1852.322904 1700.224344 2092.995313 2185.607668 2208.647851 1914.20765 1983.329873 1480.360207 1762.007557 2258.648284 1916.0024 2241.326588 2336.294003 2160.002587 2030.49818 2080.442306 2127.029861 2110.901583 1372.987843 2323.014374 2006.079408 2243.465776 Bis(2,3-epoxycyclopentyl)ether 101784.3653 96071.9436 94928.6317 101500.7007 98043.1363 79124.50407 93535.34085 101665.1152 97943.70279 53034.82591 54914.45696 51832.39732 51290.15551 53892.28007 43084.48772 61320.289 48342.25484 57045.44125 71386.48427 79570.69966 69237.59248 64598.16815 79317.35655 95557.294 88103.49737 88604.49597 91545.41044 46570.94542 55370.68903 57782.53172 57181.20897 51774.10658 54009.44363 48855.60911 58390.78129 63229.76933 80850.45746 75179.9977 76914.52972 73464.33742 64694.42422 77114.56055 100949.1396 89523.43228 83218.91246 93678.61934 81798.37569 79932.02632 79500.20444 75252.68996 47255.56024 85619.30972 66712.09466 102528.5496 Naptalam 1880.693188 767.7574375 921.879755 1063.952984 789.1834463 434.3101241 3582.106956 2022.117137 1983.943812 526.7388208 717.6893627 507.7307014 516.7178415 455.0449205 396.594194 881.3832571 489.3007057 782.0450919 274.686992 12843.16682 258.4433444 524.663704 4233.049067 13623.23172 4538.835223 929.2276752 3095.771545 310.2463198 479.3737987 486.1370967 543.1133787 256.0900731 694.8039105 651.5446842 666.7802314 485.342377 1218.553381 4436.553604 407.2755993 726.7265671 888.7203787 1625.389242 13443.25809 753.8769242 2693.479127 5496.773671 3756.851943 676.3718073 365.4586596 339.4891389 657.0996071 679.1735172 690.5508293 11626.03327 3S-methyl-2-oxo-pentanoic acid 3865.490175 3234.592241 3658.431278 3136.666513 3484.10583 3145.726561 2891.940667 3861.60708 3919.005073 1775.929526 1571.57433 1614.693857 1611.498703 1744.1483 1451.290549 1692.925327 1095.400813 2195.488669 4925.111798 4691.638841 4214.794768 3954.029367 3970.318094 4618.754252 4617.270986 5138.194188 4742.920434 1451.090785 1980.947529 1502.205206 1535.471152 1759.202894 1651.068585 2160.454142 1917.718369 1913.611521 3891.398652 3756.886083 4378.047918 4394.721772 4033.035228 5013.159524 4505.398992 5002.119573 5862.670713 4241.599885 2974.025204 3121.261008 3260.782248 3376.388268 1799.444543 3503.318175 1863.753 4141.944696 D-Alanyl-D-alanine 1260.078236 2531.464425 879.7313873 634.3290847 547.6854495 636.4270917 739.2440149 1499.893072 1542.264104 2851.8157 2321.483396 2224.805656 2828.900593 1860.891009 1985.563805 1198.179406 1830.527549 3008.840962 352.96772 196.8768175 1757.292853 227.8212585 110.9002106 142.1852845 602.0845266 1875.701965 153.9728422 2141.683959 2404.445816 2302.493368 1889.026858 2447.800053 2341.537717 2835.68395 1476.950238 1941.431129 2992.679888 264.2266818 1655.453307 34.76031166 130.7736574 1450.195814 131.1455618 1554.376992 46.11671819 193.504552 219.335918 626.0362102 616.1905808 1905.146046 3181.838298 887.065014 2943.068371 232.1246743 Methyl pentanoate 893.102821 942.2946283 724.6993759 952.1890191 890.6859806 758.0610564 713.8471494 704.6231111 936.6840644 613.9842943 562.6382491 571.3987459 511.2279001 606.2816211 393.628212 716.4978763 566.8718132 669.2985354 604.1774515 527.6530544 529.1330294 594.0890675 362.8648915 560.070885 492.9285539 807.2814012 628.5300886 412.0026951 583.28486 632.7204959 581.5704569 471.5154481 560.9122345 467.1274906 731.5107235 643.71927 703.1697695 534.1065167 589.6061737 527.9727254 431.9107535 524.8165041 628.1132635 699.6173374 719.9048478 656.4877397 667.9090774 580.4348084 610.6198615 520.8949953 421.8517073 761.3056882 637.8293005 807.7682722 3-Ethylcatechol 27446.52626 24439.8342 23784.82635 23889.8247 25553.20205 20670.05531 24062.15818 25670.05616 26144.30984 13714.94027 13371.75303 13119.82449 13881.26986 14188.99091 11557.90419 16990.46986 13156.8859 15214.84589 17489.52884 22176.45593 16286.58513 17973.09575 21718.56044 24875.09819 24252.88892 22129.90673 22621.52419 13789.97758 15136.56251 16579.86752 15699.34922 14555.49278 15460.41099 13329.55694 15954.04418 16020.90196 20515.79972 19305.08105 17384.59813 16868.45692 17534.90166 20488.53313 25131.95957 21948.5999 22176.8341 24281.14499 23501.97961 19701.28676 20007.17819 18806.95131 12717.31314 19780.27638 16655.21809 27111.90441 1-methylhistidine 2545.434335 2234.024792 2430.716367 2534.686303 2606.557487 1910.328208 1878.105374 1667.439974 1943.266292 1135.334507 1547.27637 1235.835809 1114.853263 1526.575445 1105.677657 1597.396398 1154.835889 1547.730621 2198.261694 2117.175683 1644.877952 1991.049349 1548.100695 1917.589335 2314.62792 2543.29044 2087.335216 880.117944 1517.727801 1715.827512 1499.083542 1205.356867 1188.507299 1157.367194 1522.773999 1610.854204 1707.978678 1922.978373 1879.986824 1864.230656 1474.525205 1910.189546 1849.11542 2201.800899 2223.371433 1924.995103 1627.305521 2152.934884 1568.477597 1565.274769 1166.191467 2016.721301 1415.855763 2333.743296 AFMK 804.9045512 278.2056795 1747.897345 1731.651678 2066.92765 1405.736613 1627.23218 1483.509286 785.6536938 46.01589944 74.64017484 338.0871246 4.07813e-08 381.4062246 41.35347405 4.07813e-08 4.07813e-08 4.07813e-08 2510.480623 2556.539321 3159.613315 3132.478709 3105.421733 3057.327821 2887.399726 3050.200688 3258.24904 202.8495454 313.9746807 188.6304546 101.0684622 497.562163 460.9662593 1176.567325 4.07813e-08 4.07813e-08 1459.463269 2643.050898 1862.363556 2639.651352 2661.582823 2987.107643 2282.437044 2642.932125 2765.109024 1757.080515 1541.828881 1722.746537 1599.919528 1891.664643 400.733949 1580.966284 92.62237453 2343.267047 Furaneol 4-(6-malonylglucoside) 1479.343268 4887.719325 2227.791785 1023.156339 3365.755651 3148.317868 2358.6985 255.6859147 1168.704914 14470.65341 7058.238642 15959.44168 14015.64141 12351.42263 14081.87288 8647.388734 34797.184 16300.12959 1425.712676 1968.196418 3782.956291 2110.755635 2419.998871 1389.849633 2736.818827 1497.043153 570.4113929 11455.21259 13839.14499 22125.70569 15119.82712 25870.01287 10636.2536 19486.96345 17155.41419 22785.51341 2716.498235 2123.778086 7210.427403 3093.938404 925.3602277 3163.608744 620.3765994 666.4961405 2564.088758 4558.311449 2723.263749 1863.802143 1375.954222 804.3549751 26658.62316 983.7468901 20811.99726 1795.83269 3,7-Dimethyl-2E-octene-1,8-dioic acid 16087.50528 18100.72609 12278.80627 18834.09658 11171.55758 13921.64415 13853.13706 22798.89742 21341.78488 6168.039324 5248.600246 6386.828585 5329.954246 5561.080632 5407.699009 5376.554744 5413.702856 6167.114004 9736.704101 8836.178259 11347.52585 7159.118378 7813.60689 7408.460546 10986.74036 13357.55918 9641.649884 4047.532121 5822.592555 5882.935478 6381.202272 7246.111944 5860.952255 5803.635593 7433.16552 6757.080472 10036.84512 8508.2664 10537.00612 9429.718238 8354.110724 9028.528158 8646.543126 11595.53608 8618.379249 7515.178058 12318.55898 9190.673507 14522.96566 20062.28661 6341.761748 12150.43431 8621.31677 10574.01756 Arginyl-Glutamine 138.6360371 998.056376 4.07813e-08 3.973523269 4.187276379 4.07813e-08 589.5275762 4.07813e-08 4.07813e-08 2729.43386 3065.217231 2512.62913 2184.114671 2423.380642 2261.156806 1316.019536 1095.184315 1977.51223 11.62999163 4.339607804 141.3455636 3.270883059 19.3587279 157.5648145 207.5736554 2.88757566 6.62378783 2646.787072 2673.318505 2859.023317 2602.611834 3663.620383 3496.711849 4131.466131 1665.876214 1721.814734 1460.855898 4.07813e-08 9.127826342 4.07813e-08 2.549618421 170.9220166 4.07813e-08 51.58042569 8.14496893 4.07813e-08 3.558969973 6.129547505 343.1793246 8.57519079 3879.812462 82.64367307 2688.776567 207.4754348 D-Ornithine 826.8577895 790.6995052 826.7312165 694.2813101 573.6437604 658.8902306 550.1866338 886.162153 681.7633679 459.3524693 370.9239077 401.4814904 470.1686682 418.6859334 418.597855 612.553304 368.0941209 636.4910561 401.0522661 560.7987907 434.8035348 503.6923206 377.7932581 485.0725482 630.61159 597.1431041 401.245761 236.1530523 450.5006008 589.0135707 496.6173632 451.4478818 471.6374933 342.1092871 573.055579 555.35196 752.3855169 504.8671886 549.9103137 431.8369307 482.1495954 429.4954643 543.3648954 639.9154965 439.1091467 532.5189121 516.7079509 564.9609499 628.5440009 561.1218569 358.2091327 406.5601737 333.0118496 701.0817603 SULFAMETER 21415.82819 27099.58303 27952.56155 21241.99797 19927.32618 42446.53293 24489.51363 43004.60092 32616.9846 3112.620076 9744.433778 5244.160052 3826.450336 10381.2539 5167.847954 13705.02547 35912.59226 10317.20419 17390.17839 27452.0529 56650.72517 16988.60888 21086.11372 22736.27026 13389.73541 14457.93102 22132.49588 4125.597596 5781.56716 24694.05063 6119.692889 16300.46782 2691.15692 3466.775797 14802.71627 9702.470417 9447.934204 22739.93388 34544.27961 60170.82673 11520.61878 11171.6692 19048.75775 14589.25724 3260.669406 21477.14703 14104.11153 22188.9842 23791.4948 19689.19771 5590.87428 19714.28756 4996.683901 16796.76864 Lycoramine 752.6106859 351.285911 386.9036374 23.9178592 4.07813e-08 8.643180278 706.5497535 209.6933789 338.1699383 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31.20861471 4.07813e-08 4.07813e-08 4.07813e-08 111.2723754 3337.569566 4.07813e-08 704.2496791 3202.311555 4501.686742 2289.04628 1410.302993 2365.135585 4.07813e-08 4.07813e-08 86.59603392 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.536738116 617.8127084 2329.0358 4.07813e-08 715.8976935 909.064033 1838.565481 3746.5712 1294.252536 2514.10086 2947.158146 1868.941964 523.3151179 4.07813e-08 303.6804838 95.77442842 248.4256924 4.07813e-08 2478.922125 (2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium 932.0209736 1168.375231 1368.293653 2075.309387 1947.283071 1213.222207 1967.724549 1793.064813 832.8534243 3346.387971 8324.44465 2890.767848 2223.986919 2480.189104 3690.994205 4236.457692 22298.4925 86.55622832 2371.926234 5523.151989 1871.923435 1768.314749 4275.695113 5456.103939 4597.992116 2349.983991 3655.358835 4165.779412 57.44027906 8502.637279 1663.569399 7879.546816 3700.808157 1686.198224 3822.439939 5320.441767 2536.130513 3219.418769 1696.506667 2130.890453 1849.18373 2904.417927 5635.009238 2388.753867 3655.746127 3706.99167 3194.483563 1301.212438 1550.935257 818.8304551 8028.849424 1973.446066 13720.50972 5051.188456 PI(17:1(10Z)/0:0) 4.07813e-08 9673.962963 4.07813e-08 1084.964338 4.07813e-08 1199.806289 4.07813e-08 4.07813e-08 871.6488056 19483.53969 25465.78298 3000.476901 51602.3503 7637.616464 217.7612988 51.95914897 202.112674 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9179.388737 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14584.12272 48.52030159 373.822534 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6365.418014 2971.96546 13646.46285 64686.76966 3365.827787 2671.780243 157552.4191 26741.13812 Seryllysine 2737.553592 2031.334018 2046.691316 1625.162916 2092.944845 2441.237245 1967.185021 2085.456562 1595.32235 1397.180712 1136.240227 754.2098251 1435.462124 639.5023002 933.1670939 279.0660693 501.0868268 954.112419 3849.289824 4275.069963 4133.179002 3189.537623 4368.193715 3903.739718 3989.727188 5444.64024 5059.097787 1013.759875 999.8961642 738.4160243 967.8015479 1101.873107 934.5779985 1233.595165 363.1984512 755.2727485 2994.805712 3943.515373 3228.112053 3314.296228 3954.945358 3905.922719 3650.995842 4814.224944 6159.421209 4724.129443 2856.446357 2913.461514 2909.167176 3387.363181 1409.759388 3321.527433 1098.64483 2454.971848 Phosphoribosyl formamidocarboxamide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2971.994871 5025.74251 940.055185 2047.727601 1330.361031 3448.464234 4353.046913 4376.992657 1577.952617 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5598.657325 1054.961715 9145.08558 2522.79363 8877.758546 5926.397527 3039.574059 3684.387727 4024.866637 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8313.371135 4.07813e-08 9079.241935 4.07813e-08 O-7-Angelylheliotridine 9829.718286 7327.052496 8595.11602 8302.133823 9331.498304 9463.595633 10889.35435 11476.1047 11978.38823 543.9282052 429.6172745 1393.303696 357.3657209 383.8925574 1443.289665 388.4141315 703.8263024 466.1042442 19212.36602 18193.10522 12607.70028 16455.26964 18834.24525 19005.04645 16929.58891 23078.34594 21970.76613 675.526187 1642.342495 390.8174851 1004.919019 550.6476678 693.0553285 1143.903305 1956.287924 758.7874105 11882.27707 15596.98987 13607.11415 15751.88702 19374.73599 17697.13315 18766.83893 21421.28594 24942.7532 18599.23175 14447.50645 13695.73676 10391.1721 9351.364738 1243.808708 12161.8249 1955.421008 14772.0447 Uplandicine 4.07813e-08 829.6323914 4.07813e-08 4.07813e-08 4.07813e-08 0.244347912 1.392910737 4.07813e-08 0.779068469 30917.53195 27705.86067 26542.96846 33083.08475 13532.81696 14964.93002 16294.486 15767.8943 22795.71323 422.7583914 4.07813e-08 152.3991447 4.07813e-08 0.198180182 0.971724712 4.07813e-08 4.07813e-08 147.9206339 17864.38337 18249.7358 29159.3608 11812.58213 26581.42614 13104.01326 16880.06834 7897.282966 21592.43006 166.8816223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.621615906 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 199.4687607 4.07813e-08 322.3231319 1714.024927 24440.00178 4.07813e-08 28674.86023 4.07813e-08 7,8-Dihydroxycoumarin 3203.029036 1666.587044 2680.32874 2100.502873 1923.790237 2521.587612 2636.281278 1892.705764 1841.453489 494.25445560000003 535.6507166 305.8842384 567.186365 291.919259 377.8642971 250.2520141 190.6769121 814.5074196 3877.324626 3987.242193 3944.605081 4053.47845 4848.291708 3637.809029 3727.291644 5606.307412 3903.748838 462.2104909 505.0655673 231.5216251 430.6350799 585.6432943 618.5873836 603.3680355 210.1286993 580.4855765 2813.257052 3969.204202 3348.241991 3440.154821 3493.229682 3887.939443 3805.599805 5508.42059 5493.297094 3781.258986 2808.406585 2836.031761 2377.871807 2482.478226 685.4686018 2852.015279 425.8891277 3944.496163 Humilixanthin 3140.835758 5574.386727 1153.704411 1352.674429 168.7750269 302.1132692 1894.716424 2752.65051 1063.047007 15025.81742 13893.86123 7144.876957 10816.497 9590.789729 8208.946277 7625.746389 16160.37751 8972.990269 320.0428678 0.066304575 798.6859925 32.93965019 4.07813e-08 4.07813e-08 776.9985122 2024.253632 25.17020824 7355.313557 10768.46063 12937.97598 7252.310116 13709.64995 11589.21038 11329.95403 5796.267552 10612.67027 6057.121871 4.07813e-08 1300.823949 4.07813e-08 250.8633004 207.2339474 295.5247733 2024.138438 3299.01422 297.3787852 575.9374009 422.5296258 2177.796384 2761.191781 14087.2313 1895.884911 12164.32067 951.0208472 Sisomicin 329.571849 548.9372282 4.07813e-08 514.3823664 4.07813e-08 4.07813e-08 414.2134912 2568.450544 1854.797464 1856.843013 4.07813e-08 1902.375069 203.7300408 4.07813e-08 13635.38228 3103.519516 21968.8206 170.1141807 4.07813e-08 4.07813e-08 397.6624352 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2170.170896 1367.485753 4.07813e-08 2001.32357 211.1060061 4.07813e-08 1302.089387 18958.5343 1169.458425 4.07813e-08 4.07813e-08 5.324196936 4.07813e-08 4.07813e-08 48.64027305 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.280976049 4.07813e-08 4.07813e-08 1629.757178 4.07813e-08 3.200737677 4.07813e-08 4.07813e-08 6-({2-[(acetyloxy)methyl]-3,5,6-trihydroxyoxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 1343.055983 945.6487062 1562.93893 2044.192693 3068.584099 2205.756205 1048.68809 364.768015 314.7385705 308.8879268 758.5295185 2083.841609 330.0199059 4397.296764 946.3282855 1930.305747 1021.86598 476.6033328 918.3851345 4.07813e-08 165.4293483 402.9683261 1202.193204 4.07813e-08 274.9235361 1265.709736 1531.494446 773.6094015 422.5932186 5302.161006 569.9587521 1450.266045 2984.548477 4.07813e-08 1731.933508 1801.591189 41.62671438 4.07813e-08 417.0908851 661.9140494 1069.049025 991.1344744 452.3733026 606.0928791 4.07813e-08 522.2085761 4.07813e-08 842.9811035 691.8705375 248.2951788 4.07813e-08 559.5256592 305.3480484 628.4699792 (1S,3R,4R)-8,10-Dihydroxyfenchone 10-O-b-D-glucoside 535.2199249 1065.620356 1345.761375 815.7044165 289.6941319 448.6923043 483.6459811 1036.619095 209.5598038 1063.691924 1175.064917 942.2451037 2076.506708 187.1438807 1991.421693 1331.262127 2407.902125 1473.252974 3149.267768 2631.054428 2374.272783 1221.128622 2749.24138 2092.095204 2258.104695 3444.244573 3298.76954 2111.197693 1828.923034 1956.622414 1475.956278 1964.413975 2666.476976 2391.084712 1024.599936 579.7153292 448.596813 1855.240778 2224.342513 2053.651694 2880.974294 3973.5375 2858.413664 2723.168275 2632.264582 1841.333861 808.8535309 2558.408332 879.6841145 2130.830821 1917.671894 1323.329998 1560.614913 1122.564306 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, mono(2-hydroxyethyl) ester 1803.304544 4327.791346 4.07813e-08 294.8286169 4.07813e-08 4.07813e-08 1228.998248 1384.051816 297.3233934 11211.1909 8762.733884 6419.144457 11759.58449 8044.396803 9083.732281 7176.890441 14702.41056 9547.44706 258.5972027 384.5765632 215.1288642 199.9087557 620.1555458 4.07813e-08 4.07813e-08 843.2451648 4.07813e-08 9780.619651 8983.221157 10003.55526 8837.736014 10171.16436 11599.04567 10744.95474 8283.743735 9573.479657 4426.849964 437.828223 4.07813e-08 220.36331 200.3772205 4.07813e-08 4.07813e-08 364.0926596 3669.209831 4.07813e-08 4.07813e-08 182.5947241 1737.941149 1618.453153 11426.31764 1390.262742 8938.2155 847.3774327 1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid 14105.58307 18267.38773 6980.991826 14383.21751 7317.043632 7376.288638 14074.67534 21404.58807 20530.55511 1683.983565 2317.796878 1588.95222 1528.511792 1087.170359 2761.155585 1922.470452 4296.694239 2203.933721 3028.650486 3211.796494 7729.517823 5143.17045 4115.741324 2468.105517 4682.232041 5831.068137 2915.253212 2729.320088 1811.373774 1338.010882 2050.301998 1718.082025 1792.888009 2151.144364 4592.063185 1289.931738 8479.373305 5455.757587 7592.473822 4672.931256 4042.403529 3669.296827 1814.085617 4652.429833 5017.530405 2436.731173 4728.844552 4512.844957 11225.86942 18108.15667 1280.175616 4478.644475 1817.467684 2698.106034 DHAP(8:0) 264.4791682 472.1085596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4092.403399 3458.019695 2249.86683 3832.148701 2074.618755 1648.522037 2078.934433 1493.392691 1948.429872 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1679.992586 2175.708956 3123.302397 1769.983582 3342.913177 3162.719484 2686.487249 1538.733066 2478.117384 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68.45078479 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2730.23746 4.07813e-08 2076.813308 4.07813e-08 Oxitropium 7271.187742 8236.519913 5574.074694 3315.335804 4025.889852 6872.232281 8956.804726 10258.13777 15293.12122 2590.110874 4.07813e-08 405.5660659 1984.157051 1221.873068 2655.707274 677.376556 1818.063733 1698.584075 3928.70664 2363.540319 1372.00259 4.07813e-08 4.07813e-08 3341.878341 775.6890167 4.07813e-08 1359.314385 3093.926221 3216.210016 2138.847831 2751.342112 2024.300878 3151.08182 2937.742198 2940.19389 2564.592479 380.9324695 3392.655996 2193.166875 2326.959091 458.5712539 4.07813e-08 2032.60385 275.0964387 4.07813e-08 10498.15577 9208.672506 7218.899187 3973.692177 2375.804097 2863.606143 6084.487477 1720.465346 6102.61125 Ro 18-5364 1402.629458 2184.836106 1117.013766 3568.073186 1220.498863 2802.777035 742.5482512 1073.603197 456.1875106 11983.74687 7758.539797 3969.397007 13880.77629 10822.16708 3198.020833 1757.116572 1858.834341 5097.952048 1823.363347 1963.0397 1582.463781 1310.766729 655.2572417 1274.985501 626.7762172 1176.164418 1765.222805 8207.138465 4291.26876 3468.300592 3961.625877 6959.94233 5668.820522 5877.294267 757.9364056 1820.527356 788.6934892 359.2187688 570.135349 1596.683584 10.176477 1610.228884 805.7471319 2298.986026 1353.33817 744.088864 18597.11184 2858.583489 755.8496334 5953.019755 4543.302811 1996.031027 17561.56264 4496.986039 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone 853.4761139 14065.00519 948.0480684 618.2088721 1041.979349 481.3916505 3829.911979 5290.364331 2184.554479 23332.6801 7052.116014 10717.42008 20191.50255 12286.40126 22795.96085 9108.079127 15633.31514 12852.00849 4.07813e-08 340.1347638 249.7183972 101.2193325 4.07813e-08 123.6392006 799.7500897 8.112564456 681.4800052 30876.45739 26205.48862 15142.97588 26119.15653 22848.44125 27965.52518 29910.39595 24698.19817 19089.47502 3418.104248 586.4529092 367.588655 993.9681253 189.1271213 0.771963045 4.07813e-08 145.7775215 390.3858054 4.07813e-08 119.1094868 383.534099 3930.451637 6731.555514 27950.46721 1073.884143 15047.94225 4069.130089 2-Amino-5-nitrobenzophenone 2747.182285 2587.613784 2126.358217 1974.89343 1692.033063 2555.828507 2319.097683 3669.992065 3341.855725 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.034766841 4.07813e-08 2739.701994 3985.729638 3191.658166 2491.8776 3777.926535 3984.535202 4030.974952 4852.630223 4461.225897 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.58350971 4.07813e-08 2297.086577 3460.610578 2996.584516 3710.567044 3080.947305 3834.905228 2905.84388 3286.387328 6025.968265 3111.115523 2780.090053 2301.911155 2384.83399 2465.82739 4.07813e-08 2458.538692 4.07813e-08 2665.742767 Mono-methyl-adipate 3133.671372 2799.5406 3310.20676 3174.005248 3169.897112 2996.788801 2894.044107 2215.872747 2981.85784 1546.928822 1198.172715 1217.453044 899.9341087 1715.602544 768.0542662 1864.942992 1529.843441 1873.657177 2673.004095 2811.074557 1821.554241 2601.129338 3259.116758 3001.550746 2576.174895 2263.989161 2846.190861 916.3047861 1310.435136 1888.417538 1638.981402 1208.347819 1763.253805 1348.455313 2244.542573 1604.14914 2619.281933 2315.556379 1735.767689 2274.0348 3092.632086 3409.816758 3516.019844 2432.073443 2494.522871 3273.963874 2144.746587 2292.591651 2702.710638 2115.127935 1100.097733 2369.473953 1371.041639 3085.565543 Capillanol 1824.041196 1239.564617 1513.254464 1475.416388 1481.626084 1836.210522 2068.001785 891.300592 788.7068838 759.4905998 537.8120291 310.8241174 480.3478226 403.3802371 320.8782006 99.11160992 408.611527 313.3172628 2761.053031 2945.422515 2118.573454 3000.660366 3233.297 3186.060033 2651.948792 2793.880006 2848.537652 489.9789711 623.4772186 698.5217961 438.6984988 672.2855204 704.9464673 548.7869671 497.5352302 332.1617084 1783.863881 2774.314893 2103.774941 2895.284305 3197.198942 2502.770246 2806.11802 2780.10101 4795.426335 2566.740251 1549.507526 2021.777013 1670.932734 1274.077029 878.1631285 1611.406039 441.0015064 1824.85085 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-7-(sulfooxy)-, endo- glucuronide 6927.601159 16308.71539 4913.320794 3414.967368 1426.941208 4378.704878 7611.011726 10224.82848 8161.503779 9907.575689 14789.18347 7157.471862 11961.57757 4412.351308 18725.75981 29165.20883 10082.90109 7695.136678 1411.798132 1662.750228 3818.443073 954.8587834 956.049982 402.957784 1162.638348 2961.843506 4.07813e-08 9563.40477 9597.595981 5467.992575 15000.3028 6365.792196 10207.3363 22076.15605 21926.03354 16497.72152 5669.326043 2567.672803 4804.363405 3398.508898 615.9257576 2613.170761 243.3816395 3231.321834 4.07813e-08 255.1052355 2301.44051 2938.466351 9348.458135 41502.16262 4334.515353 1847.299196 13336.33678 1198.252079 Fukiic acid 12930.08438 6326.395157 9903.130116 6916.411771 15202.94184 19686.07904 9651.146168 4998.175282 7073.502623 4.07813e-08 73.85299993 212.7397262 4.07813e-08 64.16290819 4.07813e-08 339.4458335 181.5385777 4.07813e-08 24744.76298 17882.0491 23165.0817 44390.12196 39876.13624 44186.85273 17754.80092 12845.40189 15986.68779 4.07813e-08 4.07813e-08 266.0798425 72.61903995 4.07813e-08 124.5321395 4.07813e-08 4.07813e-08 85.10804578 26160.29246 11865.68472 29617.41364 19404.75331 46139.11433 37065.94312 41824.88754 11819.89161 10917.656 31988.5187 27916.86311 22883.46985 24305.68056 31323.18145 10839.8203 24342.20796 5795.621146 12305.93653 PMEG 4.07813e-08 1678.932403 353.6193961 4.07813e-08 124.2855406 4.07813e-08 485.5627381 438.4687213 4.07813e-08 9907.377048 5524.755827 4093.761023 8385.143111 4067.045693 6247.693821 3535.125398 5134.92608 8412.777438 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 126.6751729 4.07813e-08 9441.546122 8980.318614 6184.612394 7108.91381 11429.68675 9185.433137 12890.31504 4201.82697 5108.601544 251.8967356 4.07813e-08 107.6643073 4.07813e-08 125.1473662 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 245.956503 711.742096 11596.75304 161.5996838 7673.493897 156.6543382 Tryptophyl-Glycine 8457.680842 7206.315964 8066.169696 8933.14947 10538.88651 7132.206818 7121.908193 7188.85825 6236.227258 1791.590369 1164.66939 617.5292271 1205.920027 893.7281611 862.2941372 2.209422014 1040.762213 774.6743115 10811.37464 10959.83603 8776.327569 9973.739161 12603.40309 13855.19472 9123.017438 12187.58703 12519.41088 541.319174 811.4257043 1143.919865 635.7361493 947.73099 836.8523448 511.6422164 510.6200263 483.5282567 7274.780281 10534.0666 7750.860731 9830.752774 10223.16415 10929.34526 12804.63346 11780.45422 17998.90631 10650.5372 7478.304163 6517.899512 4935.430058 7258.538325 1444.963602 6983.259209 2711.004345 9856.033381 O-Demethylfonsecin 4.07813e-08 4.07813e-08 4.07813e-08 87.1103226 97.90986198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1586.392152 1160.739877 919.4058063 1218.536012 806.2103034 990.7952756 631.702386 471.9730687 316.9234598 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.5768675 4.07813e-08 1117.559999 1937.220845 943.7807705 1439.944959 2264.362452 1046.225235 2505.099035 886.485781 811.6968739 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.92693351 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2304.651822 4.07813e-08 1799.571797 4.07813e-08 1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose 347.6811326 2760.388401 839.0436981 207.7196705 489.8811107 521.8871644 1862.706148 568.7427707 669.9088846 9972.269668 6238.903 5507.708034 8419.835556 3966.887852 4977.17366 2599.430086 3146.719372 6680.639403 1054.315713 527.6648682 783.0535097 410.1148266 1267.000444 2142.530234 1005.094372 1257.524819 1425.420634 6494.984732 7254.411312 5419.238165 5726.037783 9114.393964 7182.789165 8916.767401 4011.028332 4116.321867 227.1243087 664.9220304 364.9435623 591.2050973 1441.705028 993.2899113 1009.033524 785.9284984 1979.661697 618.1949879 346.3009959 213.6747118 627.5196444 1075.44316 8207.860452 1148.005646 7490.721469 1875.723626 Capecitabine 1716.337815 2681.40185 1046.547971 689.3069295 1641.920239 176.2718788 849.3172109 2068.271142 634.1192915 4139.96644 4692.566834 2321.996164 4655.824855 3461.958217 4082.686073 2632.38942 7552.762343 3991.956383 1785.410677 1423.88033 1082.972835 1241.552036 839.6299459 1011.165879 1959.660959 3415.872714 1314.987139 3676.804781 4660.108416 6086.850938 4284.158442 8330.300379 4799.986293 3456.30197 2019.313524 5505.509811 6592.903965 1096.892219 2279.164369 1308.048873 2114.832023 1807.949973 1480.890228 2556.926825 2286.199922 891.5848836 1357.830339 1185.445423 932.0058555 2223.449485 6987.634248 266.292285 5059.885907 2305.707136 1-epi-Fortimicin B 1871.637351 1691.347803 551.5906653 891.6019607 1981.5212 1904.86511 1703.945282 2406.280644 976.3070239 15668.45238 15311.03883 11622.52209 14726.51876 10260.59013 9502.08533 6825.766542 5925.175961 8703.062079 3652.22542 2769.732815 2971.174057 1619.509799 1882.004965 1521.667998 2745.125736 2878.327678 1439.314029 10750.9421 11469.39069 10535.11941 8464.844036 14714.53091 12630.30375 14350.53999 5509.345115 7303.423708 1843.103496 2006.977352 1417.369294 2512.130666 2249.532064 4263.221953 1459.87973 1987.67948 4608.155047 1190.532041 1321.822526 1929.065437 1176.231837 1791.247161 26525.41317 2253.022498 34203.25264 3532.982637 Meperidine (pethidine) 5382.631603 2598.764867 4903.737511 5097.544794 5347.160822 5284.474531 5897.409572 4509.292077 3292.109566 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7087.770522 12336.06873 3519.698865 6854.217343 12033.71889 14063.24648 11363.82912 12686.21663 13562.9773 80.37196328 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5211.465554 5721.93563 2340.148925 7556.924851 7672.379724 9506.958055 15533.39451 12908.61841 13440.55993 13976.37325 8720.575462 5138.148104 2784.007333 2672.265442 100.3205398 3876.187503 4.07813e-08 10952.24586 (6E,8E)-4,6,8-Megastigmatriene 5475.58833 417.4500531 3707.630568 1700.710974 2658.526316 6076.694825 7575.827173 2951.07355 1962.394573 4.07813e-08 4.07813e-08 4.07813e-08 119.2857619 104.4513986 4.07813e-08 103.9751116 47.41263254 59.05432915 4.07813e-08 192.5902876 682.6991659 1046.633891 241.7649495 209.7111794 286.9589233 263.8650191 4.07813e-08 4.07813e-08 41.80537634 195.5228199 55.61620072 127.8122237 4.07813e-08 4.07813e-08 33.80363557 39.83766083 4130.347461 974.7144185 1695.808801 957.3120342 701.0012957 307.9220371 560.6887431 290.5863487 114.5057368 354.6009079 680.8766183 3060.402384 1718.844861 1865.016482 6587.426118 2094.069679 15448.23381 6023.819322 Tropacocaine 10161.00283 4928.38135 7636.738438 5225.770368 7597.770249 7584.135361 7569.108431 8656.834036 8076.504696 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 83.57898468 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11796.99167 11950.06182 6431.115215 8895.078529 12023.55274 11984.57628 9317.986059 13317.59722 11517.69597 4.07813e-08 4.07813e-08 4.07813e-08 63.48490418 110.5358729 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6353.06672 8403.128572 5353.194796 10205.76782 10176.82204 10495.25191 11353.32608 12143.61318 17934.74751 9783.96749 5715.347177 7071.867157 4790.814045 3656.710708 270.5667106 6905.499623 4.07813e-08 8607.948999 2-Phthalimidoglutaric acid 2.055659187 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 102.2960331 4.07813e-08 4.07813e-08 2599.697252 2104.030676 1225.058634 2676.720403 1047.552595 1776.551735 868.6651321 1848.532451 2536.824453 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.413576578 4.07813e-08 2489.559949 3064.85743 1630.263584 1666.741542 4214.487922 2378.91651 4397.164086 755.3773466 1174.669239 3.992677702 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10.1708111 4.07813e-08 4201.299933 4.07813e-08 3081.98525 4.07813e-08 4-Methylumbelliferone 172.8201325 173.2287058 471.234469 776.9282272 850.2317591 399.8655118 713.0166032 214.2363899 85.10303338 1624.703012 3020.652694 2248.33742 2052.898825 2048.40216 973.7109669 3183.128569 4594.96635 1690.821908 153.2788138 394.3212153 2247.520753 201.3953178 614.725498 842.8167768 554.3044568 728.1124181 271.5195953 1470.888777 1696.505374 4930.40191 4247.944881 2391.770937 1410.588498 5301.135119 5452.717448 6099.554442 509.5548052 184.1672939 336.6922846 216.8930133 4.07813e-08 348.7673872 1091.965731 239.4628714 390.3770031 741.5331435 822.8842941 366.2091906 370.3326856 359.3258303 4569.999061 456.8057419 3166.24754 990.184755 Deacetylisovaltrate 19034.55468 20821.00537 17340.42001 19927.73197 20575.77421 18975.84671 14266.05819 15745.76679 13542.23858 6093.745332 8420.597121 12970.39112 8590.73155 11755.27702 6660.035219 7196.553783 3921.319481 4836.067749 35629.2622 26891.61753 29801.49208 27099.10654 26376.23763 26976.90819 23008.19829 33659.00388 25020.67858 7222.445768 7312.54264 12614.96297 5963.425215 8582.662833 9686.181206 7216.944309 7988.282748 11816.77181 21970.67976 26846.36273 30031.43486 25894.15773 26424.25353 32072.36417 19495.27664 33853.30601 52313.56691 20963.38074 14293.01222 20324.28387 17874.6291 14979.44603 9817.574405 17401.65491 7519.545708 19679.74054 Homovanillin 3844.400894 2778.473057 3964.99165 2894.083106 3421.855792 2822.277111 3277.086915 3274.679552 3350.385109 776.6404441 1350.556029 964.2498042 1236.660982 953.8723753 1323.217156 1151.495343 441.4331117 857.9372686 4367.045526 4165.633426 3188.866115 3666.395328 4220.280616 4388.913215 4342.718031 4647.19967 4897.741983 368.4516554 968.5573336 1081.843897 677.8082129 1356.834847 559.5372846 789.0679738 360.8846441 405.886355 3338.939791 3674.878525 3091.693888 3547.776498 4056.278504 4107.843908 4677.105356 4292.180231 5375.850063 4329.315306 3136.367424 3651.951573 3092.62803 2355.335565 834.7558407 2774.621708 935.8589861 3987.968488 Dibutyl malate 1311.551846 2765.643277 1793.457383 1409.589793 1782.027397 650.5547351 801.7853501 392.8937936 589.6899585 674.0591687 646.0892845 4.07813e-08 662.8950401 78.7705736 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1836.560237 3156.085775 3244.910581 1996.289007 2414.648387 1639.897831 1624.287582 2295.68476 2461.860247 139.6276174 4.07813e-08 117.9270528 4.07813e-08 158.6523847 62.2216177 539.8780577 73.32763299 788.2162029 1573.203265 1930.89677 2328.982683 1732.520185 2218.042564 2254.684505 2002.806953 1949.28064 3133.174745 3199.496499 1805.026573 1514.718935 1341.377109 3612.039965 203.5869807 1795.175312 227.9229008 774.523653 di-Hydroxymelatonin 1543.932448 799.2923644 998.3508653 321.6387034 1447.098311 1349.873954 1458.123466 1755.620412 1843.863464 3865.676457 5107.269506 6268.68601 3747.481587 5046.020121 2939.136993 4545.58247 3828.607505 3153.633473 2205.760917 1252.176815 1448.657396 1547.694857 2747.592552 2373.268151 2555.739953 1918.316662 2840.84133 4244.442667 4348.618975 7049.970816 4130.988826 5704.189804 5432.452095 4809.748715 4212.968055 5214.939259 2133.128442 1888.885691 1335.394135 1647.557504 2170.670428 3058.901011 2067.901122 2057.393153 2019.1495 1703.601218 1633.864598 1221.311543 1108.244905 1582.59041 5339.270653 2004.768155 5185.296958 1573.071083 Phenylacetonitrile 20659.79931 17920.80298 18951.94335 17650.85283 19026.07002 17165.90778 18655.27251 18583.38235 18201.21934 9611.642272 9426.69302 8539.386905 8942.354047 8988.876861 8421.0511 10140.84391 9535.543743 9973.75259 19975.59918 18389.20388 17856.18638 18759.07165 19039.65626 17894.82719 19898.37222 22246.32251 19428.99463 8518.878458 9764.542064 10668.61796 9494.530009 10761.10974 9562.373035 8863.482087 10201.92757 10512.4366 18335.94293 16507.89105 16905.53217 16156.34191 18685.20572 20449.89237 17594.75742 21147.50422 23185.23356 17611.23443 14603.12275 16645.97163 17430.57813 16273.38407 9808.62832 15757.82192 12557.30207 19212.04697 2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1939.991204 8982.388508 1485.591617 1359.204304 7837.395869 895.2040824 3922.444333 1278.430509 4534.70403 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154.0749671 1670.345524 6783.098848 101.5096884 3530.800303 1030.26044 450.1323417 280.0555014 1710.321695 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 903.435656 4.07813e-08 1613.662556 4.07813e-08 5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside 4.07813e-08 301.5800299 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59242.24393 57920.9232 40830.8397 54212.104 39245.0786 28517.96378 26409.20689 38936.18187 36265.78437 4.07813e-08 4.07813e-08 4.07813e-08 1292.59614 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14181.76086 29070.55107 48441.14001 19620.7178 34776.80936 31455.45426 28929.76603 32917.94016 30084.3464 1779.342056 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37409.08198 4.07813e-08 23699.73817 4.07813e-08 Diethyl adipate 5616.772365 2716.781286 3214.830044 3223.913779 4453.430538 4081.178579 1961.035744 562.2773876 2054.809667 4.07813e-08 4.07813e-08 111.4063934 61.86681053 116.9617894 4.07813e-08 181.5855856 91.69181919 105.1491284 6203.039425 3710.368499 3684.223968 3238.370288 2359.630035 3857.722996 2210.85575 870.8873386 1605.594559 4.07813e-08 112.1068051 157.2793296 187.3932766 4.07813e-08 98.17117761 325.0529774 135.4422669 244.414347 2941.931884 2267.642695 2616.242097 2195.843288 2815.535217 2846.667625 4527.448236 1303.00499 1407.429768 6698.190627 3280.760172 4113.411768 1824.048807 2918.758675 120.4265265 4361.947533 103.0255462 1594.993467 N-Ac-Tyr-Val-Ala-Asp-CHO 4.07813e-08 92.22873812 12.99613164 4.07813e-08 4.07813e-08 4.07813e-08 226.0378764 4.07813e-08 12.02900885 215.9439162 772.2101411 987.9263459 399.9426547 176.5828513 5695.271572 6366.581539 4.07813e-08 3037.606799 210.9497678 244.8641713 4.07813e-08 4.07813e-08 229.1770251 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9902.88029 10789.41829 6639.987743 45356.50548 5890.221075 4926.505451 13761.6353 8738.341804 9430.751844 229.5643673 297.5760882 4.07813e-08 4.07813e-08 207.2266205 255.9958968 185.4084856 4.07813e-08 4.07813e-08 13.98618047 4.07813e-08 4.07813e-08 296.3969181 321.4876401 2949.955091 165.5475034 13586.5735 258.173689 3'-Azido-3'-deoxy-5'- O-beta-D-glucopyranuronosylthymidine 4.07813e-08 4483.328369 4.07813e-08 204.6760125 4.07813e-08 258.2505958 1939.923365 4.07813e-08 2205.767158 9892.299376 22138.77118 13180.26621 12124.51898 11283.09516 19631.3591 13782.08712 93041.2439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9241.631898 20810.61341 18604.15234 17842.66637 44084.77911 25314.87799 28780.54413 21059.45717 221.1983469 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1204.720619 471.5930348 75451.5952 4.07813e-08 14530.81141 4.07813e-08 (3-Methylphenyl)methyl acetate 4676.226252 4406.637988 4296.624843 4781.02998 6012.74001 4610.393552 4301.692204 4548.954588 5509.256438 1866.319815 1754.33273 1569.998986 1818.714996 1664.94022 1487.235675 2098.724843 1578.086663 2266.969719 6060.825579 6304.001463 4568.518181 5498.70899 6100.159313 6562.71991 5688.409411 5209.384193 6798.230037 1623.992118 1820.090113 2095.550589 1771.703766 1947.95003 1862.16097 2033.312889 1888.866839 2224.364812 4052.626018 4769.4999 4661.462766 5048.552692 5397.502409 6102.709499 6643.617353 5126.79435 7110.808863 5530.430289 4892.840125 5489.768998 4044.889997 4326.338897 2688.116103 5248.246234 2705.230206 5572.122474 Propanoic acid, 2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]- 114.8377871 6364.037215 1701.207156 1394.141243 1353.475628 975.5904518 2378.209302 1016.874831 911.6806539 8355.914723 5930.491363 4932.324018 7732.129808 3788.683843 4556.091119 3564.615643 4789.41287 9185.160104 1109.571208 2775.896604 746.1531483 1774.899647 1990.160557 1618.599744 2481.894293 705.3597063 2557.000847 5648.765477 6607.72769 6913.078545 5061.654398 5568.23574 6083.919244 5860.116694 4221.678981 4411.975466 1413.957629 1234.023739 391.4449005 1299.100424 3196.789018 2537.026837 1430.757433 572.19883 1533.430263 1335.757005 818.9470622 1262.006669 1833.362101 3414.6935 4590.191879 2881.908687 4724.48765 2428.167816 6-Methoxy-4a-methyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone 5180.796989 2686.004206 5476.428402 5376.653049 6578.960981 6397.285783 5500.85615 4471.778859 3703.564755 59.96651036 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 75.94774377 4.07813e-08 4.07813e-08 4.07813e-08 12743.9006 11161.3771 8236.024395 10655.06941 11790.33599 10440.3021 9454.950592 13932.3512 13296.91779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8403.987107 10453.63853 6863.112286 9081.001881 12204.64881 9898.766826 10917.92063 14266.73243 17093.38778 7765.781734 6582.216189 7665.808901 5780.929135 3966.962252 4.07813e-08 7167.12378 4.07813e-08 7985.420541 2-Heptyl-3-hydroxy-quinolone 7564.147535 4804.868427 5705.638776 4694.299176 4561.585506 5909.521224 5255.696287 6032.633888 5515.712202 4.07813e-08 133.4131997 145.0398878 4.07813e-08 61.67773461 172.8775348 0.227973192 163.6765714 4.07813e-08 8560.459653 8366.501509 3705.281465 8072.684046 8193.590087 7603.988081 7366.093198 9064.309386 7961.722365 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 198.0484233 65.85788199 229.6286746 66.63280474 77.47628353 4664.776195 5442.449719 4611.546656 7258.185237 9619.948241 7465.730189 8213.261179 8532.948828 10185.70771 5469.463999 4343.705989 5156.404887 3276.150676 2186.700978 420.684842 4433.321783 216.2921761 5487.781208 3-(2-Furanylmethyl)-1H-pyrrole 1141.959576 1460.342503 806.1301204 1061.437421 1100.924704 1743.162072 1000.35322 1241.453734 971.8109144 1109.256084 1847.528149 2529.862262 1280.337151 1631.71404 1703.451726 1942.771977 4622.909 1757.966384 710.3720036 777.9200503 714.4139999 890.2653665 720.5123729 778.0242399 819.3674395 2755.098989 737.5868982 1507.158705 2077.797141 2424.603933 1898.169688 3231.999511 2440.074686 702.4642858 3067.014067 2557.524117 1377.290343 672.332774 744.008412 724.4936454 555.1126031 549.8623612 515.0690779 1999.513341 554.5174676 539.48904 598.0837086 652.6616472 928.6113125 1073.914329 2220.521943 814.4029135 1894.381987 702.9740668 FENAMISAL 919.655568 910.3558989 502.6438919 1038.270845 841.6239457 708.8918275 812.4068935 937.3539899 1110.524511 955.7691766 1156.608219 1441.602533 1134.807234 908.0728534 1262.892204 1613.773113 2427.288335 3766.38738 868.834219 1024.501924 1329.378221 1310.604193 1220.693578 920.2052154 1116.491469 3236.243206 727.4703322 3879.215548 2211.554131 1243.99141 2791.126896 2150.12507 1240.128797 1888.242821 3275.453966 1681.244724 4073.029754 648.4425886 1001.825224 572.9929391 657.0112249 1450.172773 1184.459726 3361.853304 1353.338986 1187.093001 968.0695301 1234.422157 820.4552046 2655.223755 2347.984194 1302.378175 1942.512512 684.8014245 Euparotin acetate 4.07813e-08 573.7319436 4.07813e-08 306.5944132 4.07813e-08 150.4981877 4.07813e-08 4.07813e-08 1087.404934 4465.117495 11730.7428 9787.69601 4574.750442 8086.80451 3071.252714 11670.46953 10214.82307 4685.419348 1589.3262 1033.327696 978.1172131 95.68117853 2315.086795 1339.984893 1523.309287 1094.743914 1046.8322 7272.516931 2533.152726 19823.22798 1994.667735 10549.28199 12991.52516 3252.850124 8336.12985 2244.735541 445.0257019 735.263581 950.9397259 965.4121066 1271.356985 507.5182008 376.985648 519.1298152 1292.49664 185.2245899 312.7980468 144.5306449 215.0029854 427.2137114 5827.5234 955.6063572 6478.706486 789.4489531 1-pentadecanoyl-glycero-3-phosphate 4.07813e-08 4.07813e-08 53.02314029 214.8100074 383.4586006 529.7732597 340.2604843 970.6672359 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17.00774748 175.9090575 4.07813e-08 4.07813e-08 31.4103987 2844.324298 2969.135637 1497.995089 1640.695806 2251.548077 3136.852925 3064.704882 3042.555743 3214.68179 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 436.1864096 4.07813e-08 4.07813e-08 4.07813e-08 80.24279238 1450.908998 2617.786129 1169.543764 2278.236476 1878.356211 2086.595714 2171.436882 2602.861919 4657.113109 1926.528671 2327.812244 852.1392973 801.6747688 1494.997714 4.07813e-08 918.9537113 4.07813e-08 619.6154466 3-Hydroxy-beta-ionone 4913.035496 3085.469181 4553.753999 4371.238249 4417.605873 6076.840933 8738.164175 3647.498718 4457.959779 3467.31026 4543.066858 1431.311818 2551.301937 1361.708352 3988.562464 5068.027735 5376.426783 2110.596178 2826.593326 2166.553587 2106.723073 3292.833838 3555.667844 2281.932318 2386.648492 1532.140523 1680.131514 3724.980796 1603.197259 3456.968688 2376.10643 4599.130145 3432.262558 3285.607019 2259.238786 2319.967931 4639.715662 3035.0158 3432.492012 2651.230843 2701.479457 3393.028023 2564.55345 2487.385359 2663.485318 3304.223866 3364.709843 4566.963127 4618.495118 3047.692083 4169.488354 3376.078966 10425.2932 7561.876566 Betavulgaroside VII 4.07813e-08 3531.390922 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5555.181264 56013.06464 70252.90779 62860.56519 65171.09164 155593.5391 43128.67027 73120.7677 95360.6689 99048.07203 4.07813e-08 4.07813e-08 430.8693723 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45430.09807 103680.7714 186703.5977 55360.13764 182016.2329 74882.45092 52612.22353 33296.33529 116396.0378 4.07813e-08 4.07813e-08 859.208644 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.33971829 4.07813e-08 4.07813e-08 485.1310605 1326.616752 471.1927109 4.07813e-08 137984.9616 4.07813e-08 13828.09031 4.07813e-08 Omega-Carboxy-trinor-leukotriene B4 15829.94834 10399.18256 12365.00221 15015.81845 17368.4459 12267.77542 16006.37137 12232.85224 10662.04556 4237.110271 2626.578324 2090.521212 3464.189734 2665.343536 3263.552682 282.8618829 747.8480596 3870.201928 32888.51181 32229.84943 27941.62511 24180.50887 36584.44376 30331.43747 28638.96075 26286.08439 27486.12876 1953.381734 2077.391103 2569.851976 1615.57367 3885.441087 2845.501583 2727.536126 1433.632488 2545.706456 19023.84612 25330.35103 24461.74409 24639.62111 27391.86186 30696.41459 25942.85775 23684.53361 30867.9437 28023.81619 19358.11182 23162.31267 14416.96475 16208.27955 6188.349494 20989.83661 2047.224531 17695.15278 4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17571.6231 4.07813e-08 292.1846101 4.07813e-08 394.3777589 899.1076745 31827.38131 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21675.55661 4.07813e-08 3431.327606 335.9844189 23990.07227 7677.943721 194.9906798 9494.639064 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6869.884205 4.07813e-08 Erythrityl Tetranitrate 10562.90925 7727.148658 10617.41949 7266.661873 8565.684006 4071.906663 6441.156667 9066.250822 4536.769412 5537.84823 5386.568351 3931.301248 4878.781595 5723.076734 5194.98299 7262.711069 4696.197383 5309.636908 4715.109142 3060.369182 5541.464376 4087.972816 3995.113098 4372.763556 4522.464168 7431.263553 5856.369783 4729.978638 7506.167083 5331.041298 4909.193973 7231.538135 4458.959218 4188.953295 5611.054745 5912.026713 8389.780897 6346.635241 4403.983587 4466.67746 5704.669405 6908.721476 6614.998905 6920.166683 4830.892466 5947.443206 4845.30293 8473.361762 5878.774359 5476.841832 3130.093517 6700.005045 6438.85791 7211.985098 Auramine 1353.425317 17915.74329 563.1133815 1097.829787 5278.754027 122858.7856 284875.5531 2576.900876 2559.399684 1986.154673 450.1024849 653.2290358 1527.464897 1076.182426 53894.58487 211.2393373 957.8756872 418.9516442 2103.695165 16805.43439 3302.690825 2802.407302 5029.949696 88921.56156 107916.0071 3325.891721 1932.09816 1261.825973 1043.561182 1300.302976 979.826967 1572.324904 20164.49002 823.1470673 1062.697354 871.802944 996.4644935 10152.33521 1304.318185 2238.76438 4523.065311 4410.350147 83538.72543 2907.794736 2560.083409 3450.890033 1858.057969 3272.301972 1977.050097 1695.706561 24954.54945 2649.143603 461.5086952 1457.091926 Geranyl tiglate 9018.674649 4717.536867 7580.78777 9143.09526 7282.700267 11795.6843 7627.051115 7193.898397 5953.434864 546.2050574 686.9017841 292.8520712 312.7215452 615.4776067 583.0402923 1179.969527 496.6501942 1114.860016 9520.03021 12321.34455 6318.415475 11596.75873 10352.92538 18030.6764 8305.22826 10805.0163 10320.26797 519.030848 552.7744295 860.1603082 1002.020818 946.469143 953.0129756 1171.994959 720.8016237 1109.032468 7791.740212 11095.2805 8356.206217 9825.195069 12228.79828 9425.109878 17927.55846 11328.81666 8234.537023 9063.349621 7617.808175 12644.25463 8426.890958 7535.42046 1274.78291 7526.880613 1574.127145 11218.40465 Istamycin C0 23416.81912 16099.2367 16242.14734 26496.52394 25680.33342 21571.60936 20218.69153 12807.7252 11733.45089 4087.001798 4406.32429 2956.171057 3986.515632 3581.093684 3256.868842 1670.977428 3074.709391 3593.963188 37126.8695 40596.17992 33021.41137 37001.24252 51286.71029 37720.75152 34445.16561 36677.48353 40946.3268 2355.641735 4605.376474 4256.402814 1591.185491 7167.744914 3586.726658 4856.979714 1046.83979 2228.290707 83458.00295 31661.68719 24474.77314 33063.75334 38459.86132 42853.34812 34875.17262 31770.8133 45101.56847 26502.50289 17732.01964 23025.68391 23375.95599 21877.15081 7091.720293 21890.39507 4385.937702 22206.28796 Biotripyrrin-a 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1032.821646 247.6641847 4.07813e-08 4.07813e-08 4.07813e-08 338.621933 18658.54726 15.92724924 4.07813e-08 192.6757204 4293.241104 4828.063313 36562.65416 56.81701185 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11431.16111 13.08562344 9490.899123 4.07813e-08 14322.32539 13147.71596 775.394469 9189.716688 5644.235439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1718.974502 4.07813e-08 13256.43619 4.07813e-08 FPL64176 395.9363968 177.2068339 104.0084863 505.6812606 707.5999375 585.7574847 2012.263057 623.662477 1054.728835 24.25753888 95.70720459 100.2974836 6.966716745 207.199171 33.68046337 15.78119223 79.57611056 26.09405689 757.485713 2460.39727 467.5349769 1096.202838 2256.010982 8266.877195 2506.549093 2702.194672 3164.327569 4.07813e-08 192.9063746 76.75766581 88.36652194 281.9022747 4.43070564 22.77060669 1.161933489 5.851380261 1046.809979 246.0765449 262.0229304 762.1563478 1603.576521 2447.460796 8224.419179 2933.45273 1998.863234 2713.542621 1566.783649 205.8453406 32.26179893 19.39607004 186.0692231 127.2792876 8.362091703 3881.859978 20-epi-20-A4-NeuroP 4400.463617 7041.475671 3571.982631 2907.559922 4354.711202 4341.397988 1046.283884 8723.296051 8790.280931 4868.629382 4980.385406 8730.531622 5357.956713 12003.98519 4014.957616 7997.066265 15812.62428 18372.28709 2598.301079 1961.075677 4213.798817 2598.555313 1643.173197 1617.039536 2267.179653 1324.013237 2064.605336 7827.174013 11440.7398 27517.05075 7069.386323 21146.46041 9796.302984 7871.936843 10037.94589 26593.23316 7734.691455 2167.215709 3990.660457 1505.788051 1826.865626 5164.695713 1253.76679 1400.698054 4532.005736 138.5442247 1403.427595 2892.053404 6027.730178 5734.512172 16830.50493 5200.203715 7938.670046 3912.828642 2,3,9,10-Tetrahydroxyberbine 1612.288177 2669.052883 1755.683436 1594.192583 2787.550025 952.2480814 1048.573851 1061.385357 3013.969141 2345.498756 1016.667599 1862.855293 2620.711348 1686.777865 1084.870425 973.1424507 1404.47966 18659.24808 3499.227542 1270.379859 3073.13523 3499.466772 1730.946273 716.0400683 1482.555384 3661.492199 2446.706886 864.580082 3759.694061 851.0239453 2926.377435 1923.220971 1057.057628 2521.888553 784.0241787 2084.49496 2398.850343 2010.647487 2914.711413 2309.174529 2113.733785 2007.434852 1064.516187 2623.664322 3547.505731 748.9689902 1612.734655 2148.076225 3095.774648 2868.144599 3475.042193 2623.908831 1255.651428 1209.441817 Bafetinib 292.4000627 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.169524226 207.884908 246.8844835 4.07813e-08 7185.83237 8928.754253 2785.921795 3989.093386 553.4746812 18759.32489 9883.822915 3345.075211 1388.319547 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2046.263694 14171.31735 109.9337287 11106.33996 1397.149039 5023.008003 20561.58877 8132.95678 3324.935144 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 229.7703142 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1020.403011 4.07813e-08 713.4724409 4.07813e-08 5,7-Dihydroxy-4'-methoxyflavan 3103.356529 2086.278847 2632.245551 2460.910591 2992.171164 2823.459552 4252.435036 2281.782112 2280.084555 2532.88507 3406.920691 8987.740467 1936.733128 7099.845455 5540.166097 6414.188545 14875.14703 8562.982632 3392.721926 6613.7317 503.202303 3323.779287 6352.423455 8508.809303 5622.706639 3115.48747 6347.418123 1793.350464 1215.303249 12783.71966 2298.331503 4437.264506 2058.000895 3821.412134 4083.761502 15044.10399 3217.294373 4241.312027 1556.507379 2463.855952 4026.762638 5043.952639 7528.077518 2723.070088 3590.213727 6794.2707 4498.052972 2330.777247 1537.235615 468.7718197 2701.882686 2597.700864 955.6571007 7151.507787 [6]-Gingerdiol 3-acetate 3849.530664 1047.284387 1945.45131 2210.16403 2894.118398 3700.034263 3339.768405 2769.810097 3134.007716 5690.410004 11149.00758 15619.64467 5819.158506 28465.70292 14417.33855 20328.22585 6575.809296 18307.80621 6408.250902 7060.830327 4482.730338 5232.438636 6713.689144 6968.460191 6215.137267 6530.887106 5885.624199 4628.462232 12591.20444 22778.37004 10932.06149 28688.53126 15219.69028 9918.515526 6553.684685 16006.73068 3739.057902 5226.054532 3653.162226 5877.713012 6896.527632 5397.125924 7832.928405 5961.273695 7555.39542 4279.775646 4107.46075 3412.907369 3479.158744 4146.473551 17394.96159 3933.145542 5711.177868 6453.08472 Dihydro-alpha-ionone 1448.455396 462.9688526 1091.843567 876.5130172 1091.275151 2180.124864 3168.973132 683.1981384 1591.070851 257.6330218 150.1850049 233.5576048 219.4677057 363.59886 229.3372045 595.1603987 203.0168541 347.1531809 640.3836825 630.7207855 909.7950824 1040.683031 1221.518359 788.7202775 598.7544908 647.0371141 513.4596825 210.2469256 436.6144562 432.8218751 319.4730075 370.6130825 531.5739091 315.9411356 385.5805322 501.8207401 1521.556363 997.2075025 903.6139934 747.177034 933.4938201 1029.033084 906.0232653 673.452425 576.1607156 347.4109395 764.712597 1576.826121 933.8794645 1030.877837 7458.569711 833.5597795 9725.861291 1922.506791 Monodesethylamiodarone 4.07813e-08 425.2119674 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.485166665 399.8005706 33643.81113 78537.99352 36707.05508 38289.96331 136633.3146 32002.6806 75110.6615 36665.86675 104625.3348 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10272.48861 37847.0889 84320.69692 32245.18234 26969.20933 36371.53972 32149.46017 5296.859343 95861.21141 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.928145034 4.07813e-08 41095.02242 4.07813e-08 11546.05883 4.07813e-08 (S)-10,16-Dihydroxyhexadecanoic acid 2937.07178 2013.723855 2916.038959 3180.96171 2854.191558 2296.597808 2647.699253 2086.70484 2291.278327 1553.647483 1610.436171 2052.557492 1350.876065 2445.287528 1622.376302 1742.850484 1543.879916 1537.885016 2352.454727 2133.118264 1938.960591 2103.168845 2161.122787 1526.718619 1705.949631 2205.75402 2120.577686 1458.068371 1854.263232 1958.385521 2826.11309 2042.810539 1751.538751 1649.626545 2112.963154 2120.127937 2447.583562 2335.192748 1764.808592 1664.868878 2371.130375 1615.874911 1916.831448 2710.315551 1536.43922 2288.000015 1767.017691 1583.496425 1837.52493 1708.562197 1361.069311 1884.997473 1578.269429 2981.113355 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone 8774.406475 2262.339636 9206.009611 13471.35611 10842.06459 3691.366355 3666.838046 3978.18448 2591.585079 123.5991012 254.0190163 105.5676906 0.779066521 66.92792549 85.48568643 60.3405232 131.2789824 4.07813e-08 24106.94586 16332.02361 15706.08293 17985.45495 24009.92991 15831.87566 9481.426921 14897.45587 11563.69757 73.28329117 301.9082705 334.3998397 0.359432936 591.5023866 152.9440019 235.1668016 4.07813e-08 4.07813e-08 8580.786335 7664.816506 6799.848296 7415.344473 21879.79786 15078.63676 14689.97191 14281.19155 16372.87078 3767.078632 4001.621867 4019.525958 3550.656055 2664.302747 450.3532185 12519.23152 233.5970199 2485.437064 Capsidiol 9746.859729 7558.416 8696.619678 7613.805053 8106.684989 8047.002405 9763.864742 5295.560834 5464.862044 4998.325827 5140.300861 3967.793918 4509.574557 4293.840728 4672.421644 4456.356413 1639.551456 3124.824684 16571.23111 12299.96951 11346.175 12695.28639 12814.14665 12880.31166 13467.06262 15667.99638 13927.19646 2735.175171 6321.81508 5411.342534 6894.56839 8699.551299 6295.30188 6801.487257 3238.177585 5231.955915 13757.60257 12541.72465 11304.36998 10688.48495 13189.88583 12500.864 11134.54951 14278.94151 14993.41222 10706.2746 9794.064909 10868.92111 11175.37178 9650.072986 7496.1289 10120.07627 9185.375955 11519.92194 Petasitenine 92.72459985 368.0414347 0.155624748 4.07813e-08 171.2991196 4.07813e-08 4.07813e-08 232.0864878 4.07813e-08 2563.244662 2028.38047 1771.641646 3356.551034 12933.26178 6955.872285 913.0289716 1312.204258 10828.35898 281.6033813 217.6720458 352.533805 137.0414218 0.025330688 194.4178317 643.0178848 270.7123434 108.2075649 4.07813e-08 1779.206805 3061.857222 9306.913659 18940.32294 6118.166965 1973.899016 4.07813e-08 20593.25115 265.8023604 117.9142447 4.07813e-08 167.6877041 154.2844537 529.6959938 88.41561431 121.6174009 213.9700508 4.07813e-08 156.8337187 4.07813e-08 509.8229612 223.9739936 42188.53574 4.07813e-08 3603.26129 237.7969812 N-stearoyl arginine 8127.430442 10690.80475 11826.69801 20662.19007 19881.86094 6471.841356 20161.39557 9664.463672 5261.878727 21957.4482 6153.98507 9326.715902 22030.31277 3419.928766 32990.67223 6310.744491 2112.897789 34373.35131 3758.65561 7366.188103 6843.811205 15411.55622 15488.84618 11347.79131 12345.5101 6085.301373 15398.68339 4454.279311 4457.107542 17348.58397 2359.321594 1143.670783 15865.55423 4686.48747 508.1699565 12846.15534 4579.568715 6984.592943 4895.029224 22892.64705 15884.76615 12776.61688 10474.81693 5340.378344 18420.81148 27418.64867 5191.204035 10753.7457 5591.921546 1809.759034 14924.54808 3259.654956 8554.048182 8283.423372 Androsterone 12348.75409 11063.25931 7575.986337 5885.693243 3994.381687 8259.658514 11254.4221 15260.93122 10885.47987 7683.700861 11263.22602 6087.250556 7142.700321 3075.312994 12652.27773 974.5494553 7487.881791 11250.69357 11452.99079 7937.590303 10205.65595 10317.65243 12258.65702 9184.360657 11429.36032 13375.58259 13151.2731 5704.510511 10342.48457 7602.352106 9724.123928 15324.70927 9294.625988 9993.390539 5550.581343 6007.042754 13499.01477 12506.79766 12619.01636 12113.76212 8691.409857 12481.91139 8719.977439 12601.48994 8955.145014 5890.729079 5720.1905 10905.57487 11421.22432 12048.90669 14781.79413 9615.029829 8243.951533 7576.346043 LPIM1(19:2(9Z,12Z)/0:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51698.71816 18770.4813 313987.7921 36997.11231 460293.6828 187086.822 238128.3946 287409.3909 185270.7838 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 948.4059748 4.07813e-08 108619.507 22347.47765 4.07813e-08 32324.64218 8497.720736 4.07813e-08 18021.74443 115157.8177 12787.4721 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8552.52538 244.1599838 2289.065228 4.07813e-08 74774.73799 4.07813e-08 433.4113947 4.07813e-08 Menthone 1,3-glyceryl ketal 2018.61587 2328.626093 1741.933426 1875.219721 1678.252041 1574.990289 1875.083894 2019.045798 2183.467218 1440.626949 1139.511951 1110.226393 1325.594181 1534.978475 1003.676752 2193.909124 1129.845645 1578.177508 1284.949187 1142.730251 1263.541844 1073.687042 839.3587307 752.7652144 1629.857741 1628.406484 1437.495559 1170.554931 1178.557566 1398.769369 1321.445206 1214.578839 1398.92687 1160.852468 1438.586947 1335.360943 1736.877756 1202.638282 1449.471916 1186.855938 1060.918359 960.6585108 1190.814026 1962.983029 1325.101414 1182.822739 1273.824998 1157.116942 1905.185428 1476.504864 1251.478658 1239.447642 1628.105119 1713.889258 Olmesartan 2151.28568 1932.039847 2218.563616 716.3821279 3119.404485 2085.456445 1998.358141 244.0475535 957.4473887 616.9188789 263.2902417 444.6650383 650.356984 463.6945622 2135.572605 439.7449403 1332.7453 129.4267633 8213.899462 5889.054031 4773.100802 4170.03722 6709.548263 4547.773505 5986.753122 5044.777389 8117.602486 814.827122 1438.878873 1608.753891 1295.554424 2097.103557 670.3467004 1499.472564 1258.933333 1428.074092 3730.475205 3841.87859 3875.143618 4526.78793 5631.953857 7076.529599 3956.351716 6174.2701 10619.6873 4041.357952 1863.596934 3906.997516 3300.965873 3510.037705 2602.088208 3558.207004 1220.158882 2655.344424 Rolipram 1833.261311 1167.205844 1172.20717 4450.883718 2942.61429 2001.341044 1898.013188 2402.041522 312.8973775 3935.850207 3964.769369 4640.512154 4170.347875 3731.757107 1045.988019 3164.031866 1396.837332 3108.232768 581.2214641 800.1399001 338.5824578 524.8431916 504.0255664 1689.298929 445.1547872 398.3509373 584.077236 2139.267416 4483.641349 6834.9885 2820.473195 5688.869807 4237.787203 3236.68421 2121.136845 3917.501706 4583.131848 903.7331243 347.1351428 541.1838715 1042.762812 739.3323291 1246.162709 541.0271512 874.5818177 1366.060582 588.9848473 194.3213768 0.206121849 697.2672624 3861.222184 252.2276237 3879.877005 1208.114623 Flumazenil acid 3464.042574 5038.835476 8211.279748 3426.421279 5095.038797 2936.882215 3505.332716 6455.046608 2925.343723 149.7808415 61.19169261 182.0730738 210.4540238 55.83457329 79.36430952 142.1224427 49.82624876 63.98851913 999.1408021 266.8716535 1791.590466 233.1440835 332.4475698 1954.435977 2179.286631 105.9880609 285.4890606 55.2301153 282.4020453 59.44976857 4.07813e-08 59.02597928 4.07813e-08 340.8632877 138.1850182 83.14980327 166.6668013 1263.650717 1908.085 1051.882971 761.7070163 4.07813e-08 3283.9043 212.1504314 110.5370626 4.07813e-08 1168.535438 2233.649903 3683.510993 2823.308076 57.80639103 3201.131895 375.481603 5411.625288 Homatropine 9166.111399 3903.108654 8165.902403 10419.28279 12265.46154 7817.043896 7166.666237 7495.973578 3714.260476 113.562832 4.07813e-08 172.3113751 4.07813e-08 224.8179042 201.1238087 97.00990787 187.3081025 4.07813e-08 6058.614146 8035.069867 5497.231507 5431.173056 7762.950669 8954.291728 6187.41709 6088.941477 6575.013884 277.3960107 61.05381734 569.0609674 4.07813e-08 282.7264002 190.4750171 74.56139143 327.4977197 335.1741909 4381.143654 8138.054617 4919.328131 7218.4176 8053.658052 7549.005454 9221.670949 6445.187601 5684.165614 11526.15813 5000.258 4748.893013 5191.086329 2783.906209 177.5926053 5175.967154 4.07813e-08 12381.51789 6-Ketomyristic acid 2361.326895 1571.429539 1259.494921 865.6920346 557.6704683 1465.378367 1557.366618 1971.389687 1630.892084 539.4610637 319.7848818 206.5076422 565.6238713 222.9963402 413.1746813 51.81876178 4.07813e-08 757.4639374 1542.535169 1353.588984 1114.390728 1301.262532 1488.255192 1317.082843 1542.971312 1442.622721 1308.492492 61.73223029 57.36288768 190.1624002 132.0470179 303.5472282 169.9649141 301.7175432 60.3037554 51.34161874 884.2326758 1361.161725 707.7440306 1332.765488 1351.268803 1077.044648 1412.413949 1379.833305 1397.121365 1073.113129 770.6542885 1162.194509 813.9122082 632.4598636 507.8251255 914.252808 4.07813e-08 1296.584208 Anhalonine 1870.02667 1589.629862 1983.440451 1595.091053 2673.836915 1231.083858 1740.034709 2134.880312 1212.751144 546.1049369 275.0421135 181.5482602 421.4461484 209.9617358 399.8223796 176.3386 4.07813e-08 432.9223943 3907.975983 3528.709067 925.5102199 1795.41646 1427.272424 2524.111644 1965.614668 3719.736049 2214.946677 4.07813e-08 362.0229844 452.4746098 482.5993856 338.3648899 471.9799844 548.5107482 4.07813e-08 560.5790271 2142.12946 3221.952414 1541.837067 2057.667659 2186.085818 2727.85459 2714.967647 3791.159374 2123.924772 2790.880048 3164.070558 3005.764841 1882.74303 1016.440941 281.476408 2954.275449 408.8771022 3492.263411 o-Methylbenzhydroxyacetic acid 8105.300875 3122.6099 4871.250118 4683.650844 6053.387235 5202.423887 6966.579955 6289.490226 5340.577894 4.07813e-08 0.053308324 4.07813e-08 4.07813e-08 0.003383913 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7854.368511 13133.15706 1187.121826 4888.648643 7658.426678 10090.73934 7516.651311 5092.245412 8670.971276 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4517.113794 8860.990822 3023.242226 4974.493635 6896.202465 7144.484044 10584.47101 5684.198844 6541.331286 10844.14296 10434.50566 6751.438502 4888.014449 625.070626 4.07813e-08 6551.774854 4.07813e-08 11758.79229 Pteroside A 4.07813e-08 4.07813e-08 4.07813e-08 88.003997 4.07813e-08 75.55446524 125.6527199 4.07813e-08 4.07813e-08 119.1904861 24183.81113 4.07813e-08 184.3956451 50.34823667 470.5435444 68677.81793 9323.88843 41.08203608 243.5722571 339.3357981 119.9425213 125.0031358 469.1408285 248.627785 131.9905857 88.06083555 153.1047967 69448.33261 58.19017201 32724.43926 4.07813e-08 66563.29077 55165.00877 69.60353494 37770.5072 260.7949423 64.34330578 529.9997908 89.16806177 294.6171373 229.3822226 311.4100423 203.467077 218.8189865 394.9270282 112.1219948 14.0829092 4.07813e-08 4.07813e-08 188.096666 1895.120874 64.20811001 27383.62075 56.3607099 Longifolonine 770.9214334 567.8679292 4.07813e-08 259.0995061 4.07813e-08 528.6896057 542.9569167 882.3632182 948.5650698 23935.50943 28230.21009 23659.11263 22062.96216 36266.56635 20974.19598 37378.2044 45027.30974 30353.45127 398.9209533 119.9573308 87.80285086 606.3154065 4.07813e-08 196.7965451 649.1416287 4.07813e-08 4.07813e-08 14158.12994 13445.01973 36984.98167 16245.92553 40982.86786 19349.60594 16044.23899 26294.80191 45623.3177 348.3696312 106.1863686 4.07813e-08 79.88015132 4.07813e-08 101.1704075 183.6163283 4.07813e-08 4.07813e-08 4.07813e-08 374.2581153 484.9891272 484.5844903 94.79464154 22008.26074 935.2762706 19037.42558 747.7013882 Guanethidine 10890.0772 5981.648511 9412.289561 6856.051097 5606.802052 10797.01624 9437.804735 5408.874888 5181.21369 4769.21466 2768.899067 2336.650673 4543.230899 3028.859733 2934.746115 6521.434552 2213.739477 2694.406946 8897.535646 7021.474966 5872.352298 9652.630879 6953.801018 10448.85311 7948.073374 8006.960917 5535.326845 1812.799137 2568.152527 3196.174873 2440.912819 3042.653342 2631.499829 2696.979953 1932.476125 4308.203268 11724.97076 7209.85794 10452.10118 6207.255851 8983.21989 8931.025124 10062.3717 9023.683651 4638.494847 9339.038949 9259.867206 11237.84191 10409.96054 8321.957194 5578.259684 10937.55952 5016.886647 10801.72481 7C-aglycone 4.07813e-08 4.07813e-08 185.5324201 86.02322689 247.0854068 382.3688495 4.07813e-08 118.3117272 597.9008723 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 359.0403774 4.07813e-08 91.80971402 83.58956599 103.7141663 4.07813e-08 89.31243245 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.50955352 4.07813e-08 340.2479087 136.5864175 4.07813e-08 4.07813e-08 65.81103533 4.07813e-08 93.37572672 4.07813e-08 194.0999461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 83.78455238 4.07813e-08 101.8927424 4-Coumaryl alcohol 6074.83831 6268.504709 5890.659309 6522.630194 6685.534493 6593.945851 7639.992243 5487.950704 5184.079665 4207.957915 4346.914962 3698.023744 3903.086867 6220.114179 3979.084913 5312.683557 3857.035377 4192.677975 3833.768944 4331.780348 4268.885424 4185.258587 4200.576473 4169.292263 4233.531534 5411.178676 5041.766224 3958.987118 4718.554863 4734.956192 5271.37448 4067.751591 4300.813542 3291.346889 5826.347436 4825.764637 6426.657356 5708.988527 7925.103973 5862.086012 4879.077194 5395.617197 4549.078558 5222.930017 4959.395611 6370.99479 6233.932171 5931.029963 6226.379097 4344.183598 3604.63931 4639.948382 7434.15879 7227.065278 Propanoylagmatine 9350.202951 6538.341892 7767.602628 8721.351744 10762.84097 8240.86565 7925.809578 6969.129252 9346.31644 1869.141052 1837.387478 1690.932599 1975.266547 1380.436107 1371.856927 2553.244327 1433.121768 2087.597563 4217.145903 4429.625931 4317.026574 5174.040686 4115.030836 4710.876926 4198.905776 3409.246157 3313.230423 1788.396168 1767.298184 2738.59492 2247.541113 1748.639687 1889.639831 1769.375447 2219.248662 2233.017372 6815.964406 6095.212287 5567.757517 4087.950658 4160.913262 3897.899116 5199.421337 2988.492221 2973.871435 5819.267021 13185.6345 12366.20109 8608.586981 8724.884221 1810.25482 7324.101682 2566.862475 10428.27115 3-Allyl-1-cyclohexene 1750.609816 1286.997904 2196.714537 1177.403958 1242.307407 3155.520544 4657.396975 1326.294642 4326.826886 705.752012 701.192982 643.6303673 698.9053187 651.7111116 586.3733722 1160.680845 968.8593701 695.8109188 834.5613762 887.9145821 741.5345842 1358.75015 1069.679097 850.6953917 977.6039263 986.4954828 897.1416441 633.3078467 662.5825818 753.7922582 744.061389 689.6286408 673.164858 629.6498697 890.1321415 832.4868838 2636.217285 1533.103008 1562.918812 1041.930069 1240.442538 990.4395563 1082.556115 999.9517706 773.2327073 794.3150983 932.7103204 1304.736325 3179.965468 1036.56376 434.475355 1112.558314 879.6723928 2618.435134 1,3-Diisopropylbenzene 3458.392433 3439.565102 3725.531565 3576.870048 3839.298979 3217.920401 3303.700919 2990.192773 3046.059119 2276.928013 2322.082738 2142.430741 2291.357583 2828.301556 2074.864969 3042.721005 2362.659527 2562.768981 2123.910401 2650.626185 2384.397034 2428.551885 2404.872261 2325.759371 2236.57722 2682.083263 2777.00605 2719.987175 2906.765962 2762.180426 3329.160689 2594.72306 2319.241654 2208.287021 6233.648933 2792.69709 3234.848415 3014.17565 2630.88036 2294.57019 2241.894823 2273.662417 2253.342444 2465.430017 2544.213555 3323.916362 2830.869705 2743.054538 3028.696341 2549.782896 2077.013755 2844.772313 3015.147702 3459.2999 3-hydroxypentadecanoyl carnitine 14826.66031 10023.46775 16094.90598 24604.12364 23136.18623 21827.34812 11860.92344 8499.742236 14153.99347 4.07813e-08 4.07813e-08 409.090944 4.07813e-08 120.2165604 4.07813e-08 4.07813e-08 1066.06428 4.07813e-08 25955.99441 20119.99536 15561.08432 25340.98598 19789.49755 21192.45102 14344.53752 12431.8733 20600.37594 4.07813e-08 4.07813e-08 126.3777802 179.8959633 4.07813e-08 4.07813e-08 423.1649969 244.5790687 527.7722282 16561.09756 23440.25095 16060.48342 23042.8568 19471.34807 20925.42412 17884.88132 14214.61631 16232.73948 18217.55285 16882.46327 22917.68898 15924.46573 10402.85455 4.07813e-08 17233.58173 94.48071857 15356.55141 Bisphenol A 1581.255908 4.07813e-08 130.5432826 150.6018501 78.85831879 2901.064438 107.3241925 150.2982649 233.7942409 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 953.5236525 1075.441826 192.7865151 612.1998041 756.8847029 4.07813e-08 1873.027695 4.07813e-08 4.07813e-08 793.4384205 4.07813e-08 4.07813e-08 43.88156314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 631.8438684 2165.431072 4.07813e-08 116.5574066 144.5987234 51.77793712 4.07813e-08 1828.034394 66.6536857 4.07813e-08 4.07813e-08 215.3568904 329.073573 53.11799905 4.07813e-08 4.07813e-08 74.77112072 51.27823542 3855.578183 xi-8-Hydroxyhexadecanedioic acid 29680.29986 22803.01403 28988.40699 25833.185 24977.85015 31910.13647 22817.12832 28497.95493 23346.2926 5558.182646 5596.83491 3841.096719 5694.870552 4616.718389 1699.911229 4297.159621 3307.533694 3268.872597 37879.05414 36668.52894 27453.0913 22645.5264 37524.92651 56128.90292 30049.99067 23075.11775 31141.65632 2874.958962 3527.860686 4142.218965 3041.868101 3777.360146 3966.65335 2793.092192 3511.077118 3539.562018 16270.66007 32507.97312 18479.13826 36813.93733 27384.67029 29964.55682 60102.1138 24330.12939 22628.40803 51040.87784 24303.82609 26963.14936 17716.17555 13384.75686 2534.980314 21976.86426 3893.656105 32133.94412 5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside 69370.02871 70701.52006 68310.4362 62298.08753 69348.75612 60478.41338 60819.2658 65002.99293 64640.12769 43311.37252 40659.85003 42188.67321 45607.52656 47798.56012 41619.10301 49376.69147 40505.1585 50644.0999 57715.63175 58410.50743 53330.72851 50168.08 46447.74927 48957.85477 54148.99408 57696.03827 56203.82817 38929.95613 44829.0357 48549.68032 50645.98144 47036.84873 43541.17136 39175.91109 47995.2466 50486.30849 58719.89966 52014.90159 57310.5866 50529.18513 46672.99238 50368.75609 46983.90357 60861.25952 52956.26429 77753.31428 61273.82876 54292.0414 53824.36313 48869.26435 38434.92478 55465.85553 51619.50873 68630.43028 Glandulone B 1118.181077 2124.23423 1701.76461 1625.155373 653.1803828 1868.922372 1334.509325 3158.613492 5147.850951 1578.495922 1944.380159 1275.816856 1364.840711 1745.866943 218.9698915 4230.947144 953.8754375 1606.986195 4.07813e-08 107.8991408 360.7845022 905.8881691 4.07813e-08 131.4220885 140.656844 131.9034527 169.2160449 449.3570893 446.0820829 2184.382488 1805.744126 1848.302591 890.7427947 625.913877 2790.484779 1027.747487 1162.161798 239.5601441 567.8409466 64.16106657 54.91142012 4.07813e-08 47.92867199 4.07813e-08 53.06959505 261.6015072 524.6628629 505.3864386 1008.007595 996.116949 1298.937705 549.0294135 1496.649082 266.7001344 LysoPE(0:0/14:0) 1087.857465 2082.565379 2877.537539 2162.805298 1477.783868 2655.232053 3205.330584 342.2037105 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 226.9866117 4.07813e-08 3373.96374 7760.104626 3328.512782 4860.135395 2218.116035 5526.184992 659.6050137 920.6609785 595.8210383 4.07813e-08 4.07813e-08 469.5600727 4.07813e-08 4.07813e-08 137.3406668 4.07813e-08 4.07813e-08 4.07813e-08 2448.909009 3570.383398 3266.076302 5528.411724 2978.996337 1675.717991 3148.295639 1582.714902 1621.33524 13687.67184 1144.971249 6193.627377 1693.853248 1392.017301 4.07813e-08 2696.404671 4.07813e-08 5392.181838 Deoxycorticosterone 10857.52406 19466.84739 28716.27315 7204.27734 6013.666243 26525.66562 7096.020182 46154.49822 45159.41454 140.8404623 4.07813e-08 891.4703767 4.07813e-08 786.4217075 1320.058923 176.9738577 689.6323307 1225.795789 80861.09539 42314.19335 54495.7444 22320.09504 17067.04394 1758.99588 5105.566869 883.5396612 1501.156137 264.5758653 560.438312 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 534.105106 240.2903241 4.07813e-08 38533.52651 22376.96175 63836.3197 45634.56061 12603.05756 21809.36214 1937.197461 1052.387153 381.6510557 116073.226 93461.31627 42418.77835 40632.03215 18804.24949 4115.992418 61266.4997 603.5230885 18819.95697 3-hydroxytetradecanoylcarnitine 4.07813e-08 67.109134 4.07813e-08 286.9885023 4.07813e-08 4.07813e-08 121.4108991 167.407499 152.8799642 1150.859759 2414.41328 5230.817588 1282.940188 29494.84839 6434.32935 16510.48961 78375.32741 5789.100161 0.068353781 4.07813e-08 4.07813e-08 99.71498335 191.091804 293.6821773 4.07813e-08 4.07813e-08 252.3725393 6909.33467 3589.291004 16059.00093 7681.559235 19037.142 1024.726205 2103.754921 32173.35204 5479.435401 4.07813e-08 4.07813e-08 331.6939979 91.83810608 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 598.428049 4.07813e-08 4.07813e-08 2651.742723 446.1581472 8361.647632 1087.949857 Di(2-ethylhexyl) adipate 75841.4722 49924.50268 38017.36422 58844.64374 25556.14564 17465.33701 18772.17116 16552.56508 31345.24532 654.095887 530.6085207 4.07813e-08 1437.395968 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34160.54331 22460.59031 19289.38017 28483.07018 27332.89072 3439.072073 18691.48056 24950.40978 13941.128 4.07813e-08 4.07813e-08 972.3207212 4.07813e-08 4.07813e-08 1452.597111 528.131483 4.07813e-08 4.07813e-08 38549.26176 43831.14865 21101.3476 6663.360487 15708.18855 27606.66753 3553.690594 20876.10921 27618.46771 17426.88848 13879.24034 34271.60931 25090.44036 33634.08197 4.07813e-08 14149.59392 126.7541243 18892.26738 trans- and cis-2,4,8-Trimethyl-3,7-nona-dien-2-ol 2031.712448 2180.520459 1963.748963 2062.168455 1772.78444 1480.346476 1738.004319 1588.606488 1711.118084 1343.658244 1122.755836 1271.749937 1559.129426 1375.697368 1056.152326 1494.673749 1354.733822 1527.486428 1184.52749 1278.030651 1196.205524 1405.462058 1253.240988 1266.712478 1407.12481 1638.494369 1271.314427 1097.93192 1232.771403 1488.348103 1661.307022 1295.192237 1288.664686 1212.676218 1614.377086 1599.245967 1379.831238 1255.557941 1369.312103 1166.623401 1185.561484 1235.978095 1380.066134 1515.767038 1390.843407 1618.951354 1404.954697 1428.097481 1518.863637 1415.500846 992.9924463 1307.714479 1528.821072 1996.189549 Sclareol 126.517847 9930.672292 29016.11433 33758.95348 43942.95088 30292.25812 21618.74873 17414.88208 12781.52316 7.213688838 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.89082732 4.07813e-08 6.542263802 4.07813e-08 173.4146674 11841.52526 6129.945319 76.8333883 15249.58896 2339.595803 230.857333 9881.457896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 210.0434607 361.5255931 9725.368296 18644.27801 11499.42959 16.18276172 16564.32043 4.07813e-08 1152.21785 4.07813e-08 4.07813e-08 90.78259734 1357.063564 1085.878818 4.07813e-08 14119.01862 4.07813e-08 10702.78825 (4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 14908.81817 12412.00668 13631.83437 13234.89051 11050.9816 39066.68686 37150.10979 14990.32511 15268.0396 8260.284343 9316.185148 5885.308555 7523.022198 6249.753229 8115.020094 13575.70719 7119.35468 7438.549267 9514.32105 8628.479526 13066.96079 20778.73725 22005.51996 15625.16679 12520.92271 14463.54579 15035.7551 6724.774224 7467.652975 13498.61826 15757.74145 10609.66009 11100.8289 18129.61741 8672.160769 11341.92385 35261.08978 21056.54143 28300.65758 20673.13902 18945.68133 15802.74562 16799.69511 13261.60686 10499.24274 11015.18937 11253.40256 17347.35732 16837.00286 14431.23484 10301.50857 11128.22714 18478.88145 13260.46662 Linalyl butyrate 10866.88549 11220.20991 11046.11528 10911.29002 10480.08464 9578.769745 10168.41103 9506.67051 9542.291074 7527.597988 6838.510853 7222.796198 7223.041131 7679.733425 6459.933072 8862.026378 7070.22583 7812.878482 8030.24419 7564.588067 7208.607409 7042.323541 7440.287848 7189.738772 8332.267318 8026.48591 7751.276658 7409.838868 7560.852307 8517.658436 9310.89573 6992.391238 6562.024019 7050.385694 10253.10814 8482.220684 8781.558013 7174.460465 8210.370235 7095.225373 7034.448239 7517.940628 6862.209969 8755.371182 8136.287462 9401.539729 8341.515667 8448.731248 7792.018998 8073.863098 6543.673342 8455.169323 8414.235868 10090.42895 Avocadyne 12498.74423 10903.63836 10684.15463 8965.560561 10348.08256 7795.799335 7972.641625 12798.44729 12116.94654 7345.101528 7007.90964 5164.279187 5699.829993 4904.613432 3654.813679 10330.80723 5980.285276 8572.870368 6444.190152 6746.061821 6399.004874 5285.827755 5184.22463 4555.133106 9609.739698 9645.61315 9175.376315 6437.97306 6476.667023 7169.953355 6663.351197 5213.535645 8815.285045 7226.515181 8011.540965 8391.190797 8328.054214 5600.565505 5939.962484 4761.193903 7977.965116 8346.017636 8308.268819 9005.848231 7887.590775 7554.712333 6654.910852 5571.323362 11509.40929 8738.25008 7175.588094 8449.035975 8372.22398 9497.681963 9,12,13-TriHOME 3707.034782 2989.564529 4184.697345 3281.432355 4559.848601 8843.733488 2052.388288 4072.287102 4848.981224 121.9386593 166.6280684 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7684.158632 11301.48956 5884.758294 2774.809368 12110.93636 18064.12643 2868.396753 13633.18391 8463.715966 4.07813e-08 4.07813e-08 202.7330546 4.07813e-08 122.2472255 213.795766 88.2715882 4.07813e-08 72.85991604 1389.48843 6704.512518 4280.962741 8650.844076 4809.203702 8343.169695 21383.10969 15259.24443 6821.89127 24197.46448 3537.388208 4492.682547 2023.468406 877.2979463 4.07813e-08 4942.032479 4.07813e-08 6101.372857 (-)-Matairesinol 4.07813e-08 4.07813e-08 3941.688154 4.07813e-08 6648.481563 4.07813e-08 4.07813e-08 4.07813e-08 42385.21089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34403.87688 4.07813e-08 4.07813e-08 771.6020702 995.2087702 138.3842552 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13542.82465 4.07813e-08 426.4197739 147.1713329 773.4979626 693.375766 4.07813e-08 4.07813e-08 20259.58631 711.5921659 348.2295406 4468.768126 4.07813e-08 4.07813e-08 133.2607169 863.6726511 3558.508773 [(5-oxo-1,7-diphenylheptan-3-yl)oxy]sulfonic acid 4.07813e-08 1888.507732 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3095.858057 832.2981085 8985.978824 9562.526988 5472.738719 9527.358827 3639.457161 1973.760721 10130.85868 12661.55186 24763.65868 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19929.36693 22776.93039 15659.10123 10545.51645 18943.26481 20030.74132 20315.60264 12167.52176 18239.59657 5586.764159 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 303.7499125 394.6559785 1073.953829 1405.898129 28079.50686 2844.623179 11258.64505 1177.53659 4-Nitrotoluene 2386.287536 2489.352112 2761.371435 2265.647172 2599.128133 2091.827027 2379.20575 2269.857969 2423.759861 1802.27983 1474.374738 1460.640315 1511.222971 1698.139644 1318.308436 1983.563398 1603.911025 1903.838026 1649.518463 1634.307886 1598.581163 1701.872202 1552.931714 1714.057597 2019.560743 2256.593834 1945.063021 1482.216765 1736.919128 1794.430223 1898.526883 1672.571872 1725.315047 1463.073547 1677.820863 2079.028315 2001.09003 1694.460089 1882.903258 1641.708945 1699.731328 1517.502531 1632.003797 2114.828472 1821.465952 1842.629208 1820.414534 1856.965766 2044.160896 1862.239019 1590.963659 1972.78699 1703.781505 2228.259143 Gentisate aldehyde 730.1958414 1007.514721 1290.445272 1272.474791 1066.111342 876.944564 495.2557405 558.4117973 493.3913809 469.2142259 381.3957511 620.6367686 650.5748905 522.0158269 610.4957134 304.043917 400.5732642 709.9199972 452.6040101 582.2848973 467.4103147 756.272316 561.1105844 717.2005395 625.7947959 668.579089 523.699065 638.4206833 598.9306721 590.8199675 775.0732808 741.3011356 425.8972494 435.6633979 472.3691273 619.0208097 728.3832879 480.7544335 724.0520204 782.2143441 620.208221 352.9933561 568.4958111 753.8906961 739.4420116 978.5118286 579.7257289 633.9465714 399.7402592 366.4977136 475.1514773 817.9111016 867.0429937 1056.94126 (+)-1(10),4-Cadinadiene 17447.43267 18320.8451 18975.49921 18070.06519 18946.03557 14255.2973 14366.0189 14269.15158 15306.93033 12701.72709 10351.17611 10052.6741 12354.55537 12016.10753 9516.707129 13686.00088 9990.73891 13666.44809 11467.35348 11691.21899 11114.69963 12221.34841 12094.40307 11416.24772 14852.86508 14026.31148 13519.52096 11546.74558 11850.57711 14316.19502 13251.62114 10927.44 11969.38626 9984.916721 11730.83833 15196.26712 13213.26598 11494.96982 12014.57132 11401.00068 12025.80717 11893.22254 11881.57256 16443.70651 13471.80019 12792.73995 12598.08383 11788.71424 12483.86649 13756.06161 11167.33033 13868.94885 13839.54226 17689.14486 Nitrosobenzene 7534.87505 7525.205731 7232.365967 7023.327376 7140.884646 5994.393482 6175.273166 5911.185064 6496.469321 4791.415443 3974.494098 4075.358536 4790.964149 5092.162752 3789.929833 5460.555383 4351.65564 5399.864125 4310.198177 5050.765338 4546.63562 5129.725817 4608.925361 4944.478543 5802.979926 6521.748609 5731.516213 4447.608526 4699.498319 5709.061045 5332.008782 4412.537639 5302.971128 3814.904702 4826.849487 5786.416428 5437.534321 4603.449839 4886.382917 4140.299539 4994.286537 4823.924926 4740.064369 6628.843541 5351.485016 5755.998296 5129.106019 5195.598188 5715.449623 4914.542723 4565.796043 5448.861556 5351.972747 6780.525323 3-keto stearic acid 38788.84777 37412.11202 39065.20344 35630.92672 35990.52887 30209.42894 27590.78874 34436.92325 36885.18883 26089.08099 22512.5142 22889.53028 23165.45837 23408.39669 17491.29181 32248.23588 23728.78596 28093.75997 24338.29736 24077.14312 21090.42247 22917.62864 20869.19732 22285.07129 30520.18833 30157.12431 29708.76978 22326.65952 22855.66558 25862.09103 25933.44138 20393.18577 27777.13422 22593.37531 25308.76577 30070.10845 26764.20233 21809.89633 24508.43241 19791.2588 27217.4601 25358.76377 25301.1834 32412.07182 29543.79618 27554.07824 24753.26293 22362.22188 29950.23257 28910.86691 23055.30115 28471.20084 30124.81766 36054.27951 4,6-Heptadiyne-1,3-diol 8887.668054 9179.709684 10798.96695 9729.305985 10239.6012 7501.911147 7065.443418 6996.512436 7805.369921 6834.475904 5328.04274 5243.828173 6465.517919 6681.011957 4642.099302 7374.059077 5253.516139 8322.069639 5568.105092 5894.573775 5421.454563 6817.506821 6089.45718 6405.186505 7274.909081 7368.335416 7431.418168 5945.911281 5793.806889 8657.447009 7241.59408 6342.771009 6836.408337 5097.779369 6141.767287 8155.776229 6526.552187 5649.711974 5769.339243 6454.880223 6484.560337 6243.53009 6137.519767 8895.441005 6922.259224 6834.700836 6445.62312 6299.921181 5932.647467 7059.594791 6352.517871 6354.156253 6570.477712 9649.76057 3-Methyl-2-oxovaleric acid 16334.66412 15933.86844 18425.18955 16697.6302 16578.99172 14708.63656 13889.56288 15192.39739 17228.83631 11305.46802 9541.40305 9839.16631 10874.18555 12087.35666 8753.890278 14427.12922 11013.84269 12640.84427 10528.37719 11112.42557 10819.9881 11735.90877 10802.80281 11056.34523 14040.57323 13776.68236 12915.38601 10064.16554 10363.24987 13496.81396 12390.21063 10572.23354 13208.02077 9827.574858 11014.76764 13203.26904 12106.60326 10733.246 11687.94483 10694.69164 12322.14818 12237.56384 11203.73734 14263.03746 12128.50248 13268.8028 12063.01715 11558.26841 13514.60731 14577.08186 10544.71127 12795.7241 12389.76158 15892.63158 D-Xylonate 645.2163628 722.8960947 1105.908996 983.6993425 1144.092826 746.0577811 692.9698305 530.2377937 631.2570435 813.7381561 450.0528034 547.0155753 772.1750828 564.4721878 438.9005248 619.3417125 616.8075075 699.4616744 597.6804891 619.3072382 549.2564556 707.1469536 678.5493196 714.5222707 551.0274552 818.666213 764.9424848 688.0648429 668.783693 885.2041653 705.5182833 703.8842932 887.352716 413.4265164 766.2536306 965.8650202 766.1274007 534.4349686 488.2144519 646.3260078 651.0295675 624.4055022 659.4923281 956.3608974 713.6797303 536.824464 646.886207 556.6466983 578.2075461 836.9411418 595.4937244 699.1672072 593.3939263 1209.275219 N-Phosphohypotaurocyamine 18951.8364 16647.74887 21680.90267 21984.4686 16315.38148 12439.74187 9003.007685 15143.15102 7027.275597 5618.984752 4372.089789 3965.736709 9548.959254 8127.99911 8556.80126 5243.801302 4108.145912 6667.045948 12861.86079 9236.385628 10632.68699 17083.40448 10006.07778 14599.00115 16083.76222 21077.64362 14767.46517 8239.576548 9279.872624 12539.99679 6216.933136 7034.514911 13776.92472 12573.06648 4363.969643 6847.206272 20263.61575 8641.76022 13180.86762 13983.84007 16133.66681 7611.566985 12779.35616 24458.73365 12777.49231 11890.92483 8474.779524 10425.13835 14909.26174 21113.9423 12083.42271 13669.32957 6635.410399 17476.85581 2-Iodophenol methyl ether 200559.9625 178486.9004 122718.9264 76816.94784 33302.63176 71818.71825 143541.1895 187394.4061 172349.1054 5759.976385 5712.05449 4137.03487 18483.85604 7637.882271 31676.19109 1351.993771 18725.01832 25335.07063 37419.32246 75240.40257 43778.25609 91051.4061 283.9293182 32000.23617 45446.07466 58397.51785 48911.01029 54626.80393 21348.36485 23724.7341 28360.62222 42711.54862 27153.05341 14614.87267 60783.70278 15698.51158 183689.6029 152874.6716 122237.2215 32934.18907 58569.79105 14656.02202 33399.34522 102971.8741 30238.36381 25409.36113 30726.53932 117629.1417 93079.00784 70217.8361 44987.08318 27030.96224 6272.889391 65859.63143 Homo-L-arginine 7285.725509 9038.212886 3888.521934 4511.383236 13017.78871 3882.751328 6143.468199 10212.03168 11394.36704 656.6821098 5179.726827 1768.084423 1284.03874 998.617435 4194.204303 361.8468781 1685.325526 2266.153257 3622.858134 4489.827129 12030.12789 4516.202272 13605.60355 3971.432141 9263.279146 7025.00478 8275.288761 4658.198581 2563.196593 1980.40761 3982.035477 1895.068075 1408.065815 7225.254562 2295.043732 1811.291127 13625.06319 4168.155915 7326.26336 11775.016 10012.33721 5650.752985 6254.31396 11154.09021 1981.980335 5003.159155 4691.483772 5816.645622 10810.01359 13054.6837 1934.414934 8130.42192 4156.610789 6893.513597 L-Cladinose 24788.06717 12062.10658 10237.30654 4212.553845 4399.378381 13128.5851 17369.68922 16241.43917 18427.87956 4691.861994 1891.16619 4.07813e-08 5240.951002 702.9501005 5669.854632 4769.581463 946.6928652 3223.03511 7115.189508 6806.172151 7412.407796 8174.03507 9433.875215 8793.997932 5704.525562 4908.743066 5980.159736 4.07813e-08 884.5991534 513.0013685 4.07813e-08 612.8518697 1085.168424 1511.4728 4.07813e-08 287.5915001 4005.527535 7872.614146 6133.472422 5695.121587 7984.073821 6073.699897 8541.427555 5267.633367 8209.997977 5680.165353 5035.409043 5356.251733 4112.594447 3547.736452 208.5381984 4697.504474 349.3379294 4964.527783 L-Canaline 10497.84002 8832.991431 3536.746103 3648.250688 1086.535245 4231.571957 6338.361041 11877.57047 17442.37074 435.2142407 96.08439395 2386.037018 4.07813e-08 590.3686535 389.8383693 4.07813e-08 454.0344691 4.07813e-08 1832.467357 1679.387359 4512.053906 1342.233158 1445.297137 2604.957602 2875.275562 1932.642186 1202.295353 1150.469452 145.2629629 899.9801328 3695.452048 945.2728968 369.5333686 4078.299449 383.9324623 1047.824959 2698.377644 2858.490748 2760.895196 2701.42742 2030.501316 1236.822802 2159.026949 1127.91194 1897.83458 1675.632163 5891.755681 2552.978933 3727.712908 5721.371619 4.07813e-08 4566.439086 108.2934622 1562.373618 2-Hydroxyphenylacetic acid 28311.82645 25927.42581 44978.64538 52827.78415 61397.19211 32369.21083 46668.56797 19482.47267 20928.02877 3797.799965 4464.28666 8565.701304 3392.030459 9195.771353 4281.369427 4919.406993 2976.132353 2766.62796 31439.0912 26605.17099 33502.89265 30680.31523 38196.61119 33719.54115 27351.7938 35486.95162 37846.08071 3394.249466 6793.06418 9597.690152 3464.268769 6961.807025 7962.398777 2759.66874 4313.330734 7251.493008 23252.44406 31916.2932 31404.19799 33487.89975 37469.41355 31963.69698 28664.82465 40528.35967 33574.1103 23216.84858 20167.57381 31220.65078 27152.67149 28889.57305 3030.518763 26811.79079 4044.267729 35634.11089 Quinone 27459.61213 47852.89284 30236.71307 36316.9227 31622.99343 26968.78271 41817.13387 40062.46507 29806.04415 14836.04936 11723.09406 11900.22862 14623.2906 13462.1625 9856.037634 12284.02543 9487.696705 9904.645246 16514.02779 14921.49959 16893.44329 17067.75481 15549.21649 14057.47113 20510.68379 16549.86015 19300.13071 7799.943045 13010.1049 16388.92778 11166.60169 13083.07108 14145.34379 14161.45698 12164.05965 15531.76796 20837.6986 22124.49542 24116.80066 16676.8138 18253.35034 18518.81798 16356.79895 18663.85774 17197.8517 22844.91256 20292.54933 21453.93155 35339.46042 31679.95231 12068.69925 28559.40057 12523.91996 25135.36223 Methyridine 817.588526 1266.035964 1725.944599 1444.274791 1349.708841 2274.486568 1414.555155 1442.763498 2064.697848 628.4314872 725.2231426 393.8617247 970.5262281 465.3669258 185.2713861 4.07813e-08 298.6191602 808.3277853 3711.783263 2246.063468 4164.069451 2832.031315 2380.069726 3227.423888 3174.138332 736.1504957 1732.389863 359.6994578 401.8544308 720.9608255 4.07813e-08 1108.507818 1529.600942 851.3236943 4.07813e-08 519.3310966 1598.343677 2489.248001 3404.116599 2571.142179 3168.68585 3167.200976 2255.051285 2109.507612 4460.543719 2035.603225 1158.798007 1438.391305 1675.666019 1453.248636 1365.135038 2067.439071 937.6059815 2166.998765 3,5-Dihydroxyphenylglyoxylate 1530.242747 1555.149991 1557.710829 2578.246431 5112.480468 2185.956836 1351.54098 4.07813e-08 4.07813e-08 2199.394848 1150.26476 2479.461503 1366.64113 1791.422674 1202.27322 2874.399503 4.07813e-08 285.7000439 3227.596553 2470.632777 4285.913662 3145.82559 4839.25998 3139.019566 2770.26813 1887.311693 2248.343761 1868.32931 2023.985214 2963.852257 1986.142098 4043.936812 3559.084865 2604.02286 559.3791848 1411.835325 817.1690044 3216.642259 2636.143372 3288.79191 3024.710051 4368.67057 4193.229582 2228.097726 3133.668161 2703.073668 2129.038128 2302.639437 1445.190809 1065.741753 3868.52574 1954.993869 2807.888078 4337.642199 4-Amino-4-deoxychorismic acid 19851.47518 16828.2922 23426.48654 32688.91695 35100.37027 19869.15449 19648.80219 12239.60163 8129.955876 14221.57798 14344.15368 20676.99618 16127.80471 18443.61704 12562.18303 17590.34541 11659.88962 10752.1782 23401.90131 23645.94712 22020.31898 22223.05526 23246.87566 19386.19242 20145.42135 27825.52571 25911.40977 13283.72269 15416.68904 23211.90502 13162.80601 20561.93184 20716.27049 15495.98314 16157.99934 20934.34172 16358.23269 20535.17299 21534.90657 22734.41898 21926.97788 27577.5321 15717.84917 24410.95509 24961.79053 16843.77297 18873.56868 18221.47221 18515.49908 18104.71542 19357.62299 19560.4231 11912.06869 22654.72919 Metaldehyde 1409.821121 646.3732835 797.9087871 818.2550293 886.3730856 707.2778368 510.8815318 946.823138 623.6510555 726.6413416 508.5644545 308.9056691 780.515146 864.237388 378.045712 1206.074751 686.3315793 901.9831138 345.6590431 453.6609987 360.3711748 1020.452822 241.4642729 834.6706943 1025.111511 739.4047482 354.3671051 439.7204509 334.5858691 551.2254804 679.8778848 663.6845697 825.0535805 762.9555876 602.1784524 757.5807192 838.5636705 304.2169519 916.7552628 301.2588135 553.344933 771.406506 585.9164625 747.7053994 491.9538504 464.8354114 990.6000756 269.7026866 714.3404538 648.4862734 487.4038221 700.332409 356.8418928 809.8135014 2-Oxosuberate 452.6386577 697.9565697 840.5028909 1431.733383 1054.225018 324.6825422 739.9802443 2728.001874 613.3298399 935.1507074 1217.423546 2016.461301 1520.231694 1277.018141 784.3724734 1597.31019 2026.712739 1344.627917 798.933824 1059.934579 2793.272756 661.7486643 4084.392451 749.1391935 1690.142332 2481.673269 519.9552297 2196.130812 1583.853615 3343.510767 1641.473227 4218.55682 1762.56987 1010.614528 3026.729661 2570.734411 1228.836326 371.3711166 1640.883512 524.5502257 2135.468211 1859.306135 1317.158828 2050.121528 2710.590989 97.24026457 99.14099853 4.07813e-08 1299.736387 537.8848037 3150.954637 789.0244108 1058.475442 1109.685096 1-Methyladenine 14425.92362 7655.245955 12650.22083 8462.726049 13154.4558 10623.05434 10419.67506 11607.93287 12163.00654 4.07813e-08 4.07813e-08 32.48470921 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28.37474875 4.07813e-08 7563.319218 6317.436888 7604.332471 5414.035899 6503.64025 4432.714401 5959.185639 4865.427509 15599.27336 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25.36561284 4.07813e-08 4.07813e-08 6542.306443 8882.860332 9276.643779 4280.056072 10154.80532 7173.958747 4239.503236 4770.760063 5013.288316 8252.959142 6857.818068 7084.082192 5364.262857 3310.058823 32.32660938 5738.282895 4.07813e-08 8404.952863 Arecaidine 56310.54393 72696.62123 30059.20954 49221.69447 35876.50964 30874.93361 50831.60832 67755.26554 70850.91206 21100.6449 27623.98778 26946.9184 21040.00726 19331.37482 13182.78202 16667.91531 18577.36873 28022.49025 16528.53093 17462.55628 22160.16051 26181.97442 16253.64878 17767.53141 30849.84427 39045.55759 19086.84987 14495.87866 17210.79609 22755.0414 17382.53447 21093.83948 18080.94927 23239.32258 19682.11067 23848.5062 55574.56513 26575.44279 24162.44775 18121.5916 22227.71393 18955.75326 18626.4205 32176.23709 35662.84101 21978.62233 31764.75861 25190.93935 43286.53778 63191.67036 20382.15924 33373.33041 24976.04645 24260.13126 1-(p-Hydroxyphenyl)ethylamine 5800.628346 7266.197537 2340.934183 5885.902407 1892.219448 2747.891991 5062.660229 7962.662366 9316.111412 3962.698719 4139.940123 5883.968008 4299.446082 3441.325252 4656.302562 4402.374565 5161.909016 4903.946612 257.6268313 1249.323062 2399.414193 1120.69238 779.0196796 566.5573009 1254.056882 1274.019967 448.9518115 4314.432494 5313.895477 4445.92551 5983.910048 4740.56975 4421.874351 4198.57774 4413.362974 5565.750424 1501.7063 1664.243754 1613.198375 721.3916247 384.5395351 846.3387429 343.5851965 717.599375 674.57718 248.3803466 3628.75285 1364.918734 3938.319957 8355.509492 4263.250307 2692.509375 5815.772198 2179.038028 (3-Phenylpropionyl)glycine methyl ester 12424.17526 7876.376033 12103.03815 10517.86987 14998.82468 11856.59219 11943.47007 9446.164746 9262.185004 269.7077225 167.2478598 358.0061065 159.971942 195.3415698 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24813.99689 25410.92973 17334.63465 17832.56819 26292.10235 24165.12411 23192.04335 25351.16992 27757.25451 4.07813e-08 4.07813e-08 218.8995488 4.07813e-08 537.2869349 4.07813e-08 706.2427834 4.07813e-08 240.6895446 13938.99945 20063.9396 10442.82794 25895.66704 21615.06496 23826.38742 22879.63066 24094.24842 28904.94668 32056.37136 28431.72613 17136.21773 15580.19661 11933.91893 773.7055325 17603.60694 405.1350044 23449.48985 7-hydroxy-5-heptynoic acid 3241.156653 15798.30548 4178.072268 2700.477223 3086.372781 3241.813876 5018.529173 4205.66638 6332.827304 1777.506015 1619.465444 1418.096947 1611.108414 1765.93347 974.4172731 2586.315946 1303.514421 1725.496336 1929.484908 1702.159153 1961.835751 2389.833607 2154.244837 1822.903078 2803.158805 2692.630638 2347.151079 817.5070312 1227.288918 1583.104652 1243.758885 1842.860705 1141.409703 1289.676965 2165.859943 1775.92422 2598.462434 1826.507501 2530.772574 1847.923161 3165.411666 2655.823126 1794.183368 3061.179364 2576.754659 2073.902378 2511.366499 2747.85659 3910.884928 6557.162542 1561.748112 2316.433641 1921.323907 2619.230709 Noradrenochrome 1774.88102 1638.490497 1581.38943 1343.273449 1497.198543 1614.274619 1313.945195 719.7235173 900.5971434 670.3830466 643.1332562 686.4385396 744.210359 996.7774479 186.0856758 964.4177077 769.1775096 693.4417216 667.451975 1130.389846 864.9832956 928.134221 489.1359775 414.2709903 859.1240477 549.1095795 1041.459355 470.6740585 652.9567977 760.8112845 784.850371 277.4822189 558.6756773 514.058379 603.7865279 1207.986879 852.1871961 883.2189482 671.3203026 573.8847267 1164.47636 1058.433968 997.1196837 664.0014962 605.4471815 1417.120947 713.7532408 701.0361479 922.3442806 1193.885257 556.996705 1051.223452 937.0739707 1275.137546 2-Methylindoline 811.3126178 606.1424873 727.2446344 394.5356568 477.7566374 689.9704667 586.3671961 837.3653873 689.1078038 302.9160927 57.97725261 84.0679746 234.9313574 52.94457032 406.4770617 4.07813e-08 55.65959238 374.5691856 2678.308594 2917.896399 3104.609134 2139.209716 3014.42541 2592.906555 2966.703305 3080.510638 3354.808668 483.4605536 676.4915142 92.0151055 344.3938617 845.3082068 502.5432424 997.6474656 51.3909115 4.07813e-08 2037.293828 2349.295926 1362.525521 2980.864818 2150.30574 2551.189204 2306.447113 3018.758523 3658.139315 1646.533523 1458.800733 1887.425956 1318.039833 1872.046801 788.2269241 1699.339969 402.6865637 1832.638354 11-Deoxytetrodotoxin 4.07813e-08 4769.144537 4.07813e-08 29.74652991 149.7808591 100.1540979 51.76610857 153.6724165 203.8161873 21470.26419 15819.33375 8651.218236 25105.33204 8981.837252 13709.68605 5090.1964 14958.38873 11044.6948 162.8832614 85.99785385 96.79912582 4.07813e-08 72.55381372 170.5932397 305.0249112 198.7799783 95.59636599 12666.81848 13497.55939 11073.87344 10831.20174 16219.58818 10117.79048 14960.88517 6333.481229 9002.630711 469.5855924 30.03759998 291.2472756 4.07813e-08 329.9307559 140.2094456 466.0606975 105.5730473 365.4545817 156.8000404 4.07813e-08 94.00943121 1635.657861 1899.568278 18542.90386 330.5134734 13414.28795 80.97414423 Tyrosyl-Glutamate 5569.406078 5759.341956 3641.170353 4836.639675 5132.494099 4188.771016 5152.074877 3672.946188 2804.006408 3909.658623 2911.765005 8648.671589 5627.068083 2610.357309 5934.517505 3210.590182 3873.232414 6244.732797 7535.824982 8968.799164 7651.213553 5449.342845 9363.852937 6473.01796 9125.560061 8343.497237 7900.0253 11356.84686 5511.364503 3458.28299 9841.301315 2674.414652 6246.080199 13483.69814 4781.627371 5792.185975 14327.62477 6040.299141 6954.1377 10110.27785 3389.495709 8818.044705 6115.190737 9170.059623 8447.681457 7549.272871 6053.367326 5025.055024 8458.809438 9389.808078 7532.535242 6567.355407 8284.017625 4539.258479 4-Methylbenzyl alcohol 663.1706506 559.8429675 1448.706041 1242.332762 1278.382361 1257.946444 816.6626843 633.0486237 250.2156691 634.6621663 445.4789014 540.4531772 235.8548526 400.5365944 313.1200939 404.9476764 361.0726625 556.6872971 1322.053038 992.9106186 913.66743 1407.325375 1357.993798 1757.780611 1410.222588 1453.372414 1392.633493 456.846277 498.6487073 292.1700288 419.6014707 305.7230422 358.0037049 402.201658 603.5305866 502.2906887 1492.452511 1119.216998 1027.796558 1177.025528 1083.745583 1081.282059 1174.384897 1657.780855 1449.051351 1592.906103 391.3445217 923.1360019 581.6127662 655.4036123 657.3206452 719.5647849 340.4793613 1269.912075 ACEXAMIC ACID 1772.309682 1214.885855 1566.442767 1610.383881 1937.543355 1150.772864 1108.026306 2103.388766 2009.083325 4.816354713 51.37925385 280.142372 4.07813e-08 33.67491865 43.47694073 590.1468127 196.4611975 521.8559938 1655.286882 1498.668203 1988.54544 1487.654275 703.1022011 1782.297728 1525.161312 4536.40008 2617.145951 939.6650405 74.40091379 530.05058 385.7902357 1051.521661 477.5404187 351.251368 1162.650544 140.9804085 1123.460041 1506.511349 1823.254698 1627.33471 1141.834649 880.1264341 1609.430781 3850.183264 1779.922062 1012.046862 1057.739591 2351.137596 2234.084199 2474.317735 597.1401131 1626.888145 10.59354985 942.5580952 SB 200646 4.07813e-08 2695.816572 710.6402262 4.07813e-08 386.8889217 4.07813e-08 895.9754415 310.9976833 169.891689 16801.06208 9964.48711 10486.52293 16433.36132 4791.187314 2372.236856 2863.922224 1752.022327 6230.252757 834.5486852 348.6423937 475.4207282 832.874918 382.3752863 161.84442 242.6888098 6173.75386 338.6316952 5232.679776 8854.789113 8674.160143 5041.811432 6858.242197 6906.857096 8228.183724 2272.670914 4392.123667 4250.631901 436.239345 466.7985528 125.8917416 60.44652194 571.599493 117.0826493 3764.107394 592.069501 112.7709366 451.9763805 842.0938768 445.6064093 1455.612864 16783.58523 1142.577026 6021.351293 434.5206375 Methylpyrazine 148.8183091 510.0670502 171.7868436 33.3388507 4.07813e-08 4.07813e-08 60.67183032 252.9132496 626.874827 394.5084674 114.9782483 4.07813e-08 312.5948074 302.2096085 607.1948496 48.63360428 529.7903162 150.7241174 115.2545168 4.07813e-08 814.4246726 666.8945392 113.3023242 93.33129726 292.6252998 106.7522042 57.62297609 628.2861378 660.9850631 201.9128216 686.1491123 1236.941737 433.939537 657.7835688 1054.442098 753.333679 611.289032 337.978133 783.8776019 41.28928386 336.6900706 118.6799133 95.48370274 273.7713695 713.6656581 4.07813e-08 171.5737754 72.77004423 199.940031 863.505474 945.0456574 43.46200044 674.5478943 4.07813e-08 Paromamine 13267.68532 26713.29053 7554.51835 13842.53055 5585.203442 7743.85076 16116.98224 18992.29755 22035.23746 10361.27132 14018.35385 20086.5705 12209.79877 12735.17383 6499.302272 2902.742042 7151.932197 3044.793251 504.9972019 607.5154798 4220.964259 84.46859791 1748.068992 682.1981845 1057.537174 2011.108494 1717.788901 12742.20741 4383.242554 1690.238131 4200.529787 2111.393288 6485.940279 3420.904816 6058.224743 3699.953351 2640.09502 3684.683169 5629.188216 3532.112549 1086.348069 1471.924799 1075.671363 1603.688717 95.68819937 1023.497018 8418.315162 4693.472804 13809.28325 33881.03912 3907.599988 6373.577881 33727.92507 5650.597584 6-Dimethylaminopurine 1321.320248 1011.511838 1204.182438 827.889665 2343.973241 1636.944007 1298.155006 1562.661636 2636.475374 261.237539 42.52614975 4.07813e-08 345.8330379 207.645374 142.4600342 247.7945033 416.3676679 863.165366 1959.687516 3298.268053 3523.463297 2174.46874 2798.053149 1609.860343 1792.186612 995.9199025 4789.215143 363.1031813 203.1078655 628.8639789 665.2703185 960.678956 257.4876372 243.6074196 631.162278 325.2839848 678.3352526 1014.99539 1879.796418 2423.790033 5467.90491 2264.889842 2293.077729 1302.039552 1410.648983 4130.233721 1707.820726 1264.318506 1193.159159 491.3206275 177.9713263 1781.935713 559.1788858 2021.879545 4-O-Methylgallic acid 2857.20073 2912.681199 2950.602349 2707.845628 2552.307747 2002.005559 2271.575927 2691.118437 3101.725849 2002.438011 2188.018182 1773.782245 2039.447209 1567.910115 1579.166509 1801.418531 1701.263873 1959.866625 2387.82829 2106.669373 2315.058918 2202.982766 2251.790869 2160.384271 2409.199373 2554.039282 3040.739241 2210.943495 1963.588306 2201.619474 1768.86515 2107.454378 2120.031523 2263.110903 1868.18076 2602.822347 2525.06089 1896.069389 2134.89545 2008.487078 2317.945198 2549.268128 2692.34003 2867.432564 2541.629465 2178.630143 2385.812748 2204.509293 2675.496734 2122.872587 2067.652657 2174.528856 2400.136373 3055.089349 alpha-Ionol O-[arabinosyl-(1->6)-glucoside] 4.07813e-08 2947.426786 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 534.3435378 4.07813e-08 30335.12007 15350.36421 25511.46673 34237.03671 5076.025053 52073.33641 9007.220026 1976.196005 13818.92089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 383.3500745 4.07813e-08 31055.24236 21950.19689 3943.142637 22134.08138 6731.420358 24982.45107 132702.9609 18173.44316 17684.29691 807.6679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1238.509739 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1901.859051 18805.64039 26545.11609 4.07813e-08 12093.7853 4.07813e-08 6-N,4-diphenyl-1,4-dihydro-1,3,5-triazine-2,6-diamine 4.07813e-08 135.8735643 4.07813e-08 4.07813e-08 33.69293446 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1307.725613 66.33670003 70.80072891 868.1078858 841.598407 4919.835698 4.07813e-08 3374.387149 719.8253279 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5470.252204 2994.251287 508.4949265 4211.606197 1204.429736 5093.676707 4551.385766 3403.804125 1523.988889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 297.6957891 2566.196651 4.07813e-08 1179.493978 4.07813e-08 N-Phenylacetylaspartic acid 4563.108698 5777.51376 4620.797546 5170.39084 4450.350102 3189.65555 3057.251625 2887.300475 4570.022223 10728.67733 12967.74877 10300.87373 12680.33467 7209.482291 7510.661669 3376.911121 3000.086568 5409.109111 7097.026099 6150.676011 5621.163213 7247.154879 5499.268837 3835.100059 6939.58861 10059.16325 5929.668147 6450.135514 9809.025758 8840.514832 7700.784151 16278.02601 7601.981214 7841.949027 3078.858794 6821.833278 5934.69012 4619.461425 6017.265715 5628.661186 9625.546632 8980.289662 4427.227014 8699.46425 16241.47754 4396.065155 3801.248416 3404.413385 4391.244303 6084.589858 14573.93361 3731.861501 12775.18493 5443.755105 beta-Caryophyllene 5164.236905 4884.403965 5034.518831 5497.447157 5990.144955 4413.672445 3751.005996 4083.084146 4682.590943 3298.826482 2710.588735 2330.506339 2971.499587 3746.303061 2484.279507 4446.277385 2800.656956 2912.183264 3616.329387 4033.462464 3799.02912 3539.623812 3202.315613 3661.473331 3999.586712 4488.063515 4574.627458 2343.004343 2988.672254 3324.580965 3206.514947 3349.682501 3162.105275 2402.927086 2652.767837 3883.490262 3873.258663 3640.01541 3927.920039 2893.691135 3536.198679 3895.247073 4009.190301 5069.952 4250.469994 3703.733044 3080.674338 3326.493006 3687.627598 3858.620192 3323.920877 3679.40169 3061.123289 4912.879585 (+)-gamma-Hydroxy-L-homoarginine 2983.509351 2953.732085 2277.490952 2593.938692 2902.017587 2717.279056 2083.491784 2174.644708 2555.505134 1205.515677 1250.42924 1185.968748 688.8039008 1337.059003 937.9143316 1442.493445 1161.776289 831.2999109 2237.165276 1990.109387 2001.210591 2409.097011 1982.875133 2064.256952 2438.912247 3075.93279 2756.453204 1408.468729 1768.384825 1657.334197 1710.855416 1234.717449 1703.469138 850.8668315 962.2883839 2134.783758 1567.173372 1908.186937 2450.388961 1878.721923 2133.163252 2378.524103 2498.69083 3202.16226 2651.657232 2084.732163 1532.5221 1999.520289 1960.346751 1715.298332 1168.158499 1786.003192 1482.996188 2053.587516 Diethyl succinate 6710.334806 6246.799952 6414.916087 6274.532247 5926.255443 5415.928735 4607.911991 6111.246297 5576.971717 4114.334155 3641.020862 3209.949619 3584.454034 3359.592606 2720.20794 5471.0838 3379.422007 3319.522986 4542.099105 5039.845242 3992.403421 4570.270102 4599.78779 4436.174712 5847.214324 6167.95877 6183.88167 2333.060806 2981.64321 3670.357242 3512.357142 3712.688576 3758.672273 3534.928894 3749.574269 4090.817994 4638.797062 4544.195185 4772.549881 4091.35129 5342.491986 5868.528619 5405.03739 6343.098216 5877.223978 4790.117624 4086.117768 4458.802059 6062.505241 5895.51962 3305.294271 4184.130467 3298.013027 6145.402477 Dihydromacarpine 3396.683857 1970.26177 3067.233068 3958.991809 1918.088969 3594.511801 1719.888713 1646.102309 1963.602423 37532.9267 30160.16086 14001.0475 43430.19164 13801.41766 16605.49902 11659.8635 13838.13187 26025.96149 5739.163161 5459.81947 4562.133183 3281.222226 4676.18289 7487.733169 6620.579603 546.6619248 901.0193208 18525.75289 19972.72615 26166.92001 9067.09219 22641.42307 10262.36724 18066.16771 5613.206477 19400.46101 2295.202873 4671.317266 4493.153021 10002.45425 4765.949054 7918.3673 7262.686324 4.07813e-08 3321.316408 2226.392945 2710.689725 3136.417318 3215.820165 4855.882059 20079.86453 5811.84788 21385.59297 1927.728046 Geranylhydroquinone 5618.987787 6200.080125 14781.98751 8626.394296 11701.36605 26632.93248 17918.66002 18079.04723 16545.59458 228.5488131 313.6228459 425.7679416 308.2693751 359.3919831 922.1810228 250.9922261 905.7901919 705.655251 12403.55846 30486.60928 21543.39717 20546.06656 23005.18048 29193.99945 17150.16183 8064.080318 3138.062895 374.0923733 574.0124867 161.8676282 235.1766461 236.6755662 65.40468034 695.0718513 418.6342494 507.4381509 11461.26057 12737.15534 12215.8788 17254.39487 29819.22012 11003.66271 22410.50228 7549.565533 2464.816684 42682.78606 25958.96319 33843.86066 14259.2396 10819.26039 8623.555366 20138.99569 2413.749755 15453.17589 3,4,5-TRIMETHOXYCINNAMALDEHYDE 5424.861007 5383.481385 5213.50833 6342.943117 5576.313469 3539.270439 4864.345899 5147.129056 4149.292469 3637.186286 3833.166204 3398.225854 3640.280514 3996.051508 3270.56591 4364.648772 3444.270026 3962.551948 4089.600717 1777.779295 3108.221746 3465.210404 2504.999299 2233.944352 2943.390951 4753.298343 4321.056888 3557.225587 4360.320407 4504.601844 4945.57066 4009.766235 3697.105484 3621.243868 4146.019634 4686.60343 4255.939384 4178.217845 4018.667425 2994.867684 1215.53729 4023.414024 3356.831351 5250.217285 5125.224413 1984.142026 2615.65009 1734.041028 4207.447123 3606.212656 3285.035616 3601.308522 4604.697417 4660.545723 Zeranol 8064.375029 10068.70766 13950.88932 12409.83551 10008.53658 13609.86041 11717.19719 15162.39907 23213.41494 1244.720534 708.7703179 952.6323936 745.3571316 1514.825833 2528.2634 1120.030721 857.97164 1389.716962 4418.605982 4298.031394 8998.527105 8951.573277 5695.744165 2902.104236 7798.180184 10317.29886 7705.516368 460.5239511 781.5824951 997.7953089 1159.341494 538.9239241 452.4031077 377.5794964 1232.143868 7200.760633 10333.76516 10946.13875 9423.533824 4838.768333 13420.85033 6872.436842 4658.133168 5487.925541 4208.771541 3629.773229 6543.328904 11194.69846 11909.29691 9337.702381 347.7751 14684.32783 1416.910288 17966.92868 Gibberellin A113 7046.90788 4874.515807 4658.606306 2152.257386 4898.72295 6337.397167 10195.66078 6002.9172 3242.532716 1341.072226 405.579645 392.3818274 898.9476459 378.1975908 1116.965346 120.7614267 756.9680031 2499.180981 12996.01617 15627.63449 14421.34512 16946.38515 16431.83101 12144.03855 7819.374523 11490.46881 9641.422702 3250.252803 4387.17486 651.837111 3582.783619 4564.291053 817.0134771 3060.954967 603.4607822 678.0670508 13767.44737 11932.52175 17562.48647 13960.87677 15635.29252 12034.14711 9368.37055 15684.69866 14286.90325 9456.833554 11204.26673 11843.98355 12319.02698 9327.636303 6233.422803 12402.39185 2696.904647 10698.847 Estriol 16327.34682 4353.624458 3768.43854 14771.66511 9595.561838 20567.16703 14038.82762 28451.65382 5952.214607 549.9642462 249.016063 67.23931762 456.4912492 280.0539747 550.9978907 4.07813e-08 133.7266026 1812.649979 5789.087532 3511.249381 8067.010375 13208.40329 6341.117913 6824.255027 5924.647594 12366.91728 8799.188526 4.07813e-08 4.07813e-08 211.0701602 163.5708579 411.6350642 71.55688133 352.6074451 55.28385545 2318.572614 13104.13491 4755.839419 7463.075311 6759.861454 9889.952358 6715.038284 7009.489853 8687.837799 4447.797077 4453.613938 6533.05034 11515.71678 10989.9929 11452.75132 3143.947904 6018.68242 1194.335142 27262.72213 Ricinenic acid 8632.881864 9838.076089 13760.20223 10351.48988 14068.19613 9676.34176 6784.732223 7163.685377 6294.783477 753.4335341 1184.768267 397.0954737 881.5760989 593.9273903 582.6706444 810.3132021 930.4245815 735.8227839 7868.810976 11111.12289 13444.72927 6692.223468 12144.56034 10154.05205 5619.037104 9911.572199 7896.291627 209.1127759 610.8071801 1680.923529 593.83113 3853.465695 1250.08588 466.7933888 1805.61744 134.2315363 2730.086167 8955.64548 8295.1234 12944.36804 8667.000958 10743.22447 10581.64627 7450.986103 4221.365997 6821.340111 5932.169625 10313.35586 5288.474314 10496.8339 1179.060812 11419.8232 1238.204995 8884.765334 alpha-Santalyl acetate 3109.000177 1373.881873 1670.024831 16549.52364 2151.139024 10456.83153 7127.342254 1594.6335 4085.461141 928.4254467 166.838928 433.6576884 656.1251708 313.1849333 1190.742424 4.07813e-08 120.2165072 426.2477747 2145.767723 3430.720697 2313.49958 7803.296584 3631.39598 10969.28333 4541.701077 2679.988493 1908.160279 153.2623678 530.3054366 449.3637425 2943.188901 347.2588721 130.4444613 915.9985397 218.9697549 1892.344913 3820.030955 3175.54415 2081.401007 5924.261015 8691.4714 2944.821029 10355.33712 2737.999232 1895.507115 1537.095105 2169.662787 3045.681318 3564.729795 895.2441153 1490.58088 1341.904168 705.9396803 2330.325405 3beta-Acetoxy-4-oplopanone 4681.362522 3872.397806 5526.228625 6165.213021 4710.522379 5922.801037 5969.559745 3584.541151 3812.803742 2563.378339 2794.565968 2263.007455 2249.930289 2043.137976 2012.17237 878.9367989 2377.695208 3446.534715 6511.904388 7535.481424 6851.522819 7211.316316 7397.154641 9914.476821 5025.325225 6894.789165 5087.45657 2134.685245 2173.951081 2179.991109 2485.780318 2541.286879 1593.785072 1942.090233 2552.496051 1474.127418 5675.985733 6562.892243 5591.349483 6520.376829 7749.166804 6051.932476 9322.480598 5111.09823 7812.842558 5361.525686 5118.18577 5068.776885 3711.856357 2722.269395 2114.823918 5864.215336 2862.965694 4420.166711 10Z-nonadecenoic acid 14661.20453 12260.66126 12663.43175 12348.70493 11088.47709 9929.605122 10118.16814 12080.83335 11232.39092 9328.108251 8313.301259 9039.051669 8005.246229 8809.129447 7253.89254 10313.00516 7274.677367 9085.979085 7816.909575 8170.366206 7007.050902 7590.088799 7089.303227 6988.189889 8669.003172 10007.93675 8355.817705 7815.498025 9485.79414 9147.076562 10189.86723 8970.085895 7918.271835 8108.767436 9535.103445 9845.615936 9084.883822 8131.912645 8267.321439 7537.12116 6370.871402 7917.656081 7977.374231 9681.105861 8138.210405 8829.054751 8883.214564 8275.026201 10535.36592 9433.79141 8236.85322 8613.287484 9810.119169 10354.18852 Ethyl (2E,4E,7Z)-Decatrienoate 6202.859883 8838.033491 16046.42768 13402.18031 13598.53919 20528.96901 16442.43625 14902.74803 15412.3872 2556.048073 1895.511981 2150.569001 2116.718042 2164.962134 2240.755753 2914.462896 2581.939397 2155.523461 16778.89877 15341.29281 13590.69998 10343.98079 11101.49192 12165.5133 10977.01932 9642.930013 5371.403517 1931.062564 2169.30431 2492.921413 2467.628371 1861.527621 2921.557469 2009.159386 2236.762168 2474.188195 12893.8874 7033.950038 12005.27241 8786.713685 11832.25904 8584.93699 10234.96073 8726.289116 5015.547183 32032.34838 25869.46786 19718.85665 12425.14716 7776.194151 3179.74788 20284.31184 2918.203509 17433.58211 PS(19:0/22:4(7Z,10Z,13Z,16Z)) 10622.40645 172583.7014 447185.8439 415340.402 402513.364 533306.0758 519769.5083 445922.0321 427763.8067 88336.14854 522.5073927 158812.0119 77129.27529 171699.0945 120200.8676 69507.21287 82928.62551 142970.1976 366822.9848 370430.6572 319583.3827 304770.4566 282263.833 313452.1143 282524.1934 232412.4022 38702.18448 61918.43276 152815.7602 80928.89213 166696.1143 57444.15479 24384.08956 126844.0881 153941.9235 166153.5391 439252.3155 149415.8924 369368.7903 252860.9421 296188.5536 198884.7638 236851.6721 191127.8218 20751.99993 366560.2019 409908.4649 465832.1104 307225.0575 133725.9745 32093.71803 453581.6691 20954.26631 487116.4199 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione 5911.648317 6552.414449 5545.128287 6393.314802 6095.011424 3858.378044 4373.784662 5093.635857 5152.949425 4209.280656 3935.043765 4142.549985 4107.781644 4074.685834 3264.942043 4282.574322 3331.596636 4009.680096 3309.411879 3401.473036 3189.228503 3925.163354 3762.466854 3330.132928 3822.047765 4460.129297 5157.841875 3868.008481 4496.621692 4678.534895 4684.827959 4162.526343 3601.851009 3689.089386 4327.743661 4719.395635 4368.470367 4359.745706 4207.953835 3222.260828 2785.609015 3922.130071 3560.250393 5412.817537 4870.095045 4216.537317 3730.24649 3319.988501 4504.42651 4434.590255 3682.095118 4269.496401 4599.019362 4986.404255 Harmalan 1662.873688 2153.540619 2704.135657 2399.106275 1809.789755 1785.158293 2533.446605 1866.625597 1495.859164 1263.483076 1308.129285 1335.438521 1398.289288 1802.988521 1548.406245 2092.489419 1525.800473 1325.585602 1279.197473 1184.288286 1348.920126 1554.190712 1065.534585 1244.877584 1134.070286 1831.087871 2048.194586 1715.567543 1293.779012 1281.186531 1618.407287 1446.372352 1502.939274 1103.60697 2258.729861 1497.897874 1473.04387 1288.084767 1498.655653 1770.821058 1424.835255 1179.18047 1831.697596 1686.495788 1451.675944 1470.599917 1349.533038 1586.091779 1594.237159 1968.838856 949.4663575 1958.041177 1378.9003 2369.280272 alpha-Terpineol acetate 11645.69146 13628.57899 11958.65561 11453.18286 11337.77757 9460.992545 9292.4967 10704.37848 11747.57101 8132.508678 6939.597912 7032.302372 7889.341947 7687.132834 6076.483593 8806.106488 6928.604414 7357.81843 7326.959767 8123.547103 7925.560228 8336.594246 7200.303396 6973.299948 8479.812369 10266.89476 9022.39459 6664.381326 7761.990297 8443.063539 8872.563873 7693.966172 8033.964085 7237.723821 8111.755006 8996.313504 9551.284915 8229.60409 7678.113824 7316.359898 7865.269009 7401.407434 8290.891142 8936.059954 8995.641111 7644.341184 7417.907118 8535.836601 9158.282914 8826.79579 6723.010176 8582.382037 8729.633178 10361.11554 (E,E)-2,4-Decadienoic isobutylamide 4524.148998 3683.11084 4653.582628 5425.218935 5991.721218 3999.359192 5993.323332 5167.615571 3117.808075 2876.897924 3139.465747 1907.965222 3162.938305 3505.963063 2402.912924 3599.296336 2336.160577 4495.439671 1790.34613 3571.164879 2811.661334 2236.393032 3315.623979 1529.970578 3644.674811 2566.073265 3290.690012 2891.581978 3025.012323 5212.207955 3729.24862 3084.498943 2409.466324 2831.242723 5924.063851 4404.418846 2882.437381 2388.98656 2505.058999 3439.02125 3013.911887 2780.593934 3882.007148 2618.50725 4054.554205 3682.135941 2988.51187 3987.629264 2967.064612 2930.78244 2950.298459 1848.256386 3048.704458 2421.023348 Cortexolone 4.07813e-08 4.07813e-08 4.07813e-08 153.4727169 4.07813e-08 458.1064967 140.4911986 4.07813e-08 1912.367631 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4235.788452 7827.971083 999.3314598 1108.641677 551.9728517 2460.239344 1495.452941 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 103.864496 1668.061159 205.7042736 4.07813e-08 976.413378 4.07813e-08 712.0704288 4.07813e-08 4.07813e-08 1653.803079 6363.628664 1573.972183 166.4674898 4.07813e-08 4.07813e-08 1858.501683 4.07813e-08 4.07813e-08 Alizapride 6719.067825 9451.837941 18663.39659 15562.85679 53176.65844 14848.8124 6252.279213 5189.90312 5457.257285 8235.478074 6417.869841 3786.160509 5507.040218 4120.162828 4132.466488 5595.929178 2792.967248 4366.276249 7393.509725 8921.166207 6727.177148 10329.32272 8968.078067 7900.885761 7050.740391 10488.8443 7755.175679 3838.225669 4722.345033 7185.563768 5466.50695 5105.951352 4556.828232 3391.250895 4101.340908 4536.254526 9083.354723 6963.955448 7309.619494 6952.847884 6905.868774 9513.935477 7750.404919 8057.885444 10315.27172 5694.363749 4825.790913 5521.305419 5708.342809 6366.577909 4018.003515 6948.514376 11604.71421 6307.90921 Tricycloekasantal 5691.468304 4556.930577 7765.39351 5376.215819 5149.365601 4321.415488 4343.964713 4622.366113 4541.59571 12889.96578 13035.63009 5888.532325 11769.25181 6969.375342 4697.450733 18056.63302 9097.359948 5545.673935 4268.750466 4666.906533 3971.395161 3467.275189 3124.726284 3823.586024 3319.421195 9240.849277 4212.245566 4467.831341 6576.986875 14073.28327 5313.109493 8064.905554 9071.193723 3848.301228 13773.66136 6073.098624 3724.394763 3570.438606 3684.367553 3087.946743 2790.760401 3126.474706 3730.322611 8765.145866 4560.641834 4501.83475 5267.171248 5381.946005 3097.082076 4163.056794 3951.055931 5103.586234 10003.29038 4226.131366 OSTHOL 12155.12802 17314.13391 12387.98786 10772.09141 13845.7845 10940.05992 10571.77145 8386.381123 9948.762456 6892.885219 7366.70729 5791.351729 7378.04111 7641.469642 7093.644762 7381.614103 5569.768936 7431.019822 8318.653646 9030.753881 7641.339032 7667.335286 7216.291934 9606.552813 6841.710739 6712.125415 8484.459305 6705.689833 9367.702505 7933.186094 10329.34422 8256.976678 8350.830005 7161.694641 7374.265901 9151.367679 9614.961436 8754.89636 9081.790376 9887.282118 8044.086012 8016.931989 7894.394588 9177.74739 7439.411502 11784.85385 10532.10292 11291.21268 7592.358885 8927.399582 6509.648674 9232.880359 7431.075952 10206.08601 cis-7-Hexadecenoic Acid methyl ester 5267.602791 3946.095152 4918.692221 4229.890464 3755.498786 4276.858953 3764.145121 3937.46159 3895.23612 3154.356236 3476.623391 2545.18927 4362.609605 2844.384179 2762.057096 3268.432255 2556.01321 3175.988854 3266.528686 2875.5377 3210.274605 2567.820718 2549.152228 3158.260839 2723.660121 3974.223162 3612.155046 2371.365687 3052.19536 3215.233129 3697.779572 2607.559523 2282.773693 2672.318428 3140.055283 3219.808853 4159.030985 3237.744405 3175.749775 3118.441646 2659.9704 3014.20354 2596.05996 4539.270776 2958.319671 3335.859237 3871.39968 4012.910857 2564.239777 3126.236331 2410.268789 3690.600769 2917.681789 4693.16896 Tridecyl phloretate 444.8562956 3524.673958 6314.689596 2177.046421 2150.51633 2806.286723 1379.403256 1781.681552 7579.417411 65002.982 30159.63054 13998.60531 41459.64431 8274.456261 6149.2243 19129.45562 19861.66229 12348.84441 23978.81888 24004.60236 4549.761813 5658.66804 2039.054762 16479.16092 5923.163779 27393.23628 5309.430956 17574.67489 34872.77105 16243.60275 14577.24322 15396.01383 21702.66662 6639.434765 29080.29351 6842.296234 2627.869259 9917.018159 3300.542183 1676.005632 3860.359599 654.6243171 9598.672888 18024.60876 13370.04008 15874.18091 20656.35132 5063.075741 341.7674664 389.7381191 7276.894 5441.200564 25993.95086 4114.620158 Vaccenic acid 20702.08408 19362.40448 20217.48914 19729.16476 18197.34812 15211.21094 15873.79795 18305.78091 19302.74969 46785.67479 28507.06023 13150.69896 29325.51246 29576.60085 11046.44921 30667.79647 21325.49601 41872.94281 13460.1824 13675.99001 14708.95153 13508.23933 12779.65018 12116.35316 13926.63834 17898.22822 15976.20974 11962.98515 14714.74295 18319.34478 20964.49816 13095.62808 12811.50651 11609.16665 17266.78638 27883.06195 15149.4575 14106.86782 13150.34589 12075.31288 12192.76102 12208.30164 13578.18146 15677.91408 14817.24405 16566.82356 15065.79179 13301.90604 14929.98387 15374.79206 12257.63201 14625.1286 44533.04166 20175.98925 TG(10:0/13:0/8:0) 1247.144831 1461.81556 2379.499228 1843.985772 1381.686588 1438.128378 1533.708011 703.6467274 941.5341645 35716.00243 54333.79269 863.255393 9566.169346 32158.89788 1118.052953 192594.0901 2638.291091 1378.897054 892.2068824 1157.466305 1276.422449 963.9125094 872.3561326 1170.379936 629.5416277 1153.205836 841.9782267 758.2234791 1000.359113 3595.332453 972.4225061 1187.627578 818.7003146 692.0272078 1252.772218 15683.50439 1479.277366 1146.453996 1271.701249 922.968451 750.0900447 821.2723607 809.6575674 1326.618322 1063.978882 1301.701254 989.1309973 1253.418026 756.396045 1058.354439 564.1966937 1070.310749 13437.6409 1533.022412 2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- 254589.6616 246900.8155 243095.5976 239064.3926 243150.6295 208553.1604 221845.5585 228119.5314 228155.7783 162474.7995 152713.3774 149102.9462 157083.384 169929.9786 138413.0663 194650.1879 149250.2363 168846.3826 162782.6677 166597.9128 159172.4014 170099.9265 161987.2032 167340.0133 186335.8404 205924.0463 192448.6459 140511.4533 166642.0175 186129.3094 186551.9686 168690.8973 166599.3184 142152.3344 175806.514 186047.021 198715.8881 176033.1355 178633.6117 161129.6071 154264.8341 165781.1598 170456.0375 204380.1495 183134.8526 203236.2934 190096.1207 184891.2063 193779.2843 183151.7661 144202.8255 184997.1481 188655.353 218347.3335 PA(O-20:0/0:0) 85735.70675 100404.7368 102043.4192 99597.71458 103500.088 106970.5846 108308.3147 59384.57179 73544.55279 60591.07667 57211.94137 64455.11478 68207.6626 88555.10406 72880.30665 57118.733 44704.79274 58391.08002 68502.21045 66932.18812 70199.67571 75286.65216 76147.47588 87005.97183 59716.39202 67746.49657 71424.72142 55763.73996 69843.34316 83241.53911 90585.67852 80023.00258 49259.33551 47231.71616 61609.9733 68990.45493 76123.77478 79988.37741 77819.228 77571.52206 46713.43702 53087.62831 59791.82852 72810.02823 70677.94287 93045.62368 92284.68986 85773.8167 61797.30305 58579.63066 49138.87101 67263.65427 75976.03291 84563.11703 Ethyladipic acid 437.2319439 565.1789282 806.3942146 600.8515835 629.3681859 361.4710253 720.3755969 538.1708941 606.7944754 500.7529412 412.5465531 445.4415223 457.0116395 495.0342696 377.7570497 432.3883941 390.4901797 165.2664018 586.8184825 594.1934353 386.7926296 621.6653062 603.0068706 471.6438388 704.1492571 823.6799121 786.5470239 413.8151967 539.9441243 598.7292733 323.632239 373.6244761 529.0461042 496.3343685 415.2893795 542.087169 373.2696745 631.6839748 623.3591908 648.2956007 485.9100651 768.0961619 554.2723129 694.9374411 689.7221528 576.2542018 709.1157022 532.1418616 617.1527287 572.7410251 486.9272726 646.5824673 759.5440907 563.741355 2-Phenyl-1,3-propanediyl monocarbamate 3800.930647 6887.339152 4463.832352 3012.786849 2381.226174 3325.192734 3069.598265 3864.348997 4182.855713 3081.778138 2380.478691 2278.502348 4977.980434 1336.42471 1596.135733 2061.435464 1597.386599 2663.239526 3065.373818 2992.236506 5059.605856 2937.68809 2480.226914 3007.276732 5525.143053 5124.880719 3889.932068 2745.782737 2514.828511 2539.644822 2573.742342 2528.694587 3376.018313 3179.311712 1882.584214 3376.011464 3332.812409 3330.055842 4366.804527 3665.69924 3385.945483 3499.909721 3572.65241 5250.718428 3941.87334 3496.957473 3134.447239 3131.292313 3964.631102 4856.38634 2901.902493 3997.136837 3897.363768 3684.315234 2-Diethylaminoethanol 2150.494599 2354.543857 2305.334722 2369.841744 2321.600913 2091.273362 1719.16547 1698.158531 1940.880226 1413.495181 1465.233887 1517.905518 1550.306328 1511.078923 1125.273583 1406.903155 1101.45088 1514.093081 1231.530556 1392.939712 1466.692292 1396.081162 1506.944865 1291.829287 1546.7103 1950.095081 1566.846444 1294.175029 1441.507502 1691.823408 1409.157278 1158.786116 1254.061445 1156.780396 1601.699486 1642.73776 1940.488715 1589.042706 1712.083791 1571.473577 1165.025865 1195.62463 1527.140196 2085.664588 1957.801081 1887.064195 1760.26837 1835.386039 1327.598013 1431.598227 1194.283704 1767.249547 1718.828468 2068.975556 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate 6377.308163 6953.842025 5887.798505 5835.848186 5762.166743 5309.67831 4946.141031 5475.180742 5637.362918 3274.929169 3592.846262 3600.929652 3751.866449 3460.094731 2625.374879 4641.023264 3931.164334 3808.043905 4310.08183 4846.133802 4158.426456 4491.837646 3793.879303 3698.001965 5504.191755 5161.719756 5099.480057 2908.031111 3678.885506 3829.852535 3253.664276 3284.648723 4238.561977 3711.4082 4016.498786 4209.37167 4744.166011 3871.921562 3975.150845 3259.277819 4403.611875 4757.317117 4532.924431 6060.429201 5407.286093 4779.358176 4420.46131 4093.789737 5386.356984 5220.413654 3476.758319 5216.10865 5053.000768 5496.656108 Hypoglycin B 9135.214237 6640.381251 8044.331348 9963.844035 9012.517416 8920.684695 9231.742686 7974.703965 4762.210909 4901.838764 4432.980927 2494.968653 5321.853052 2720.228827 3275.261622 1307.041469 2738.108219 3989.051671 12032.38944 12573.13831 10399.11081 10499.2245 14457.47946 13353.64806 12408.44143 17619.67989 15734.31971 3431.396048 3340.646723 3790.314594 2549.318381 5821.221617 3405.934776 5020.685936 966.6947558 2522.767286 12432.22255 11695.46461 10435.60629 12525.57794 11382.57043 14618.09848 11615.9598 16312.18912 19023.38798 9859.108828 7928.54464 9093.74913 7554.67114 8441.875229 6712.522788 9472.786407 3822.731639 9007.863728 trans-alpha-octenoic acid 1203.396489 852.3050957 1332.634119 1161.761363 1202.180428 1263.462945 1869.872025 2389.129496 1582.745623 112.1051736 198.0600221 246.1333957 207.1875802 108.4376661 370.4724986 4.07813e-08 114.1955745 364.0691266 2303.718263 1995.305011 1956.251887 1767.243325 2277.555862 2316.653427 1999.878106 2446.811249 2417.367773 267.4880044 222.5860855 237.2795656 176.4324048 191.7860613 351.433073 367.7714973 69.09182018 229.4133056 1443.675319 1799.859248 1922.079481 2070.077942 1759.475324 1813.674376 2488.287455 2878.456965 2596.93967 2097.85205 1263.215228 1553.800357 1402.163945 1250.794722 330.5998916 1377.740079 252.635482 1712.934567 N-Nitrosodi-n-propylamine 923.2644041 908.9548712 1036.728066 645.8702053 836.5038785 644.8277026 615.2558764 681.2751158 830.2193996 525.6998226 650.6577773 510.3347615 484.7584625 504.2832887 444.9976861 675.7959295 497.3859173 530.4756012 461.7552819 497.687253 484.4799432 485.5210778 472.2263322 503.8979404 575.337068 769.1313273 577.1450355 513.2310133 546.1647998 564.1271248 628.1917171 390.1203392 484.8979694 451.640693 574.8398378 651.1318505 686.8377573 570.8319565 569.4733137 468.8687313 537.5824731 535.7836913 554.0703228 584.4015073 574.550846 657.4824129 630.8918682 568.8875277 569.3850467 742.7980272 429.9432949 593.4722178 664.5642311 669.3251035 6-Methoxy-2(3H)-benzoxazolone 4260.7248 3340.933997 4272.46514 3721.445674 4304.644963 3862.886605 3799.189567 4090.55205 3788.348563 1625.602308 1547.379319 1442.237202 1806.765137 1055.546924 1149.24257 417.1591309 524.8220144 1244.041384 7637.967751 7692.908354 6589.50791 6751.568113 7694.118917 7324.126169 6628.834486 7790.277531 8134.590087 1714.63698 1772.269737 1437.021663 1452.11563 2472.317675 1587.543088 2280.132452 593.6548446 796.712325 5083.668662 6434.315299 6121.808021 6709.818458 6531.477796 7276.180679 6306.904199 8899.938222 9189.193527 6974.220416 5855.089604 5810.58639 4395.123045 4169.21616 2280.508651 5500.203295 1839.536882 5264.501316 N(6)-[(Indol-3-yl)acetyl]-L-lysine 2762.575095 2945.483987 2775.233946 2502.790201 2726.044868 2542.421534 1795.849686 1360.532593 1775.675514 978.2133445 1551.106088 2668.765613 1160.378284 1680.920728 3680.758134 2280.789581 1679.705073 2585.081457 6132.264542 2173.617255 9320.56887 2823.785244 2670.27506 1403.086444 2701.133472 1710.83521 2130.971635 4203.194254 2443.208349 5395.35572 4144.509346 4815.596153 4689.73706 6786.079189 3202.875762 4076.70747 4196.046757 3725.729815 8978.852495 3946.150911 2099.906696 2722.580369 1446.461271 2523.884957 3480.800007 1722.836827 2164.580055 3627.031509 6828.82863 6940.914111 5063.140108 4411.247609 3694.362768 1820.218576 4'-Methylacetophenone 924.4690368 759.7964967 1034.636099 716.8544498 969.2768764 910.5340702 1033.196412 893.6504145 2475.767107 445.4202145 195.9682728 447.5808176 331.8733562 301.3536779 142.8239963 381.2864009 342.4256805 384.4712042 976.5245672 780.4922065 855.3894559 851.1711964 722.9171541 1612.299339 1067.123256 1044.016054 932.5786319 292.6047793 467.4805352 381.4871391 661.4487991 137.3014681 407.8033149 440.9988406 480.4117355 466.4370363 841.6858157 1015.745646 846.6209215 764.9557803 874.4770268 562.9228317 1821.158509 801.9522581 918.331863 905.8320691 890.3118706 904.9489144 739.3328866 813.3374695 321.5858479 862.763239 270.1818298 836.0362317 5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-ethylbarbituric acid 3859.543031 5468.534713 8799.061315 12551.90181 12007.24524 7247.777249 3858.098384 2071.811516 1671.199969 2267.990658 2680.235109 7062.679073 2986.966379 5824.694996 2866.210858 3985.47233 1214.250108 1139.703402 9343.630746 7334.906657 8330.688639 7820.428183 5414.452486 4441.413675 7515.932179 8383.51009 6887.748726 3397.207751 3264.807478 6250.77224 2486.052632 5406.399824 5590.99843 4086.819164 2803.379261 4293.314543 6508.169526 5990.087502 7055.787277 7506.422659 7122.855566 9543.704727 3041.086048 7939.923268 8687.327711 5549.004342 5302.292438 5608.164411 6166.798063 6060.326859 4436.088864 6811.929076 3368.054931 4074.282789 2,6-nonadienal 336.7641319 248.3624806 182.4445435 318.6359566 169.9642875 156.3000585 163.8484683 122.6822442 257.7273814 78.58464592 4.07813e-08 87.6269359 50.39241742 40.9777235 59.05919446 4.07813e-08 65.88007381 171.0957424 218.0183914 141.6740629 205.7165502 216.30878 144.1870407 286.8098765 922.8117357 176.7252399 197.6967766 84.42144626 54.12250986 83.23824503 81.79272755 76.11561903 92.22513573 99.97312251 118.1089861 168.1809418 183.2870509 210.1542417 238.4294008 229.2275056 128.36287 224.4885443 202.1806936 313.4073973 83.55628067 147.641923 145.2417204 167.5900688 265.5636338 310.3739156 80.92725363 245.7814772 141.2759591 248.5391091 Tenuazonic acid 5394.18493 5155.074317 4888.369717 2850.168654 3398.533706 3356.79778 4333.780374 5581.085422 5399.682749 2320.25386 1651.176656 1091.161501 2245.381543 775.2650269 1369.59211 501.8795571 1114.874586 2031.244177 11136.98795 10289.89046 9026.849058 8381.348652 10176.14323 10466.48845 9764.61084 12990.6265 11694.35482 2447.355634 2552.312354 1054.401824 2121.337366 2715.970116 1587.667847 2776.472307 962.6838332 919.7035054 7033.917363 8686.915546 8571.571987 9845.154173 9077.739555 9848.224729 9682.94862 12164.88158 13242.54357 7491.927826 6698.530889 8131.437089 7159.049557 7539.966377 2809.425475 7860.405223 2351.063288 7332.296886 6,7-Dimethoxyisoquinoline 1178.329107 478.0533627 968.7173321 706.7370483 750.4625488 1267.617341 1161.404376 1375.40459 905.6875962 4.07813e-08 35.81701419 4.07813e-08 4.07813e-08 39.68348998 108.7190694 43.32535853 4.07813e-08 44.9368618 2629.869698 2644.413928 2208.505291 2040.493258 2152.986199 3258.68934 2279.751287 2640.87676 3411.137174 243.24793 80.85376347 4.07813e-08 153.1981532 133.0202471 4.07813e-08 155.4633296 4.07813e-08 48.0940667 1207.943404 1695.212935 1799.35803 1861.661235 2196.437491 2275.379295 3025.300383 2684.131871 2729.057104 2422.769382 1532.557149 1815.959524 1651.417639 1418.261516 96.89397709 1969.352192 176.1408043 2290.164058 Menadione 5245.978224 2096.120924 1696.596071 1331.10359 2289.491968 6848.047241 1914.399889 1646.761699 2921.448626 4.07813e-08 40.51128979 64.69997243 24.7531403 159.7009727 4.07813e-08 32.51088207 35.09614777 48.76119377 1286.464653 1383.361813 3016.102525 2601.761876 2660.58393 2770.499444 1399.164161 957.5231317 2014.537571 93.49229957 4.07813e-08 4.07813e-08 89.05273026 155.4656885 105.32926 118.3532579 39.84683609 139.1098075 5761.64878 3005.842675 3027.709697 1381.722867 1701.487407 1706.186686 2982.035252 805.2628209 725.4233206 1385.791963 2837.542927 2741.552111 3521.656223 6820.240133 96.10088434 3483.681765 274.2784436 5402.415141 (Ac)2-L-Lys-D-Ala-D-Ala 4306.839846 11795.75246 1341.665208 2592.572606 272.2539453 708.9855324 3654.952548 10501.6145 10507.76038 6080.533756 4290.063735 4710.735755 4575.689507 681.0899429 15016.25889 659.4055556 4083.224364 4140.454821 172.7848762 903.604078 1054.232199 121.5800167 82.45976319 4.07813e-08 506.7564818 126.3198123 151.9251133 13254.6504 8008.202328 1045.117707 7356.621541 8719.859456 4279.913876 11873.18463 6918.887926 915.2409703 7272.105248 848.7103858 2559.327034 437.3839318 4.07813e-08 209.4595487 4.07813e-08 411.311054 44.8480875 14.805712 577.3213356 1925.777936 6000.149773 12218.08323 13091.0726 3177.846031 9229.979435 696.7475055 Ethyl (2E,6Z)-dodecadienoate 19986.21576 20153.97842 19688.70706 18475.43025 18988.02677 15859.51253 14669.16338 17960.76199 18017.80143 11855.59682 11676.94956 11197.81217 11358.35904 12207.46432 10004.46563 15697.8513 11301.78249 12572.30534 12854.41122 12705.95395 11824.03058 12353.39515 10975.0775 11411.11529 14350.70405 15787.11904 14451.86183 10018.32438 13052.89199 13096.28074 12665.72397 11204.07621 12640.34507 11289.21029 13446.63677 14614.16017 14208.05422 12350.17041 12529.05617 11343.62893 11597.23722 12468.90193 13813.44722 15733.53433 14599.49946 14084.5598 13554.37741 12944.93555 14401.37542 14509.6777 10713.70269 14928.89037 15611.03908 17042.85537 6-(3,3-dimethyloxirane-2-carbonyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 62214.52651 61419.58507 56276.64349 56768.89856 52229.15386 41810.8385 41411.18457 61014.83894 58126.0189 37003.67634 34761.12624 36660.10192 34182.42271 35427.14216 25882.22232 52594.25026 39489.5665 43201.58234 39501.4303 38843.6963 34103.66478 33598.80541 30244.38772 29972.27815 47313.18417 50767.1142 45192.22564 32186.96888 36002.66148 38737.23644 35253.10978 30615.06534 42138.9601 37719.49763 43936.21977 43063.57621 43103.20202 35334.7971 33522.18275 30615.14561 40231.56887 41841.84495 44227.66447 45913.06017 42943.25856 40214.44036 38209.01823 35160.4484 49692.27906 46378.1087 35428.17841 45607.42727 44913.82723 53036.41926 p-Methoxycinnamic acid ethyl ester 6760.293514 3771.217011 8219.548942 7117.902127 9427.863748 7094.165349 7213.764671 7841.160397 5347.003642 182.9181344 4.07813e-08 79.41369727 101.5455479 172.3680769 4.07813e-08 4.07813e-08 4.07813e-08 76.07800865 14756.31558 16504.43493 5747.816731 13405.4041 18111.15226 18627.21196 14870.78497 20046.27242 23133.5669 121.4851765 4.07813e-08 4.07813e-08 101.7940654 161.6291352 4.07813e-08 442.2250939 93.30917526 4.07813e-08 9647.326688 11625.41625 6666.130111 13260.97179 16494.69494 15538.70996 17047.5167 20112.28128 24492.27271 13003.25157 10723.0609 10011.78753 7561.524126 5448.336469 45.69543276 10063.17811 4.07813e-08 11656.02252 Hydroxy-lacosamide 944.2969482 1005.207366 2232.517118 2782.145407 3262.615718 2157.204283 1549.986624 722.7588784 107.8806614 715.2500711 116.4797928 958.6091249 717.9151879 1044.531877 401.2639332 4.07813e-08 239.2750354 1420.33975 10805.52773 10549.4188 7741.449997 7376.027292 9851.360972 9630.210618 7819.880409 11462.37586 9674.494439 471.9597918 1033.50495 649.3149915 279.8250366 1297.076389 365.4580289 1308.499608 403.8638641 594.5107891 3974.362676 7995.001887 5820.050396 6591.543425 7984.096654 8144.433783 8719.740999 10256.10303 14191.86099 5858.696617 5064.6221 6060.512366 4945.517999 4007.881887 2679.542514 5418.906279 364.8107884 7771.631522 Norfluoxetine glucuronide 6513.210526 5393.058766 12050.72231 24892.14891 27974.15137 20191.16602 9486.618754 13018.46693 11431.03732 2452.136072 3078.819749 1534.096167 2383.733422 2556.2555 1267.043802 1807.301791 801.3012571 3570.923793 4377.235044 6512.673499 2312.122696 587.3554165 9177.024767 3325.062098 8099.895251 691.4660906 8693.312936 858.2115452 1874.958922 2899.665206 351.6529471 1643.201998 2094.641931 2933.16761 199.0753752 4033.966767 1861.270139 1979.11362 4481.164512 8882.600692 4236.721253 9414.416431 4241.638196 527.0993369 4.07813e-08 9783.646021 2988.057391 9864.623995 16685.68441 22370.56967 970.57732 14768.17637 4.07813e-08 11629.64219 Kukoamine A 123354.8646 201389.4394 89290.31304 106036.0421 25219.62525 46440.49849 88623.48972 85271.55912 125508.0992 4.07813e-08 4.07813e-08 1.624918022 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56952.81187 19996.52865 128920.9028 71978.10044 5862.662807 55655.84991 32474.08926 19392.14112 4470.908169 4.07813e-08 0.000908044 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.817617991 4.07813e-08 316099.9821 129471.6149 156386.5171 27698.05261 33487.4534 9864.509583 40581.89874 23034.55855 208.2633103 4.07813e-08 15153.30444 63420.20753 60161.07868 134876.7502 4.07813e-08 51859.55132 4.07813e-08 2849.791131 Mexacarbate 4433.278281 4361.333771 5246.920804 4376.749186 5078.550917 4110.127073 4486.063088 3523.760199 3652.852991 482.2974202 1075.367181 402.8452614 876.6644991 602.932789 836.022833 479.3585279 56.15278613 579.3234921 10559.92773 9464.57483 8207.347552 9221.986884 9171.084118 9371.091214 8831.530061 12816.49855 11281.89639 787.5474004 1099.549497 911.7693343 1001.088323 1485.467966 1109.875161 969.0698236 282.7198465 867.1408513 7936.598241 7943.140568 7890.48551 10403.84484 9284.567351 9065.855162 8445.55469 13147.26949 14363.80662 9311.583246 6569.850519 6928.31939 5787.230784 6430.915442 1298.150307 7013.317257 1204.779024 8218.046785 Tyrosyl-Gamma-glutamate 2604.859276 1401.849298 2508.452932 896.9189175 2148.529747 2582.098997 3456.436012 2341.723565 1879.251102 158.9668313 529.5407515 265.1276122 612.9758786 235.1853954 212.3344929 59.97056267 96.62551639 215.3468202 16594.39705 14662.03847 13959.9223 12846.63461 16217.1066 16322.33797 14975.09632 18936.38616 18127.81435 694.8091674 349.8617591 399.5467702 403.3794517 1412.022299 449.4515282 818.4441447 119.4478261 283.2075001 11743.34937 13164.89566 12692.04271 12010.98378 15155.83215 15859.70177 13425.93016 18746.22048 21261.91171 9561.002349 8845.749272 10727.93773 9533.985963 7126.372074 1049.146691 10896.84919 439.3723315 11914.56449 PC(3:0/3:0) 1374.136713 14969.32901 338.4796665 1942.131026 240.0211923 2277.869197 3735.995764 4594.30519 8255.911345 60069.17778 56129.31566 39826.45722 70628.21696 35973.70093 36609.76419 27384.05099 37537.95801 46845.83204 1113.152803 627.5033503 921.9051715 587.4444489 391.5210078 63.21328866 489.4139298 2717.839112 1461.79202 37044.5482 49414.74927 49824.2687 35195.4948 53742.41413 39609.44513 43833.12468 23267.91816 36539.38354 2334.701006 1316.695596 1778.097298 1106.069181 823.5833066 308.715413 467.6933779 2805.261978 516.1240926 2689.189135 700.0552191 1235.734575 3245.95169 11362.14488 67401.16744 3258.397149 55305.50189 1964.211721 Gamma-glutamyl-Phenylalanine 6572.80446 8910.516703 4692.448326 6238.949171 5458.584493 3900.028509 6428.819056 6280.418701 5976.160672 7283.993134 9146.835144 3610.92135 7074.781471 1640.601941 9706.333041 14158.13182 4467.84188 2033.073435 6551.654346 7774.378083 4547.104279 5131.366805 6849.845758 6080.011603 6700.362849 7093.664518 6789.623302 3446.061958 6618.227689 1419.481075 8583.075853 1433.218006 4988.609591 10099.10444 7540.664633 5677.040121 5183.526715 6453.871116 5236.02564 6475.50988 6105.717918 6890.428419 6128.528751 7265.738676 7540.848331 4467.485608 5001.959086 4422.290306 5460.808484 9045.453424 2023.598485 4047.671475 4305.207099 5497.419002 9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione 1037.738263 947.6456814 646.890503 637.1680473 353.8763981 836.6766946 249.6018493 2245.167344 4406.097447 180.1368182 509.7686286 1185.649302 249.8371084 775.033076 2016.65923 1219.411039 4888.290169 1160.786756 1189.997898 1746.12176 496.0627273 583.5981167 190.7555455 924.8315167 927.2930359 223.9172482 554.1676215 843.8826798 1347.80086 1538.616166 872.1518344 1817.533637 526.1301744 652.5257535 5625.87412 455.6526141 224.0937929 432.4132044 1348.512479 709.461749 237.3927322 4.07813e-08 1180.405973 1027.026916 679.1937887 470.2540134 1122.993151 334.2178057 655.3191241 932.7839348 661.566168 568.1326227 1297.621876 1055.903995 3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3S-hydroxybutanoate 22229.97762 17634.99568 13403.92017 15702.83354 12299.18214 13909.08126 17434.60042 17816.73606 17072.81373 15042.05214 18709.86482 15060.46857 19875.68836 14513.24241 11018.8919 5774.472928 15860.62832 14075.27042 32549.2238 39143.70152 25171.87255 23914.83706 22659.44241 35510.54045 27307.67728 27356.27794 22361.33925 11275.47278 17338.28822 14649.58105 8543.062126 28993.31848 10294.69404 10804.25047 4611.59661 8982.396582 16616.82325 28907.20765 18996.32565 22978.99896 28284.82839 21971.91795 27480.12391 23092.76757 38147.30389 21595.43307 23049.13738 15869.33913 16056.69388 16046.8347 16159.35628 17904.22817 17924.27478 26004.35689 Erbstatin Analog 68.38347591 479.565819 48.33310913 453.6359703 418.4674896 352.7835755 355.0633725 99.67147917 218.2792588 2151.65061 5756.452322 1544.716567 1945.412865 1702.606647 1404.673299 2564.787087 5280.826359 2289.489291 227.4611119 4.07813e-08 166.4201191 423.4949142 44.45915391 58.7543735 221.9305919 4.07813e-08 66.35091616 3025.321337 1457.678684 7410.681451 1245.060546 4882.157446 5568.874934 2833.374244 4462.235809 2384.39108 947.6227342 153.5324009 302.8268368 4.07813e-08 157.2043579 228.7783263 58.68067836 121.7862174 165.8165533 219.9180365 125.7713075 217.9484578 205.1101782 168.4269572 2427.39916 132.8077578 4048.075101 309.0500625 N-Hydroxy-L-tyrosine 4710.659991 3525.47091 3833.749882 3209.566059 4677.694892 3387.718864 7225.618242 5803.196686 3858.727104 342.9497569 507.9304298 232.3234316 761.1230325 707.7064714 290.8674446 650.6997384 517.5178149 1257.661669 3457.328618 10747.90834 1629.694344 4333.031749 13062.99333 16671.38814 10664.85699 3845.231193 7025.59769 431.8294935 818.0043883 689.9400501 63.77644506 1694.946605 1392.977928 579.3018548 55.0990076 375.5838627 5457.121333 5854.091038 2085.536114 4043.953324 5341.663373 7940.291255 17184.91476 4114.213764 6027.246182 10256.89188 7992.806183 3849.378664 3115.553791 1780.499655 996.5373227 3870.405327 351.0779487 10781.38622 9,12-dioxo-dodecanoic acid 7864.379137 5734.898168 6573.549653 5786.86666 5786.925254 7049.544849 10757.44145 7083.505671 5148.242146 6442.503773 9963.064115 7250.713 5021.811567 6695.44189 3668.496492 4825.570327 6468.677184 5339.224328 4936.762225 11474.96385 5339.178713 6852.364283 12711.93038 14841.47747 11370.34063 7006.77481 9137.165392 8286.892497 5211.779943 6712.291332 10959.62996 10725.2071 5268.088717 5001.431045 5105.042982 5850.774314 10449.8998 7077.041409 3001.045661 5312.39978 7034.785793 8216.602349 14672.68739 5720.247943 7956.074292 8972.880239 7407.074494 4236.552264 3999.502696 3903.877366 4882.52249 3747.320546 14797.47113 11916.49063 3,4,5-trihydroxy-6-[(2Z)-3-oxo-2-(phenylmethylidene)propoxy]oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7710.992373 8462.398304 8688.759839 5633.787238 9722.882875 4656.333519 5356.359336 4346.624814 15260.49604 4.07813e-08 4.07813e-08 138.7122487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5244.512008 4577.147617 11404.22608 3814.645755 8647.816168 7189.876998 4875.326046 5195.432794 7210.448687 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 149.4666516 4.07813e-08 28.99474383 282.4379407 7391.017504 4.07813e-08 5021.475544 4.07813e-08 Deoxyribose triphosphate 4.07813e-08 1939.101881 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 945.4471652 7498.134394 7318.73994 7240.723662 28603.25715 18922.31478 693.9601898 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15176.57727 4.07813e-08 4.07813e-08 105.4559192 4.07813e-08 8016.784827 4.07813e-08 4.07813e-08 150.3524072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3867.171007 1108.345989 3458.912659 9286.476104 5031.70581 442.52954 67891.6766 5022.493705 N-(3-hydroxy-decanoyl)-homoserine lactone 1516.148734 405.3362521 999.7494793 1021.842688 1479.868108 373.5809208 930.0457997 1148.047879 587.1141286 110.8910124 4.07813e-08 4.07813e-08 4.07813e-08 117.2193461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2953.728618 1346.550494 1410.960934 1273.358144 2799.173601 1162.593541 1501.481985 1559.327126 1251.301356 4.07813e-08 4.07813e-08 111.0680215 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1429.531129 1097.946075 1207.051923 1873.722081 2043.251562 2109.072211 598.6901553 896.0866958 3606.752777 380.0727759 618.1896561 1090.585021 558.6429309 853.5966161 4.07813e-08 1530.460412 4.07813e-08 1060.734909 n-Butyl-2-cyanoacrylate 721.942899 1097.010453 280.2558057 740.5036274 531.0752828 910.7711907 1134.182962 833.6272957 1958.345744 288.2166314 84.44303284 40.45279127 224.7298567 63.64928454 139.5075309 146.5049168 200.0010666 261.8305858 4.07813e-08 54.98303662 458.9087902 188.1526231 43.59617027 138.7384509 85.96663815 350.8823995 547.3084724 140.9452519 185.9847911 103.7671877 146.2636466 153.8499321 160.5104987 141.2274258 196.9756987 153.2130543 254.2163958 52.11830251 296.5095167 307.0236199 91.09977632 204.9710937 46.16066893 185.6262038 56.08870215 88.11811774 530.2633697 493.5933325 248.821893 1405.860075 35.66882929 246.2740718 330.3465036 74.48970425 Desmosine 2527.321531 17560.97006 633.2135129 846.8535193 993.2791145 783.2566476 4657.290438 4841.405207 8586.897167 53728.18159 48455.03106 41311.92547 53901.69599 54409.95906 53772.17788 37475.48987 68361.91904 64439.16732 1704.021488 1053.982635 8.09693088 869.3414112 449.0650605 4.07813e-08 190.6667818 1290.616839 303.1125279 55057.32743 63967.29939 67732.5361 48320.68165 78101.91349 38953.48226 49733.08943 42461.92405 46673.44764 4219.790789 4564.373034 596.7982719 576.7543028 509.7649175 1130.120648 350.835567 1849.645837 229.8449863 805.3975889 1485.080983 6277.859277 9282.622515 12739.97818 66073.98608 3041.900214 46975.3614 1651.825745 Latanoprost (free acid)-d4 1813.042004 3120.501884 1381.976426 3837.050804 1387.753933 3179.503219 4614.073823 11624.18635 11729.15906 6218.153633 7865.076496 4910.197182 6998.318934 3987.613511 23531.09409 12913.15737 31577.6886 7981.068338 587.5159743 955.6694507 1912.422188 4.07813e-08 1121.881476 959.7232769 886.987091 2829.246539 853.8284834 6766.998031 9794.030398 1185.203338 8785.419269 3077.493978 8016.791616 11310.19679 28392.01473 10343.64163 1083.936077 605.37496 1100.08881 914.256572 891.3901695 439.0333252 1158.469259 591.2424157 844.4278609 393.827044 3108.105508 1591.014754 1593.11235 5951.789289 5473.911911 3212.531847 3928.696103 849.517494 Uridine monophosphate (UMP) 2665.201594 2686.183429 2379.813556 2238.146945 2756.838388 2660.277402 1648.747379 2429.526914 2962.509654 641.2635706 759.9264253 759.3123857 398.9224722 1399.205084 339.5579382 707.6897158 2417.12193 1329.874112 4174.127001 5316.465487 3655.278623 4170.412199 3578.872294 3905.023772 2701.647913 3458.46265 4284.366208 624.8828365 1644.502153 2106.600181 882.9067194 1962.140199 286.5884943 830.4697312 1379.110759 2004.082747 2590.364872 3744.125411 3748.250756 2713.663217 3950.726099 4249.925087 4090.622516 3752.517407 3685.922675 6085.670496 3923.900532 4010.326512 2989.465217 3083.619843 1695.155944 3460.089101 712.3829405 3409.256404 3-Hydroxy-7-acetylaminonitrazepam 897.0131935 689.7740634 1808.445794 1300.712146 2318.024736 1126.529872 1994.713599 631.7005914 742.607773 723.6288572 1568.296781 1264.491122 821.6683139 964.2368279 1095.799206 963.820065 646.9129489 712.065819 7721.054869 6194.740177 6259.245186 5717.884078 7001.932407 5957.81834 5858.75547 6576.481216 6060.596019 1649.216051 1185.762067 1471.152631 1587.224612 2279.986713 1549.194225 1237.043218 699.5283769 1405.742916 5022.417732 5457.235467 5159.167264 5821.29346 6315.223493 7645.139636 6237.934035 5801.053268 8624.863119 5852.640458 4906.849342 4628.732378 3119.045347 3370.628643 2092.802278 5297.918013 1074.426898 5133.572878 Allyl valerate 637.4476739 661.170074 938.463058 523.8936437 1021.204609 348.2822454 639.7690002 599.3162136 144.0128086 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37.97414895 4.07813e-08 4.07813e-08 4.07813e-08 738.2310426 848.2816455 1502.69096 455.899365 320.1931975 507.4423339 1687.3496 310.7833282 306.6270452 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36.60420507 4.07813e-08 4.07813e-08 4.07813e-08 539.3951856 652.3044889 521.6539853 774.010285 463.1305784 323.6909805 582.4266318 414.6229804 560.4071945 433.332182 217.6908476 505.1277606 310.3872733 408.4856406 4.07813e-08 422.6577408 4.07813e-08 391.5920247 trans-p-Menthane-1,7,8-triol 8-glucoside 7352.576935 14773.88931 5327.592628 20245.46767 13539.32933 3747.621914 6764.203967 14308.89871 4191.067807 1393.447526 3563.269518 1950.408586 1436.936659 2849.399606 3602.138631 1585.340243 1031.954435 1165.429521 8450.72703 6923.561642 19035.00579 23312.21493 26244.19685 4983.363076 9049.563991 9313.977851 3654.076241 1099.559909 1690.752112 1115.888588 1012.335736 3002.728358 1740.707747 1280.192679 2169.471822 2783.9901 13532.92269 15430.19394 16079.17574 11744.68686 25541.11635 30656.404 2716.39486 8171.664259 19311.37076 3709.151686 3142.762757 7116.486057 13919.61609 14363.18831 1246.379427 5197.796228 1148.51364 6663.14455 Canescein 4.07813e-08 1479.713306 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15120.52843 20505.56333 26167.3745 14400.19352 8402.257511 19175.26311 11349.7359 6464.932491 7416.795362 4.07813e-08 48.48680081 42.96365267 4.07813e-08 4.07813e-08 4.07813e-08 325.9337716 324.047559 354.4060227 15772.72808 20510.0545 8727.584676 10747.22224 3422.028103 14267.86427 27756.53215 10240.06192 6844.123006 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5266.491937 19966.22155 4.07813e-08 11091.8624 4.07813e-08 8-Hydroxyluteolin 8-glucoside 3'-sulfate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59812.06628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86286.36271 129864.1779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80838.70984 4.07813e-08 65676.11268 4.07813e-08 83928.79465 47522.45476 4.07813e-08 71172.46915 4791.967375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 914.938164 4.07813e-08 14310.53224 4.07813e-08 Normeperidine 7869.366424 5333.577049 8871.779335 8205.39123 9449.603511 8993.971519 7173.643894 7202.901597 5210.520727 4.07813e-08 509.9961323 407.8409427 247.7178584 453.0646103 133.3559581 499.8193641 473.1381295 809.9368991 13483.8689 16279.76039 8473.094548 10342.68863 13685.77343 15435.26664 11880.76068 17866.27659 18381.45399 669.9549881 148.782041 820.6662672 224.0449801 1019.243274 530.5246102 332.52231 212.8048408 922.5921445 9259.879554 11049.32815 8102.883709 12713.65265 12109.02436 13205.32383 14913.97186 16228.22799 20103.17501 14455.47722 9891.335371 9680.116963 7912.752398 6644.490704 521.7663881 9029.75473 754.0844288 12803.07874 1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoserine 2297.379768 6165.194358 734.7208337 2122.297121 3.407163398 1346.087057 2672.701289 4492.69789 3722.303937 28349.6631 43238.36819 54774.0005 22137.19021 9646.89533 81032.20811 34974.90555 20483.18437 17841.94155 1093.751747 4036.163368 1534.573374 952.558777 1956.801199 2791.120194 1931.251016 886.2536618 889.8720002 14812.54386 64645.94645 16057.6157 29133.36052 26099.23671 47958.75381 74952.45446 22356.9155 18855.07088 1492.834128 3390.883455 1145.184186 1802.011289 2559.962641 1947.482822 3229.832994 2524.88241 3568.975506 1945.073381 817.8447602 2278.345017 699.9307361 3661.030298 24933.31428 245.0878596 5824.154165 809.6819905 Cappariloside B 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13088.66722 4145.541931 5910.045152 12589.55427 7890.013301 5533.791388 23658.0349 28886.36549 1929.195102 150.1003887 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39259.47324 5322.051711 13270.95826 8325.628441 16752.43009 18194.28603 14211.96923 35253.73257 27663.11542 178.9494353 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 160.3678496 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7606.387886 4.07813e-08 2916.10307 4.07813e-08 Cilazprilat 4316.436618 8061.024123 2826.240902 3391.25108 1989.522978 5361.379471 2528.951529 7707.667056 15299.54506 3495.669377 3067.416976 3932.993055 3629.608736 8409.647835 3971.333399 2231.622674 6048.495024 5191.622784 6812.111003 8322.705122 6162.618785 5418.276373 9407.145248 8347.216226 7704.182248 7664.02782 8131.952712 5187.230647 4782.52465 7557.639806 5190.393854 7554.796385 4676.856676 3545.673244 7131.906446 11838.71951 5649.642494 6247.915705 5170.385853 5641.200136 5881.017184 9833.613916 6003.139473 5671.16706 10885.57457 4707.290377 8700.20345 6350.276168 11872.11789 8848.52772 5703.011278 4316.38702 5230.990696 6333.837414 Rishitin 8558.24809 6547.738098 9158.421877 7864.342902 7588.915798 4172.857821 4986.349452 7380.6282 11625.06711 2718.450131 2218.828557 2667.41744 2410.005795 2794.871364 2228.975027 3177.291084 2431.815965 2683.246161 4579.504469 5482.373685 8153.033255 5702.880685 2832.747764 3002.617851 19531.91426 29598.87261 10744.27521 2018.933924 2485.220617 2738.703184 3109.28015 2521.31794 2531.898999 1559.286807 7701.508914 3032.49029 7288.128053 8806.317194 10140.42211 8197.464523 4427.757414 4028.369144 3728.544262 32331.46716 24936.73589 3340.432497 3052.73439 3539.808978 5695.124612 5546.334718 2065.643721 4528.046485 3056.203478 5236.456123 Kalkitoxin thioamide alcohol 1077.369481 1991.603262 392.180592 910.3730535 600.9389923 1357.576819 1133.082498 1709.311803 3729.562982 7492.496307 10481.59827 6977.495719 9184.662577 4961.842502 5690.34638 5475.841567 5731.62589 4317.385454 93.07125968 112.3234051 823.5238462 412.6649401 275.2421696 652.6175782 503.6817497 426.6904097 394.2009145 6692.179046 7672.668568 5660.940468 6161.007425 8798.172247 8343.276527 11938.74561 12516.06199 3890.75903 1427.834312 134.8312238 653.9077164 515.779757 559.1771045 1379.050495 927.3926258 216.5692244 417.1992417 542.6959563 1591.959577 303.1666142 1402.246817 3104.854026 6977.059221 648.1556078 13877.9492 489.4440944 Plakortic acid 1959.109779 2167.409207 2826.715837 2202.865721 2099.742598 2144.883289 1817.345842 2031.260272 1068.908894 1780.117193 816.922018 1105.657409 1483.199182 1085.916843 1375.7706 2111.080688 1147.656839 1699.381364 1956.434469 1786.560183 1329.759107 1735.081639 2123.617869 2643.027516 1901.829606 2314.976302 1579.401763 454.9507199 1012.956381 945.9691001 1115.874662 1410.906169 645.0150344 448.5769435 1422.645166 1097.802227 2020.113853 2150.84492 1171.425963 637.0201401 1464.47875 2237.253845 2425.982684 1515.280369 2400.058586 2559.581244 1520.169211 1937.016294 914.1521879 381.9404822 399.0967646 2190.984308 904.5192769 2312.507151 MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) 1608.458813 1634.096332 1597.893346 3433.491553 2763.900732 1905.217018 3230.295151 1648.113088 1546.819586 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1380.843393 3772.453053 883.4388715 5285.816943 3155.775401 3073.506389 3092.108813 1018.90533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3147.661217 2868.073561 1531.398539 1798.66333 5189.440254 2263.116962 3265.272504 1350.536954 3630.947263 6774.075734 9616.597996 2151.639971 1019.256009 1802.931163 4.07813e-08 1551.396282 4.07813e-08 2113.109782 2-Heptyl-4-hydroxyquinoline-N-oxide 2028.399282 974.3328364 1749.239634 668.7183175 1658.00505 2022.092344 1876.886165 1828.646561 1349.874464 4.07813e-08 4.07813e-08 4.07813e-08 74.58392243 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3171.404588 2739.708842 708.9005428 2811.092844 3580.757342 3739.682233 3437.828588 3546.732253 3301.187106 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2075.643811 1937.686263 748.6434187 3032.832829 3189.73864 3066.160744 3212.548411 3348.125455 4489.419719 2101.941479 1588.298064 1443.194829 1007.242588 552.4425074 4.07813e-08 1638.754002 4.07813e-08 2004.726922 N3'-Acetylneomycin 58703.24702 161990.1589 33745.01235 59010.22519 7209.310497 22179.15433 58795.46434 30083.78395 26939.68523 418235.8384 355196.3976 162211.1967 441854.4632 144228.0207 99191.81069 33115.70149 114076.5385 86631.92954 483.4750226 7486.387877 1673.355076 6372.436981 3559.033487 5035.380882 4034.870677 5404.440742 6057.834509 109710.5489 225005.9234 59617.55033 46532.46641 126261.2855 113983.4099 67977.04797 57580.49471 19880.30522 53366.15937 23235.72778 13013.1069 3210.742345 2151.063396 2419.689314 6119.061034 6213.657316 3789.199053 7678.758407 12062.36866 5992.929382 8034.606171 29090.6776 63138.01339 1772.432066 120341.1974 8997.248464 SALSOLIDINE 904.2673839 319.4954486 507.4881951 811.6347579 549.9281418 703.0774671 944.0604126 556.6495224 368.4886665 637.4281196 553.9252623 517.4920356 682.7990636 754.856733 931.9784916 1165.381533 826.131767 1122.770878 1942.387175 1597.135444 1882.931995 1840.410158 1246.028658 1191.17004 1206.835384 2666.201012 1989.822114 2838.123836 1384.125053 1289.10301 1568.06216 1260.100542 1488.930814 1229.703324 2094.978833 1082.189266 2294.681924 1707.592502 1673.945492 2112.7049 2108.120331 1464.466348 589.6426135 2730.212858 1672.136737 1165.813653 1097.410162 2010.316201 1714.136525 1367.416992 1185.12089 2247.207781 1400.327238 1106.069879 2,3-Pentylone isomer 6132.554274 4782.615156 6957.310027 5563.396772 6313.871605 6225.169779 5837.306132 8985.126428 5248.693389 3209.498108 2494.389605 1070.737975 2639.441207 1117.232294 1403.397801 1290.081229 2008.738808 3158.550509 11567.40235 10973.81299 11603.95582 14141.39207 13429.26837 10724.06196 12708.55345 15963.0459 15235.33771 4145.01716 3539.189897 2561.359943 4090.249819 4743.91076 2966.465731 6747.458967 1438.990383 2463.964768 10605.33816 8684.069963 10977.31429 11406.89619 10768.97921 11756.48834 9124.534356 15097.17424 13866.86236 9366.01007 7070.732589 9870.205169 8606.645646 8925.195334 5699.477791 9936.834561 5775.633477 7569.923273 (E)-3,7-Dimethyl-2,6-octadienyl formate 1774.150403 2109.660263 1864.325121 1693.779102 2568.381782 3024.286305 2234.639214 1817.691833 1997.103764 4.07813e-08 3.911846674 201.6724623 4.07813e-08 181.946203 4.07813e-08 139.8467614 4.07813e-08 63.30539622 3370.56329 2650.918256 2985.577915 2615.53971 3669.05895 4527.109165 3647.308315 2763.073391 5458.907264 4.07813e-08 4.07813e-08 2.447656443 4.07813e-08 59.54807731 4.07813e-08 64.19533233 136.5869931 95.54369588 1435.834268 2410.412156 3027.824467 4594.900979 3504.467879 3606.949361 4636.962654 2357.389473 4719.476962 2009.560151 1334.392798 2266.839683 1499.586573 860.2347822 56.21632453 1610.222845 4.07813e-08 1471.882598 (2E)-N-(4-amino-2,3-dihydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enimidic acid 90710.10392 52548.28833 75296.9763 76215.04883 99480.23091 92892.2014 124049.7415 103183.604 67540.92565 7054.553165 7855.801449 5650.903053 6106.493263 7444.367138 6996.442678 7786.046802 6350.203681 9338.229691 99060.29563 205586.2527 28416.8428 75145.36435 208047.6753 228532.5191 166605.8882 71579.04041 198182.7785 4039.564461 6359.400423 6972.476023 6270.226406 7138.896904 8666.801151 6006.749084 4287.544056 7788.337075 86233.44274 116376.4697 38248.26198 77308.57186 101045.6749 149975.0713 231455.6381 74483.12987 115961.4795 167709.4169 128526.7239 81621.59374 42599.49815 26120.45789 6052.063958 72246.83141 6919.465804 171513.9923 5-Methyl-2-phenyl-2-hexenal 420.3361783 234.9744136 341.7759945 484.1517075 161.4138053 464.2726351 1076.501452 61.79144147 357.1324671 1517.748275 562.2617503 174.903777 848.8592767 246.4191082 1935.397619 1143.734638 266.2891291 610.063007 384.0374519 428.8390059 459.3121799 369.9735806 614.8869602 248.2536245 409.2911936 221.3506263 349.9645058 417.4940375 420.824228 862.2896384 2037.053729 797.7287678 1649.563275 3330.046555 4.07813e-08 2234.721044 421.0134975 616.3775283 374.7278391 216.4787189 404.0585235 459.8329266 395.1210721 179.562293 682.988847 379.6629072 487.1663911 409.889479 689.8599358 664.934198 1321.272283 258.0162998 1317.717339 970.9740989 2-Aminobenzoic acid 429.776664 252.2307164 378.4262229 249.8924927 301.3630002 346.3010825 482.386737 464.6861639 338.2376298 391.3365942 920.2874195 326.0757674 262.7120127 778.3127215 271.4871844 728.7652241 229.6745329 496.3606844 193.6601589 88.24747926 153.7145767 330.3337893 132.9672392 210.4303361 271.7663179 274.2020592 122.430761 49.74942849 381.6652743 651.9872898 255.5888611 461.1630292 404.6199945 281.5497955 318.6874745 352.1226473 450.7751874 77.54534567 294.1787028 116.184807 119.7987822 352.2409257 82.84612313 334.568036 310.2690939 236.4071669 273.6243816 172.7095699 242.2550385 72.90720286 241.2149746 250.9745183 449.1375559 321.7087797 Diatretin 2 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1003.614059 5051.663317 711.9639006 327.8592893 3404.870731 249.0229301 2235.000415 338.6072574 1668.120659 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 768.1849725 2614.493847 59.57551833 1203.825226 221.9257715 4.07813e-08 50.93385536 538.875112 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 311.5243191 4.07813e-08 796.6220106 4.07813e-08 Furfuryl isovalerate 12676.87849 9184.852003 11583.87326 10951.09772 11237.68066 10323.67636 9136.854986 9034.75425 9350.399856 4772.377979 4825.723996 4755.722998 4606.138209 4853.264833 3661.325766 5937.125632 4580.670101 5422.012038 11250.73875 11072.82808 8783.124157 9388.71583 8331.125757 10424.52337 10057.74925 8471.923442 10030.61887 4077.309204 4815.72908 5045.540021 4968.902061 4324.694168 5381.726778 5009.502525 5400.730892 5200.07663 10473.63839 11021.672 9263.984241 8187.902709 10126.90499 10596.78949 10727.69361 10645.97021 8417.75026 11563.65964 11135.30947 11934.0926 9832.639809 9717.881272 5004.201356 10370.79033 5554.038914 12658.69591 DHAP(10:0) 2327.308273 1381.767947 2794.253964 1937.126762 2756.374108 2180.838219 3383.910636 4786.77766 4216.75819 286.2923264 448.8280132 4.07813e-08 443.6910846 111.9142867 282.3808003 112.6371286 620.4057899 1164.274884 6970.014692 6362.176323 5543.034132 6793.50164 7911.899474 6778.39647 7207.99693 4881.827062 8244.742642 725.7599767 1008.296251 231.3374258 429.2567696 625.4322298 527.9399753 335.2476184 4.07813e-08 204.6701004 3928.918404 5650.408436 4224.359285 5766.864806 7451.90432 8251.352267 5940.725543 6276.134808 7336.27126 5569.358167 4521.759122 4814.485506 4194.808871 3334.112583 979.5424517 5884.106976 689.3092797 5625.281979 BMPN-benzoic acid 4.07813e-08 319.8291748 407.3182597 916.1664415 1149.219033 701.8565144 564.2383658 4.07813e-08 4.07813e-08 0.625731437 4.07813e-08 181.2638406 4.07813e-08 478.9339675 326.6406445 4.07813e-08 0.224214202 4.07813e-08 1593.582105 1555.91325 1412.663725 1202.733545 1199.52419 1563.819861 1379.938821 2220.479707 2098.840039 193.1245234 185.1162265 191.6489966 316.52608 361.7656166 502.6186857 530.7037905 217.7287555 211.0658603 1230.695669 1597.561254 1475.30873 1601.808168 1848.783134 1812.566336 1420.821584 1737.942107 3014.065495 1321.643767 860.3317965 909.3337559 1250.915677 588.0608517 532.2003758 1340.110629 202.3422826 1179.770292 5-Ketoeicosatetraenoic acid 485.4081163 8.54841723 4.07813e-08 939.3204071 1143.821842 281.0652242 1549.053487 521.0432313 195.0420058 467.0083422 87.00457005 206.1485762 125.7883957 4.07813e-08 155.0875052 219.9015583 4.07813e-08 141.7064812 1471.207591 3814.150859 1233.392484 865.529077 4152.314752 4359.505517 2884.832178 2531.591634 4892.937178 226.790899 450.7360267 258.193071 4.07813e-08 23.5740867 387.7329622 258.2000127 166.7448839 290.982158 1610.921736 1769.045614 195.4043837 2224.174932 2280.278047 1948.530295 3267.844229 2917.973789 2793.39613 2593.381097 1679.085961 829.4894521 329.670039 4.07813e-08 284.5288189 831.2591348 129.2565858 2063.75141 2,4-Di-tert-butylphenol 495.2582242 331.1207565 961.2173229 776.3780834 1084.421489 251.1747917 4.07813e-08 2050.358805 1357.477408 4.07813e-08 44.32465857 4.07813e-08 4.07813e-08 41.87293989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1134.537124 377.5030657 1772.703159 968.1439836 4.07813e-08 64.51770595 291.0749763 1110.982497 2190.306767 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54.63598408 4.07813e-08 4.07813e-08 4.07813e-08 255.200214 478.9868089 813.0360225 702.4256039 876.0819545 220.0489374 4.07813e-08 1245.295842 2467.116382 4.07813e-08 110.688486 4.07813e-08 781.659248 350.1709425 4.07813e-08 656.7537076 4.07813e-08 68.85437047 3,4-Dihydroxymandelonitrile 1916.991751 2005.830897 1546.275732 1441.605715 1336.413358 1147.614827 1188.511738 1040.765157 1103.945305 865.4690271 618.9103457 702.9197558 430.6133227 859.7842796 417.9561706 1072.997788 804.1491036 689.980512 945.1108143 796.5379618 1032.348564 1132.212388 927.2966101 531.4495988 961.6146737 816.5387388 938.0773611 486.2899761 513.4764985 794.6056714 726.8299491 447.9119603 582.3297197 744.8028457 825.4316383 512.961711 1186.275282 802.2108767 1058.293315 889.917321 975.1144575 987.4447312 627.2354887 893.4969514 817.451861 874.5251613 708.6867345 961.1144013 1444.469087 1196.888796 686.3337487 670.5067336 735.3007022 1207.889935 N-Isobutyl-2,4,8-decatrienamide 2151.766812 1525.008225 1411.850372 1078.525292 1017.635258 1612.404457 1162.046211 973.200592 1335.963627 657.0704283 533.0645237 238.5402395 704.1249248 293.1132397 323.0080177 134.3129037 444.4460119 378.5642433 1394.110091 1480.188768 1249.809884 1347.20118 1283.655876 1679.958424 1506.567515 1674.273198 1668.650305 362.9772009 364.8083012 364.2770642 334.3765973 428.501658 369.2100688 342.6526789 278.5838779 253.1432882 1170.126251 1411.812749 960.0181788 1348.130986 1570.832431 1565.702676 1629.630334 1395.978445 2085.824437 1136.020658 828.5746796 1063.948576 826.1884353 817.5382931 490.9486458 1016.706096 300.2908302 999.9628854 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-Propionic Acid 3218.209948 1746.427876 1628.412642 2756.108975 2153.769163 2033.585689 1578.199806 1218.046404 1941.357172 61.91605762 166.5890566 212.2670232 106.0131617 189.0285242 45.12580809 59.3385325 108.6151653 296.9352663 3248.265601 3215.861118 3282.210504 3058.499347 3703.942264 3003.475196 2419.225658 2500.426022 2694.529494 4.07813e-08 134.5948159 242.2323388 52.11110247 209.21827 50.90265102 103.8480819 108.3820591 182.0776872 1816.303917 1645.836334 2149.845755 4515.619152 3895.935813 2608.451652 3709.803219 2287.177464 1509.20499 1548.906491 1568.562923 1648.014045 1907.752334 1469.472339 4.07813e-08 2137.704396 81.86321645 2450.099897 N-lactoyl-Tryptophan 356.5108117 501.3073722 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1069.73402 102.0311763 418.905257 4523.99238 4701.226042 2881.698688 4378.224407 2748.138577 5291.700079 1764.931379 1185.382213 2404.000424 4.07813e-08 181.1655361 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 180.8499028 4.07813e-08 2470.392516 3080.954628 2805.221343 1833.26274 3329.841015 3829.380706 2705.634344 2173.735921 1937.149427 795.0547204 481.2264405 4.07813e-08 4.07813e-08 4.07813e-08 78.12370314 4.07813e-08 4.07813e-08 4.07813e-08 160.7955424 72.60612405 138.7999943 331.4087173 423.9401021 1844.097172 4.07813e-08 1711.464116 4.07813e-08 N6,N6-Dimethyladenosine 93.76206345 4.07813e-08 507.5997273 173.1843865 1155.715895 587.6851609 592.5206813 89.18915759 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.21050654 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1417.278742 1290.844619 754.4448016 998.4883629 1603.81744 1934.965235 1868.563734 1763.836058 1607.442031 503.0220732 4.07813e-08 59.85487965 89.46966409 4.07813e-08 1367.247465 4.07813e-08 95.03876264 4.07813e-08 188.7414022 735.4017553 608.5623212 1331.596323 1020.005025 1167.641088 1562.302966 1069.069013 1623.042126 1175.661173 966.5785021 1295.849491 578.3635306 348.6807544 4.07813e-08 1334.092443 0.083052689 1013.796552 Dimethylallyltryptophan 12253.19036 18226.49993 19075.38395 25884.77723 21170.7084 16966.00621 16591.27938 12085.2384 12015.78462 3373.583094 9014.290165 11371.9912 3255.36454 10482.5787 3900.851242 8311.285473 2729.353884 5471.971647 13335.43327 15273.71921 12683.56912 12264.60873 14137.46433 14557.87923 13891.3762 14248.45972 15419.34357 3021.154533 2595.178674 4953.126414 2999.969323 4086.604817 10304.05407 3243.45675 5018.752994 4508.109143 9894.07945 11188.07533 11987.44892 12454.52958 14005.64795 14242.96632 14978.22953 13952.36839 17676.48269 9637.509846 7871.054692 8665.303891 7468.517725 7842.703212 3488.388911 9428.31081 2252.261547 9718.052297 14,19-Dihydroaspidospermatine 1264.928723 1462.145587 848.9930038 1468.707874 406.2175281 1320.17996 3616.30359 3529.704182 2197.029329 3.714673275 8.057337293 266.6853554 144.993284 4.07813e-08 304.3784754 84.1255753 407.114894 229.1463412 6619.612225 3910.736789 3728.183837 4708.840691 4732.250507 5643.979458 5648.669157 5469.065257 8927.356272 3.702275687 987.0031121 57.31193082 611.9780988 453.3025849 18.95003696 429.5024039 97.54877013 13.50357279 7620.08829 4381.831212 5043.479259 5721.029458 5748.099664 5535.642782 6507.075054 7229.421005 4526.047437 6485.163445 4371.555029 6946.947508 6362.272314 4486.03262 1017.872469 6800.048908 4.07813e-08 7767.285225 GRAYANOTOXIN I 42757.96372 33203.61781 40148.79838 36635.94409 37841.69638 30629.11344 32562.25077 32209.92066 31366.41425 11614.40471 10789.81584 12014.55998 10145.56013 11873.85125 9480.330544 5201.837126 5956.107194 9881.974251 47377.03 47681.09468 43856.30947 43211.45636 37930.2168 43140.04716 47619.09547 60060.06485 53296.174 13897.8035 16428.41692 13584.32828 17645.49148 16931.7312 13718.22876 14116.54433 7675.710684 8974.340861 43478.84161 46733.77842 44870.03958 43732.91449 40380.77761 40684.22704 41106.49261 61657.46017 68432.26962 45253.69169 39425.52561 41218.59573 38863.83629 35017.57132 15597.08493 44298.23445 13828.92229 44115.65501 QUIPAZINE 1451.593098 1167.403997 923.537955 681.0571753 581.6758752 809.711102 1065.418167 2004.673732 1497.731856 37.21875529 46.23632524 4.07813e-08 4.07813e-08 4.07813e-08 65.35218976 4.07813e-08 42.75480604 126.8147821 1367.12773 1105.048469 927.2805509 1313.693087 1129.831407 1535.695575 1523.048285 1487.577163 1621.23658 153.1211773 44.14003475 4.07813e-08 320.6007832 244.6842092 241.232783 568.4447698 209.1859469 4.07813e-08 1881.654907 1575.889704 1570.770629 1243.015752 1274.024433 1370.923991 1587.593693 1668.957266 2133.670987 849.1342463 419.2173081 1358.810652 1398.748966 1370.092548 374.2199901 1741.407823 4.07813e-08 1206.396254 Canavalmine 1494.604971 1698.485851 2199.40356 1800.052335 1694.794638 2441.748081 1763.768132 1950.333234 2135.250474 197.2830098 325.2847927 448.534282 362.4004439 51.17375105 88.93954832 318.8874496 182.0423073 449.8056479 1634.708865 2713.188783 1576.582301 1807.58264 1544.173475 4780.625541 2105.424093 3313.700553 2825.121524 292.9142469 277.7709562 162.057952 317.8205077 4.07813e-08 302.2469528 362.529281 429.6548291 363.8229005 1123.723909 2330.865399 1646.968426 1558.162619 1427.365597 2202.211965 3924.877441 3662.820515 2393.70525 1921.127646 1734.905654 1857.805366 1552.248318 2309.65075 82.11396762 1768.577093 376.6842619 1870.428737 12-trans-Hydroxy juvenile hormone III 3876.573285 13603.77771 3404.230308 3924.280077 2691.922871 4036.988425 4514.541396 2258.801776 2450.554135 902.0105519 714.1313071 906.9804999 755.1560771 1344.252618 866.4299375 1172.045973 723.7916729 1174.642876 4361.59951 4471.13454 4016.155814 5246.166289 4497.521917 4324.322512 6210.558078 2097.932681 1778.921924 797.5443944 1035.757239 1582.791993 1634.045797 435.2277309 1002.193521 1231.688902 1097.184459 1240.144677 3921.488835 5246.12117 4444.339486 2571.429461 4275.860258 5903.816089 4099.115325 2384.835345 1955.025613 2711.914103 3310.649591 4472.285463 2875.509753 2431.062853 1009.921728 3366.93058 1568.441822 2190.347897 Limonin 4.07813e-08 638.901347 403.9446446 253.063094 69.12782017 4.07813e-08 410.9359446 710.3688044 1041.366661 4532.394801 1882.111636 8706.075144 3134.366408 1889.005248 10209.0766 2967.936615 3921.91174 509.5575608 4.07813e-08 724.9508176 764.3814992 165.2224019 4.07813e-08 139.8237667 4.07813e-08 283.4626154 51.94013398 4933.915632 3081.183033 1251.236954 3065.382373 1969.70521 2651.757886 2540.598475 5161.847101 1672.963985 204.461046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 217.6555835 170.6278777 4.07813e-08 157.3169029 4.07813e-08 893.8660924 3134.888478 4886.399297 4.07813e-08 5531.929092 4.07813e-08 Toxol 631.658031 1598.828353 594.6655395 734.1164317 815.9817589 531.1415123 1677.279105 1599.589217 726.3327709 692.2458017 1358.637361 339.1241105 742.7321824 448.3735887 1437.601 2744.280494 903.4738934 628.2406303 1031.074519 921.4475401 763.123535 1370.221174 1407.614355 1097.958452 1275.952715 830.6572273 1119.078635 1322.773689 302.7803799 1742.598067 1467.028971 1810.691446 2131.827297 1497.400213 570.9229678 1094.757028 768.9388147 961.2934133 537.088008 1117.536175 575.6238379 1159.842115 859.0995206 834.6324463 911.3956145 711.9431252 1029.518634 1084.248476 1383.82159 1414.994592 719.0408125 1165.011737 1676.720425 1623.59141 Liquoric acid 13139.63263 1245.082934 15725.88691 1425.88234 3465.94669 2794.31153 968.2982421 1664.865921 997.3454229 7787.827772 6696.270437 1910.900884 6104.288386 1473.766933 3986.165461 1737.10659 3652.721546 906.0900316 3773.81081 3708.632715 7297.10636 3885.213868 4478.960619 3264.471751 3426.737607 44564.02143 9545.082556 1368.940647 3037.484373 1081.849322 973.6173772 1271.159783 1184.503088 1962.720906 2958.353331 615.529742 2710.414558 3931.43414 2367.499725 2882.807535 3564.517303 4655.247355 2390.910228 20807.69146 7620.061471 2416.38508 2232.216711 3907.095454 2878.40272 4893.206872 2335.855185 4008.561673 2298.891034 3865.010501 decoquinate 21403.80679 21522.84436 24296.88482 24188.94728 30579.00427 21881.66298 18727.15489 10605.23099 10435.02763 23075.81877 20560.45284 15235.37437 21617.20906 13620.48536 22958.54173 8379.336031 4.07813e-08 4668.257092 44299.67521 41985.15941 31278.36845 42320.45184 28422.32893 32360.64845 37626.51903 49085.49586 37317.88205 274.3784404 17175.11311 16759.711 15372.06289 25459.03699 25664.36345 21997.61774 17990.15764 14068.3676 31807.91859 27309.6093 27682.19667 28102.79649 40983.35946 34900.35211 25051.52116 46501.9297 49089.74826 24902.89178 28143.70945 26373.51432 20253.93193 25060.92768 25038.07406 25821.26295 24696.85656 27545.57791 Cannabisativine 20512.68114 11491.0973 7861.442101 9099.995853 4251.719485 10683.44835 17351.0302 31387.96135 62137.47697 18731.80329 22194.50403 14394.8911 16243.11476 23433.77705 13507.1265 8341.941024 4352.381102 43364.73536 14149.9449 10284.32773 3206.340232 5467.512108 1822.722149 9587.733283 7677.655591 9255.267473 9844.98462 4.07813e-08 11068.86121 12819.96833 5669.309106 25371.3387 10922.02204 5334.922651 3181.208919 5766.013936 3989.341484 12608.12045 3323.902825 625.5606532 2550.873736 1407.976169 7190.43158 10745.23059 3996.98256 8264.971259 15634.89665 11028.33402 3038.966531 1989.733545 11953.40754 6852.055 10211.14738 11929.28467 3-(1,2-dihydroxybutyl)-7-hydroxy-1H-isochromen-1-one 4.07813e-08 1184.989141 208.2831979 670.154706 125.8180482 66.87751805 796.2073444 962.9265076 94.25772434 1274.808559 806.6148672 3004.410011 1048.412255 4384.866603 987.7296107 3345.330593 4.07813e-08 2349.609712 4.07813e-08 61.26756503 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1735.838313 5322.440981 2541.131344 4002.423441 3816.807732 973.3951949 236.2999833 5265.024444 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 397.3581122 746.8012219 3667.425542 213.4964129 1137.481204 395.6979093 Diphenylhydantoic acid 1755.601509 1530.175206 1925.827125 2460.825291 1893.818147 1527.116927 2212.028743 1683.153875 2061.841914 840.7632957 692.5327157 585.9990101 708.4333257 531.7189518 363.4838726 289.1304713 4.07813e-08 600.8441924 2957.020259 2951.423458 2528.134223 2888.742392 2384.708466 2587.208448 2027.810315 2776.710867 2470.882689 4.07813e-08 798.7728593 897.1471753 460.0383539 1038.556901 737.8168501 498.2526999 4.07813e-08 585.8260052 1937.809202 2145.318869 1842.160866 2122.81424 2457.173562 2472.239651 2310.612916 2613.632513 3140.688033 2429.126561 1362.508667 2224.991963 1834.499857 951.9945936 768.092379 1474.383262 888.1734974 1786.674717 Sphingofungin D 27723.08221 27689.81546 31854.7724 35403.09353 42839.68452 34732.38109 30904.93728 18831.76667 22417.1565 9673.562996 9582.988683 8217.201689 12159.21891 7815.874332 8029.199875 2478.765792 3998.877277 5228.0465 37338.75586 36219.93937 39616.88047 37206.10341 43385.16043 37642.44889 33747.34738 38799.91797 40345.81678 3295.807842 10950.54814 16056.01615 6318.308115 16153.30127 10504.26548 7598.070294 3530.274833 12017.38205 23557.03914 30704.53571 29711.90649 40066.02989 35583.66202 40256.36058 34610.0064 35729.90203 49071.09464 39286.73686 33121.17456 34016.26303 26624.48464 23713.1102 13343.93495 26381.2368 11322.57876 31667.61032 (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide 3237.197186 2273.369177 8339.613627 8531.313606 14790.74524 15340.73132 9540.453203 8230.032442 8663.749464 393.9934856 186.7886618 776.039853 640.2092125 1210.798894 506.661479 133.8554001 146.6095946 609.1725528 3854.765393 3125.726602 6177.454821 6741.522443 4387.512702 8868.852825 3539.687307 4140.787959 5860.417465 4.07813e-08 446.4836597 651.9004135 256.6667702 519.041889 529.3695632 723.9975733 308.9334781 898.1850603 3743.755459 2958.461351 6538.635822 9633.490226 7070.980694 5247.702495 8447.522923 4300.690518 3760.482367 4277.460085 3251.078705 4356.357164 3685.204352 3784.845249 1119.308417 7207.541915 1567.55534 11323.31477 Lapachol 1084.824419 372.2353553 798.2971283 756.8737313 1021.433567 1215.318837 1377.574919 1074.096396 716.2268539 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1142.157409 2306.61801 4.07813e-08 884.7461831 1678.015985 2432.044621 1514.281188 1205.709368 1816.37682 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 982.0877503 966.061965 431.6987379 800.4562112 1343.835193 1539.207776 2154.941897 912.8972487 923.6943983 2095.075372 1843.358276 1254.855322 674.2632027 55.69807438 4.07813e-08 1029.896201 4.07813e-08 2376.918883 (-)-Fusicoplagin A 85140.29828 85719.12335 72070.74315 73007.48238 85404.18041 81489.4071 83632.21747 73131.16448 82258.36595 46808.00705 40877.35012 25740.35219 50403.4834 31696.78715 39978.20575 8390.827124 18743.07179 35754.71014 132813.6219 134412.886 116829.5826 113421.9851 131205.075 121419.9304 103589.6956 129483.8138 134406.9219 23748.99434 45692.46928 31569.3907 30784.45746 60803.50432 30719.02984 41305.67685 25137.91299 25695.5448 92677.70434 118711.7246 104019.8967 121755.7505 108065.7139 116227.5927 102128.94 131550.3072 167934.4456 114577.8007 113791.8871 103663.8321 84579.81795 71948.68868 54605.42458 90899.42169 37305.3943 100302.9302 Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate 13004.21812 10906.98282 17722.72554 16988.32904 21412.78625 14158.24989 11862.53802 11180.83384 11666.66329 21802.79179 779.5142884 7096.390706 25507.81786 6833.147551 27085.57709 419.8212022 2193.437904 65578.10264 14218.1977 14836.65798 11795.37799 14511.09945 14590.41535 13959.06719 13399.17048 12126.72732 18151.44685 2298.364291 6836.164127 4284.562266 5195.896687 3840.439006 4984.519836 11097.77817 1610.047545 25866.89993 8934.665652 13627.23405 10101.89969 17857.66238 16469.43359 14038.29617 13671.06333 10477.46652 19342.39579 16692.2278 10350.39526 10411.1873 9347.004964 6216.863907 12408.08903 7049.426194 4777.547403 12850.55437 S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloctanoyl)-5,5-dimethyloxazolidin-2-one 37637.0958 26731.02744 20507.60464 18624.08281 17849.58311 15626.83472 21863.53133 48322.71086 36980.89551 9353.488989 9091.031808 5127.037315 6665.925082 9592.475114 7837.283905 1888.276244 3714.455903 17676.19039 17751.25787 14459.81561 12949.92966 26294.66019 17205.8505 16120.99603 20032.21664 17553.04684 13210.36001 11123.94573 11977.85241 8115.463066 6838.914447 16362.12414 9798.388738 15331.18303 10580.83616 4557.840141 32116.87567 29229.8236 25069.61969 22997.83837 27904.57038 18812.83777 15827.64384 19179.29179 19254.48387 5023.869412 12003.18186 21770.83884 32393.84549 33724.46899 21245.76287 24512.48755 5259.864743 14307.41317 2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3593.190535 2153.17139 1818.864171 4210.253682 931.4236314 2559.244816 1390.656732 5046.066751 4182.954931 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1256.120599 1566.986003 1430.116707 721.6371643 1156.798377 2701.065297 404.5628875 991.7171619 1508.284008 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2642.451515 4.07813e-08 295.4878302 4.07813e-08 Methyl 3-(4-methoxyphenyl)-2-oxopropanoate 2257.00157 4200.43052 1438.872801 4587.086396 2838.324858 2042.59726 1812.33506 2388.028236 2909.293917 847.7131762 3086.087311 938.2783721 609.3199599 1809.841696 593.7945614 2063.313809 4.07813e-08 3173.152214 1652.778839 2031.556038 1377.600756 1117.901278 1387.653083 572.2382636 1312.418829 690.0157792 1172.256297 4.07813e-08 298.2377091 1235.513688 799.4407583 566.6869897 601.7618823 357.9973974 130.9041901 653.1424921 3025.08049 1088.395231 1843.9084 1122.690515 626.207383 793.3630511 377.371501 592.3528248 855.9135453 827.3520886 424.1461919 1075.182227 1665.014461 1838.620548 79.33799299 1164.858885 870.3547218 2182.895496 Goshonoside F7 63727.34431 30757.52779 58567.22157 47666.56497 61047.25076 55486.34445 56841.67548 52848.97067 24450.52833 122.6383125 100.9064385 50.65515295 4.07813e-08 395.9822678 4.07813e-08 4.07813e-08 4.07813e-08 175.1244828 50407.03927 68327.86391 34101.64101 36595.21246 30521.38285 61432.85334 35218.81103 49062.89838 33454.97699 140.0004855 157.8645591 4.07813e-08 4.07813e-08 206.3889788 4.07813e-08 4.07813e-08 4.07813e-08 0.044722589 25683.79967 54135.67989 35882.51414 43687.85088 61229.95802 39939.0835 56609.65824 57527.74787 35235.14695 111592.9447 33487.11869 35054.88801 33071.44474 14536.31526 105.0178169 27556.07366 4.07813e-08 72020.95137 trans-2,3-Didehydro-16,16-dimethyl-PGE1 21829.66261 21238.37154 22966.08188 19683.50408 23483.95593 24279.0034 28293.81006 11126.5462 20989.84844 9261.399526 6463.213968 7122.224317 11220.8931 4866.219217 6156.706368 1038.959827 2924.900618 7460.031346 44678.67702 47021.83244 43048.25693 45105.68953 51974.07849 49813.07909 43818.06924 27311.47766 31253.17831 1795.551222 13284.58104 4787.310268 6858.978294 8993.581993 4444.123725 10497.17823 1397.190202 2124.726721 31675.95811 45459.59162 44377.02884 36793.77203 37804.68298 46199.91387 39179.58484 26889.96726 50600.95632 48371.08558 38699.57283 42217.05006 32023.63335 18942.82721 16228.34285 43656.42231 6670.597076 21220.1524 4,5-dihydroxy-6-(hydroxymethyl)-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 1397.544669 1577.756309 1310.911055 1190.705152 1434.091804 942.0620132 961.6292077 916.7912457 462.5850303 54536.73661 79568.74523 51472.71466 40542.17204 35252.17275 53173.56253 73352.03284 251199.7301 2079.793606 195.6505277 154.0790319 4.07813e-08 585.6225857 536.2747655 309.0012299 586.2898704 446.0260911 475.0603637 15136.92107 41234.91907 80606.28457 40855.11874 85448.2034 39817.52076 46108.13725 54669.94551 1120.031428 902.0882541 335.2406742 4.07813e-08 4.07813e-08 361.6290598 230.0533711 369.0646337 879.1771076 820.3765702 4.07813e-08 4.07813e-08 339.335048 454.2060422 941.6509573 121205.5822 540.1961832 55809.51856 1682.397813 Psychosine 2230.454613 5800.193114 7966.607066 21542.10127 18341.53538 9005.195225 7758.749614 1358.717864 1797.611422 1482.384737 8605.317385 13491.74094 989.8251135 12122.52112 8450.716911 4227.078711 789.0184443 8.024999727 5926.424937 5437.502482 3410.430536 9438.280117 7988.16139 4970.155602 3479.234868 3668.9823 3418.040921 4.07813e-08 2023.027294 5662.756501 1634.482206 1979.961061 4695.803595 1095.227498 6182.94645 3484.118761 5157.491778 5483.451446 3393.85707 5973.843368 7996.803241 6610.231386 4968.713761 3649.213914 6253.256855 4088.114955 2616.309491 7310.921121 2996.732239 1563.32873 1711.289619 3289.94683 1656.43021 3486.229033 Homodihydrojasmone 15659.31601 16276.74745 16479.76704 15940.20517 16562.401 13467.22504 15288.01211 13528.96692 14546.53495 11021.79892 9515.470564 9415.893052 9613.454581 11286.26916 8688.630479 14098.57266 10741.86014 11737.29659 10204.00799 10530.63256 10532.58297 10415.68782 10024.71201 9996.42484 11522.11629 12893.33447 12396.2266 10781.60702 11578.2723 12122.7516 12266.91822 10659.69179 10690.28933 9148.970855 23930.99778 11775.75008 13271.27119 11739.69214 11777.93098 9835.441322 9380.739414 10706.24247 10190.69548 13019.18215 10952.22957 12877.87743 11978.27309 11442.57211 13222.06575 10625.47016 8334.448079 11945.15236 12551.85059 14876.09157 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid 13673.32127 15708.75701 24250.77175 19772.28406 52129.85976 18803.14078 7642.159122 9193.691341 9652.794466 23752.22423 21126.32053 15459.52265 22638.03363 20896.33109 39619.70793 14174.69024 21893.9282 13599.26858 14542.6579 9164.738724 10984.23458 11107.76402 15647.7151 16506.93831 8048.993187 12379.13798 9691.994433 11968.33168 13006.07754 16160.27832 10576.68849 17382.70714 15877.93077 20465.85895 20197.98607 9609.914545 16370.26134 9845.157919 11508.38236 9695.124965 5895.682895 11920.86552 12172.25224 11643.10736 18604.52312 5801.017506 6935.623519 7236.23492 9853.262372 11304.27067 11230.10605 11507.36209 15067.15133 13339.25298 Veatchine 14278.79194 10122.75184 3060.257868 6421.237467 3635.007597 2679.878324 8046.739636 27417.54601 14153.23612 5698.157577 6093.463023 1874.637873 2277.80749 7142.489326 368.6044885 1515.316187 2095.007133 5279.265713 3087.093308 814.0745206 2633.001296 5602.604101 2201.73507 2025.210002 4392.234257 2297.376161 4015.436789 904.3271866 995.0491361 2113.708016 648.6125369 2314.771872 1192.907239 2810.351477 6192.46317 2714.181256 13677.91363 12709.61966 5645.361852 4095.349454 5849.901156 3739.201769 2078.288444 5551.904284 2500.566731 269.110979 881.8883396 4720.016855 9421.702512 11971.82937 3076.296532 3692.949483 2018.195293 3673.258118 Palmitolinoleic acid 2240.939195 1403.362793 3876.288674 3554.791607 4444.419871 2488.559168 2100.456771 5223.959391 2171.532593 1858.505812 1708.792333 1287.530333 1793.336388 1943.737234 2477.862421 6336.28587 13098.28163 2615.469073 2329.252936 1579.545026 2773.903527 1645.732767 4190.105373 2651.945649 2740.87291 4970.308195 2567.911099 2761.107046 1059.865191 1634.762913 1604.084697 1217.088005 1614.895182 1663.432335 7284.993987 1838.484092 1595.897686 2115.46649 1207.165577 3737.734345 3385.218188 2566.786865 2562.704814 5858.309803 2242.738006 194.8591028 1215.071831 1835.572616 1779.073983 1110.061886 955.357797 1598.878963 1803.537932 2116.512325 Diadenosine tetraphosphate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20.41589952 804.9323707 4.07813e-08 1464.216374 4.07813e-08 4.07813e-08 4.07813e-08 529193.7604 4.07813e-08 641911.6856 538893.5701 42248.85673 468877.9148 308694.508 4.07813e-08 4.07813e-08 557.0041373 3.370689975 4.07813e-08 254.5022628 4.07813e-08 4.07813e-08 4.07813e-08 83426.36677 203437.6258 4.07813e-08 95342.09624 3787.091535 4.07813e-08 251167.872 225927.8533 6748.395566 1392.567774 4.07813e-08 6639.453849 4.07813e-08 4.07813e-08 4.07813e-08 286.7545194 4.07813e-08 4.07813e-08 4.07813e-08 85771.87549 6142.868458 7424.518696 4.07813e-08 7822.914335 11176.04656 4.07813e-08 4.07813e-08 Cepagenin 17242.90732 13026.39972 13920.93131 16170.36167 13482.27383 15448.99883 13414.31878 11862.50251 13003.78591 2712.693296 3114.92254 7206.280898 1915.398041 18986.82226 12384.78121 3507.461511 32501.11538 25586.05565 16452.94815 11012.0964 12594.27821 18106.42659 10588.34178 11664.24077 10492.14812 6196.377419 6616.448965 7733.645035 2214.449515 1485.758532 2189.472886 1465.293258 1165.340371 1756.666203 8210.723058 820.2479489 9143.887963 8219.137896 8659.817864 19405.23353 16291.72962 11836.38228 12508.8415 4629.484354 5691.877593 29212.78649 17816.89656 17553.36056 16881.07953 7419.107961 13427.03178 14081.44544 452.1143204 10653.08111 Octadecanedioic acid 9620.226754 9466.436258 9813.557602 11455.47479 13801.32851 8179.826255 12275.992 4808.420535 4180.141628 2327.831731 1263.503548 217.5035902 2708.080967 1514.11493 2092.131378 6549.094134 899.0806221 3679.109125 12857.24524 7282.066067 7559.657355 9772.923805 18606.22514 12949.43072 9570.229073 47828.0749 14503.11922 7607.601428 777.0316251 10550.66349 5977.321309 2623.265417 4158.158799 221.9577118 2542.068343 4562.786415 5719.117001 10969.62102 6868.816884 11278.75859 10829.10432 12490.70433 13447.75581 34701.84063 40624.3132 2850.054663 2396.402461 4880.349352 1304.402855 1516.935443 1520.086802 6165.772917 8766.862123 4813.229839 Aryl beta-D-glucoside 4921.955633 5335.899407 3860.606514 4274.142973 3695.153326 3094.018322 4114.229923 4679.605014 4033.018061 2857.017836 2507.480232 1165.325894 1713.739603 2412.236496 2316.453935 2879.376415 1821.273094 2235.690563 3123.712782 2998.413036 2826.450355 2409.657856 2242.302869 2541.494689 3115.671863 2701.582848 3218.453839 2154.344067 2180.358328 1847.736341 1400.816874 2579.570552 2807.816676 2106.921381 1271.837032 2648.444027 4449.618564 4058.186607 2507.656677 2681.121455 2054.025158 3063.408824 2386.447858 3891.7766 2900.579897 3585.346768 3449.231814 1912.866003 3585.995662 3342.57862 1997.130442 2957.445011 2391.963721 3936.389636 Yamogenintetroside B 2738.665265 4.07813e-08 1518.547056 398.1448632 4.07813e-08 1.622500221 3448.686169 191.1723461 4.07813e-08 144997.2715 93721.27686 68341.6676 122070.7778 66814.01029 70283.5144 20302.69814 143425.9518 156980.4764 4.07813e-08 1090.124149 182.6764781 699.3973679 357.3300739 4.07813e-08 4.07813e-08 58.14246125 4.07813e-08 66153.98995 146951.3728 101449.4871 119587.3621 194539.1183 94308.27241 128215.7259 57495.21939 57878.70177 751.3654129 4.07813e-08 4.07813e-08 142.7632504 4.07813e-08 504.022308 4.07813e-08 4.07813e-08 760.043581 458.5252711 4.07813e-08 218.8580244 1071.096468 154.6269227 194627.7095 1700.378808 195462.2969 4.07813e-08 4-Hydroxyphenylretinamide 781.5179364 2090.973712 4715.344049 7065.157641 2588.364127 7288.026078 2977.273239 9861.238357 9519.538823 1722.256116 2479.653552 15761.98098 1488.962167 33617.00369 43173.76954 9440.599476 87721.30071 11561.81742 8633.243139 6898.847867 8955.385333 7106.575485 4790.735282 6307.952926 3099.805155 1167.305364 658.1757066 20361.0707 9931.149113 7509.505821 39053.6085 25480.52405 7976.157726 15735.31713 42696.573 7393.359045 4116.015894 3713.976563 14453.82277 9016.077239 7198.629798 3679.787624 4711.902755 349.9684729 591.0525052 20615.38381 14567.88113 6899.570896 8769.625155 930.7317649 11370.59235 8114.477741 2394.109785 3010.095893 Decylubiquinone 112.8117967 18.95087297 4.07813e-08 4.07813e-08 462.5241848 610.031977 275.9207161 140.9993399 17.03016856 102.9354799 5235.854091 4.07813e-08 15.94239504 291.2761156 1499.909068 4831.196388 11963.2941 4.07813e-08 300.5767199 10.5314678 4.07813e-08 330.2451042 309.7275242 190.0926128 4.987895419 4.07813e-08 220.9434541 8020.164312 7.038505015 15385.90098 4.07813e-08 13369.04174 9505.187954 4.07813e-08 13779.06308 121.0611438 15.29385319 7.046383928 355.7953977 201.3823311 94.40247298 189.4035461 582.3286018 117.4052857 292.6066409 111.602562 147.5915788 193.0326589 106.1866168 4.07813e-08 312.3299934 24.90768329 1565.255501 121.5794964 Tolylacetonitrile 1343.022471 981.6561654 1231.002387 1162.438129 1341.970776 937.1555306 1140.790564 779.064863 1073.436811 689.5361501 613.6915463 611.9579835 654.3352854 629.9806022 374.2965671 825.7185122 492.9324341 648.1948554 765.2434108 720.753518 771.4473233 879.6113876 913.9258872 792.6081624 700.7075385 796.2931135 954.8422437 711.5231878 530.1525406 838.8803065 686.5679605 512.3858678 720.6134654 492.1903695 629.106132 638.8139201 902.171076 704.9759228 891.5404719000001 764.9603127 603.0088757 874.0616793 718.4008059 803.5720592 921.9670704 963.5532777 766.0063574 680.1302315 762.5748078 910.0196718 519.6495318 863.8776988 986.6449663 1062.756313 Gibberellin A20 4.07813e-08 4.07813e-08 4.07813e-08 31.96153639 4.07813e-08 187.6677737 1983.129239 5192.611292 292.0913088 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 218.9025176 100.8190153 100.5896658 97.7698027 233.3202278 243.2428294 42.23801617 28.02377349 139.0114657 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1012.208397 79.50656152 97.46317973 140.4831966 119.6977544 129.4249488 121.0547861 81.69164265 161.118453 172.4388467 670.2386228 822.6464024 2626.858739 4773.347885 30758.49098 4.07813e-08 3063.86713 4628.234976 Ichangin 4-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30537.50714 43108.12811 38138.78615 24895.90579 62102.79617 9159.527585 22037.21614 34074.072 36708.22247 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2179.72941 13115.67374 49529.24187 8606.448437 46992.95323 5984.627798 7692.966567 482.6795288 34715.79003 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.931370483 4.07813e-08 4.07813e-08 4.07813e-08 25911.50733 4.07813e-08 9873.273966 4.07813e-08 Pitheduloside A 4.07813e-08 4.07813e-08 4.07813e-08 704.5275978 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76995.21551 67342.92538 46868.8044 55710.93331 55468.21035 42939.39327 24702.95388 65702.6998 90372.34858 233.8373536 14.58393412 0.103442627 4.07813e-08 4.07813e-08 4.07813e-08 396.7296312 306.9535792 4.07813e-08 31283.17835 40936.00977 56763.18229 38106.41169 53069.1335 33527.83918 30032.21202 33109.17196 40158.47855 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.31875799 35128.58276 4.07813e-08 82289.19914 4.07813e-08 4,11,13,15-Tetrahydroridentin B 2637.354261 2764.536095 2859.585936 2422.518644 2708.809606 2638.175 2854.06814 2048.827935 2225.729449 900.9309421 894.2841346 530.6023615 1003.094602 469.7350799 263.2893121 1103.16657 348.8418449 1066.124131 1581.721285 2484.297698 2657.883842 2361.776815 3090.613752 1829.501134 2985.445289 2671.4673 3069.357518 560.1819315 793.0160654 1094.19619 747.5115121 646.4764666 964.8870148 808.518187 787.7415901 957.2586664 1502.310984 2419.555076 2078.769103 2417.6968 2892.466989 2501.874367 2135.250792 2758.086098 3350.725016 2257.874784 1286.26732 2185.262624 1296.7129 1554.309208 701.5193673 1932.92532 862.6474698 2118.067907 Tetradecylamine 11586.69442 10173.41865 10895.14796 9845.91544 10164.80327 8573.359669 9313.182848 9522.481137 8213.79552 3742.997706 5010.926077 1163.897345 3725.785868 748.4354601 192.2433512 4897.352374 4.07813e-08 1883.100381 7426.653879 5746.866523 5571.628378 5758.48672 6012.649948 5070.946706 7731.183462 6620.262166 7816.860088 3848.89907 3817.060796 5837.871622 3438.284134 3976.197081 4990.946355 3999.110613 1970.794847 4650.560178 8124.63066 6492.328036 6950.2886 5686.904245 7145.647793 6856.92213 6618.84158 8905.193534 6994.12092 7007.479113 5427.52865 6374.359292 7061.950045 7860.553188 3606.011239 7145.644637 5499.795842 9324.47358 Chaksine 7565.339154 13630.58045 1964.640336 6469.711133 1956.492386 4633.573464 3875.641025 11185.21376 8855.093683 27556.54078 9750.547466 66572.54675 16316.11309 97589.68039 91225.26474 85313.84488 195978.1989 112645.3121 1466.833312 1522.260008 901.9487044 6030.856386 1262.463912 5090.732846 2014.064912 262.1172168 2002.756765 49897.92371 39231.16673 13768.49895 41532.16095 20080.6747 18716.20977 46855.91418 94071.44739 22630.13081 315.9029537 726.60487 136.6510434 2239.639261 6124.405522 1507.243912 4095.152807 189.7549305 644.4182438 1253.53103 20045.10065 9916.017653 37687.51215 12151.97608 42893.99284 14263.63858 17510.59546 12576.16911 (R)-Pterosin B 10886.46921 10631.23024 12784.34277 10770.38788 10901.6329 11269.82103 12052.83061 9983.729269 11302.08991 6038.726919 7703.672616 3712.14806 6210.365368 4346.534687 3564.606913 6506.708355 2966.905495 5532.60488 7936.170584 8123.28959 8279.893937 9145.220694 9742.233861 7998.655433 8790.209494 9403.196509 8248.582268 4421.611358 5319.932901 7374.602967 6503.220085 7030.082218 7323.403937 4574.743661 5381.306148 7509.527356 10662.33528 8400.175236 8535.70605 7892.363963 7589.875683 8122.524875 8419.978111 10434.61471 8560.982992 9847.108034 8563.81072 9393.294735 8503.674623 9260.609727 4881.299829 8764.627226 8067.586642 10133.38935 Burseran 9312.58554 30731.63657 22721.29636 13014.43192 20920.57393 7617.07948 17839.75474 23038.05949 40154.40445 24602.24378 9479.96575 22039.66906 22584.95402 18127.25078 7711.794717 6311.015078 51006.86123 17594.2498 23305.08704 28743.94398 15167.83877 16234.91202 46596.13829 20350.91865 30676.46108 37660.0135 12215.31128 16393.20018 17370.10649 12881.8291 24924.36601 9599.219687 18771.26253 15733.01073 13390.71537 19807.58529 16026.32353 7579.892171 19701.10959 11484.73784 14899.51763 15772.25313 20822.37369 16685.35649 18256.81155 17677.82303 6061.353708 6905.778729 7604.924054 9255.938192 10237.58435 25399.51256 5034.863682 15049.52464 Dopamine quinone 373.6555445 249.5522001 447.1458551 304.2710221 353.8625277 439.4638734 503.997226 362.2571549 702.318304 377.4144061 385.7264663 365.6564273 365.4027871 579.1405256 357.8686755 222.2758347 310.6779947 351.3227685 282.9659628 382.5006797 527.5504182 233.7426589 278.0849943 537.3859711 494.0407111 321.8923887 334.2816694 560.865313 340.5313162 531.1485016 458.2213563 511.5422701 368.5683032 344.9159153 437.4112294 352.3034003 455.7873517 520.7610574 442.6557605 451.7445045 290.9470012 544.9535348 426.5634525 685.503718 424.1965038 650.8809013 463.2051489 602.8426299 586.3717882 563.1697898 421.983681 528.2986634 469.0008077 621.5955526 Penicillic acid 924.2775902 602.1549108 620.3376216 504.02487 697.7650539 623.3349064 672.5027468 321.5753898 752.9503136 388.3629687 526.8274109 389.4728146 458.7832509 450.0596316 452.8116712 644.0330021 396.7390211 584.3473839 506.4405061 570.0783549 523.9862689 560.9488377 500.2140812 397.9572989 670.4056086 856.9579877 599.1305467 510.3425844 370.7695203 668.4316668 544.0407201 477.9439851 429.2464044 440.0743169 423.164598 818.8066609 642.8267497 518.1697178 382.3026844 391.4595394 733.6478393 361.051554 375.2366716 575.4710441 660.2472478 476.9170494 551.2715166 585.6197384 697.5342206 715.7616125 523.6736558 459.1140949 427.2400628 856.961513 2,4-Dimethyladipic acid 5555.868335 5871.106864 6143.83357 6028.448878 5808.509438 5420.41141 4599.845379 4699.781404 5240.12273 3472.402498 2923.502687 3619.365122 3836.872855 4710.165636 2929.99248 4218.325182 3919.30856 3849.32017 3830.61965 4028.639521 3794.827027 4425.843968 3935.395674 4102.890479 4323.577824 5380.53524 4652.805655 3233.067366 3665.10592 4328.729847 4514.998853 3710.046371 4052.800577 3351.854759 3742.04205 5079.409425 4346.926298 3770.286274 3658.552139 3766.115563 4331.33685 3634.377538 3950.21466 4648.477462 4672.20137 4546.971362 4476.510919 4237.386828 3879.522227 4303.779152 3038.358729 4524.149459 4240.898061 5619.98233 Lauric aldehyde 5329.174618 5004.364075 5302.282766 5046.98352 5554.197111 4076.281814 3784.355271 3732.082113 4441.184044 3069.359937 2813.567152 2918.305671 3330.59092 3537.234051 2754.01334 3076.59606 2725.207926 3486.400874 2875.390338 3203.218253 3138.031924 3271.862479 3141.453312 3404.297712 3727.355789 3959.985441 4028.817945 3139.918099 2941.885945 4050.173599 3442.532504 3061.477059 3555.075094 2521.269013 3346.618939 4210.220952 3780.429883 2982.708481 3268.584296 2933.296239 2765.090231 3415.815482 3117.487621 4841.389767 3771.665258 3719.537411 3067.648765 3318.587117 3500.998818 3848.542991 3061.808751 3694.151067 3614.769747 4876.341449 1,2-Dihydrophthalic acid 3156.139961 3185.970151 3412.161956 2800.594515 3347.901254 2764.662863 2833.63971 3218.882901 3469.711749 2069.019042 2107.795265 1965.425999 2076.038147 2567.597958 1780.369692 2709.588357 2393.151805 2515.719432 2066.111276 2340.30738 2016.095623 2579.870111 2087.600189 2437.428386 3234.488514 3370.429384 2622.029451 2015.402867 2349.036048 2453.012469 2206.344028 2187.468017 2491.633603 2031.16789 2702.157877 3131.869666 2400.844341 2347.772816 2695.941635 1824.086995 2743.438738 2994.552311 2314.545095 3358.280176 2624.787166 3047.373482 2217.460125 2603.566453 2904.576607 2723.937096 2098.167804 2515.151463 2740.53237 2910.997446 2-Hydroxyhepta-2,4-dienedioate 2813.461796 3961.848475 3451.124361 3646.857338 3487.050117 2583.867373 2543.648393 1409.914054 2410.920016 2015.767117 1944.955512 2091.608263 1785.045977 2109.458726 1831.913298 1617.541829 1593.180614 2318.661443 2405.496983 2108.072783 2146.875644 2266.031521 2203.352834 2266.331498 1654.631814 1673.533301 2250.06689 2021.109268 1618.242572 2507.160578 2392.20422 2123.331707 1777.026779 1780.92379 2219.91122 2522.403917 2126.254805 2081.020874 2500.618021 1560.990841 1237.553366 2044.757966 2033.133365 2617.776787 2419.263611 2705.147675 2454.175555 2362.738194 1622.38371 1864.586146 2057.762375 2088.999828 2814.578833 2386.904782 Methyl-delta-ionone 7300.619747 7357.453625 7043.965851 6800.772984 6079.401888 5479.123909 5524.52707 6045.646466 6185.849835 4219.548584 3754.182157 3807.926225 4457.642725 4595.841452 3476.512943 5086.65697 4046.389593 4975.210021 4498.853409 4520.086811 4117.554961 4626.634429 3908.054349 4835.76137 5424.034389 5533.807939 5406.158112 4256.381806 4436.514906 4982.144269 4743.964314 4066.869779 4763.647706 4003.383643 4945.749589 5654.771369 5105.272747 4183.433642 4789.15156 3767.880919 4656.727361 5083.500005 4502.934621 6039.670704 4993.595265 5150.93231 5004.218986 4959.700127 5200.897089 4944.274271 4313.893731 5450.812332 4974.447519 6094.335193 2,5-Dimethyl-1H-pyrrole 1158.83528 1028.873308 1110.348458 1130.653422 1296.298165 1065.922536 937.1626207 1181.615026 1030.784773 809.6017266 789.0267042 820.3194265 698.8974765 729.6916208 643.0003672 1058.8612 799.6577451 918.7564951 728.4381346 682.3484113 811.6463268 739.4254645 924.8570487 686.8384478 819.7480193 860.8903886 907.7077207 638.6406623 768.565252 752.8260594 814.7330568 718.6029046 1133.688826 829.912877 837.5170045 1051.621598 855.1983134 653.6684482 767.5027211 766.7828485 685.6649443 724.9893533 884.7687041 877.4677857 996.155738 737.5166662 979.5348156 756.4921272 851.8813717 960.7721433 680.6763793 966.0464366 1150.859102 1104.097305 Cadaverine 5553.821326 7254.332816 434.0226269 4.07813e-08 4.07813e-08 5643.762034 6479.233596 5734.257651 4.07813e-08 5308.049314 5666.818349 4725.969237 5391.112315 1390.688658 10201.80251 669.2164785 9578.463032 11993.40462 4.07813e-08 169.0624151 619.7235523 4.07813e-08 105.351561 3718.741904 4.07813e-08 39129.01618 2930.615227 11711.40122 9084.336254 11457.97185 13641.65021 6778.839023 6723.690724 7465.960834 3931.376935 7419.133042 14308.51187 4.07813e-08 4.07813e-08 705.382573 4.07813e-08 771.9266106 7521.562537 58141.40923 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4561.490306 5119.60649 10903.12251 4.07813e-08 5568.150377 1915.210741 Benzamideoxime 10001.12189 10428.73155 14506.40753 8205.825286 8488.646805 16140.37464 20168.57126 19543.25736 11513.67468 6473.190524 6402.182376 3987.532495 9304.508626 3208.181449 5442.512657 2397.987829 2770.690249 5313.021471 19854.24977 26947.51243 19496.17008 22169.61291 28413.94615 22330.5608 20790.55123 18039.40995 25647.88708 3292.391429 6008.84278 698.8741326 5679.221366 4216.402047 5326.135246 1956.638487 92.30062484 3296.571394 7782.17501 17568.32047 16735.13988 24003.04703 16814.52319 21819.79659 24589.88394 17180.09482 27788.66116 16602.24406 13257.80866 16992.12569 16637.29125 13542.58224 4208.179655 17649.35615 6386.285084 20266.17185 Lysinoalanine 23374.30339 25486.74898 4838.92561 32136.39769 9142.944571 14183.69738 20766.52501 39279.98977 27017.00257 20479.21302 37882.15621 35907.35257 18858.21262 20700.51311 18940.13619 25172.25455 19040.64001 20032.50346 231.5333142 2009.829334 10337.84686 201.2563348 1427.11113 219.7605573 3753.664139 4.07813e-08 4.07813e-08 20017.76961 18126.4724 18409.71844 20170.45835 19376.17467 15975.34263 21407.82975 13628.65072 23214.63739 4.07813e-08 4.07813e-08 1370.804635 3711.375183 4.07813e-08 435.3114112 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17807.1233 4753.426383 11345.29302 33459.82742 13214.49093 2908.745582 49136.63981 7112.357357 5,6,7,8-Tetrahydroquinoxaline 3187.087013 4.07813e-08 5461.535285 4.07813e-08 4143.28275 2579.891733 5169.306127 679.4833703 1754.050353 4.07813e-08 4.07813e-08 4.07813e-08 1367.484866 264.0426795 4.07813e-08 1627.043062 4.07813e-08 749.8029662 21088.42503 10086.00601 20355.95766 14699.98672 20289.39312 14473.02918 20029.41812 16742.86063 28349.11139 6303.258358 3506.851384 764.54761 814.6309413 2031.799832 6595.064742 7468.970276 265.0274211 588.850425 9811.509898 8897.857802 18892.63372 14707.14243 11962.05751 15972.55389 14753.198 20144.43241 7361.80801 10380.82056 5446.805073 14532.00266 11961.08388 8530.975892 1953.364323 17055.85405 3216.824643 10602.92968 N,N-Dimethyl-1,4-phenylenediamine 4.07813e-08 4.07813e-08 35.26805697 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1253.263197 1028.739354 1200.922156 1047.972322 797.6505118 1154.851897 4.07813e-08 285.033233 1473.518698 838.0189999 208.5316178 597.4731405 349.2894458 745.6967227 486.6578697 1251.494165 162.4056972 786.393497 2097.222531 1771.814325 1030.963445 1112.175062 3181.231936 1985.801571 3369.515833 698.7408323 674.2400486 46.15686716 4.07813e-08 1068.165372 670.7796409 455.3442153 448.1404382 241.9315358 451.0043054 4.07813e-08 4.07813e-08 351.9408325 370.7293614 455.3012143 679.6984486 3566.633426 455.0509598 939.8466684 152.0796878 Raffinose 197858.7043 258374.5765 368414.1404 358415.5115 165922.1123 281327.8182 401596.7496 254551.5152 170623.4834 255623.4289 218167.8106 167717.1166 176339.9402 244631.2816 307820.3695 177150.8419 173488.0437 43875.31809 17606.44496 26287.00124 23908.73628 17948.05571 8091.814539 8354.796095 19952.81716 27606.24366 41312.99716 116824.3824 240972.8168 209774.4281 395598.574 78188.90198 178915.1384 377743.5509 419659.8972 314146.971 41460.89717 75697.68827 75695.32999 22145.65431 11968.59168 8387.201027 8144.478509 41927.38386 22897.60368 58828.63383 58639.57027 103349.0098 90538.10602 84708.74932 61269.26646 104827.7788 522346.5743 214019.0303 L-Acetopine 38708.27706 48078.84776 22394.96936 28878.86177 18270.34685 21762.01126 42220.54081 51582.18182 72389.79065 3017.087689 1690.577171 2902.09906 3666.217405 2007.78142 3432.995414 1589.019025 654.3577558 2314.771512 6038.756608 14157.71966 11171.54309 5284.291589 6389.456614 12009.97862 11325.95029 8340.440923 10054.55094 20045.90528 5447.862464 5642.784768 6991.413805 11160.21502 11532.43275 7378.727498 5156.397598 4334.58204 9163.805525 9273.440717 11988.95066 13997.43396 6074.260032 7265.612983 10112.32547 10330.89666 3877.856922 7620.79859 13913.6391 10820.11085 17593.01781 27248.53769 6376.369957 9564.308629 9191.703184 13814.74591 Vicianose 149237.9123 209654.2003 292922.7379 386896.5729 271247.8508 247178.7479 378512.1219 260138.9316 148552.2093 29875.05189 30980.93673 26711.99193 24422.05281 47014.18337 17477.88925 30774.67785 24965.30168 57961.33886 19529.95517 133744.5363 22211.34589 42442.37222 17999.06766 9978.674916 25369.4067 12003.48768 39543.88365 8118.443849 27349.60506 59490.55359 24573.80562 35048.40119 30375.32418 14055.02653 31839.05298 28707.26184 41877.69615 70839.41851 68890.76524 23738.40862 29824.57841 17816.7956 5676.079915 17135.00603 21816.39603 15531.8958 17590.7766 61456.08548 76199.27787 111235.9535 26209.22092 69365.83397 26178.56431 143997.586 Dimethyl adipate 24434.93077 16727.3661 13170.84669 13245.38859 14256.07764 18507.48764 20130.72419 21002.07991 15123.34938 8047.106485 5581.939677 4576.119611 8498.940036 5584.854551 6599.751887 2275.104103 1024.208381 3503.861597 16060.40898 18246.83138 13419.89787 15471.90906 25513.17733 19535.75675 17831.62978 18515.51075 16939.64941 1859.12837 2886.770366 5096.519671 3832.609865 3521.409222 5062.941218 4720.670063 1688.97677 3174.629399 10018.56626 13604.01621 11805.84454 15634.93726 17323.94528 23403.37099 17796.77785 18889.66738 19404.12679 10618.77006 11742.19024 13602.96919 10879.30166 9751.246519 4778.495185 9703.725247 2776.223305 15585.39683 4-Hydroxy-1-(3-pyridinyl)-1-butanone 4742.830023 3269.305421 3767.57601 4459.088922 4750.685154 3985.860552 4183.79325 4595.986481 5011.327963 950.2919271 755.7929124 481.2246171 1695.683974 1521.444768 725.8597823 245.8814815 407.0874689 620.0349652 6298.119752 7590.064038 5039.391929 5008.348474 5035.525446 6200.075804 4094.375187 3635.292574 7028.632521 1038.147595 1542.097799 907.4263304 1049.920967 2939.043296 1926.289253 2482.871736 737.6836248 848.608063 4688.415988 5794.633521 5241.108907 6518.196186 5859.344631 8632.375756 6371.529656 5160.890015 7046.117465 5391.848489 5358.524886 3659.728659 4607.696021 5053.258197 2452.585925 5214.536044 1301.347543 4990.234287 (2S,4S)-Pinnatanine 73211.87175 66841.47763 78292.30016 100343.1607 93101.65684 89692.99575 88567.77325 56254.79957 57387.46789 17338.71856 18851.27375 20517.60583 20812.59979 14201.18816 19751.54924 15127.4881 13086.87045 13331.1735 102572.9215 95817.47174 74740.80725 80678.36934 87909.44275 97116.79599 94763.47339 60537.03036 69048.19086 14543.29159 17060.29948 11108.07285 15293.49013 10899.97475 13976.74232 19254.60506 20125.1862 16262.64435 75919.68055 86914.17885 78440.97251 84805.38326 84547.65676 90601.72574 83320.10282 53908.86579 88237.82751 72974.06477 85500.86938 66860.68483 68883.05416 67078.32768 12625.5579 66365.02023 14776.22907 81044.8031 5-Hydroxyconiferaldehyde 24605.14789 20993.73343 33454.53988 44369.51858 52296.86131 32937.67543 36318.70033 31614.15673 25994.34649 10968.40752 12785.12511 22961.17836 10421.87934 20928.52048 11910.09306 13780.13614 8365.683899 12393.32069 30239.05704 37142.87568 36976.38479 27351.97622 44483.12506 38778.72746 40427.31642 31999.17083 34223.80818 9619.677975 12593.28558 19657.95649 11269.23438 17838.55253 17334.61849 14410.80762 10370.01942 13375.86007 30063.37631 31781.4362 28318.16319 39117.73692 31818.91302 35273.20869 37017.12089 28615.77329 41598.62444 28555.57428 28922.75367 24401.05227 23834.66558 16944.36451 15541.64533 24803.44697 11444.61318 33033.15718 Gamma-glutamyl-Valine 346.572248 1107.416033 415.7812199 4.07813e-08 765.1957293 706.4376798 4.07813e-08 1276.823457 1130.288155 2128.684027 2031.62715 1802.725516 2336.44141 1572.165527 1203.344835 1641.288944 2643.976833 913.5782205 508.0606979 2614.793088 749.9232043 1673.319708 4.07813e-08 1001.602405 878.624586 7413.432415 6976.781151 2180.28643 2648.327463 5819.492573 7758.402002 6235.247175 2668.813688 800.0699975 3976.214229 6768.13098 431.2689824 298.5022391 864.2704006 4.07813e-08 1641.504276 350.5838536 891.6745911 5401.434822 2882.881599 971.7362838 529.7135297 332.6651866 1347.667355 809.5865257 5658.121218 172.5295101 7769.782143 206.2573608 Ne,Ne dimethyllysine 2008.130775 2167.064243 2290.263141 1354.934311 1476.995773 666.9693655 2075.028002 3581.512974 1901.062195 1269.251121 1448.594893 748.035524 1385.089961 427.3713501 1612.809927 188.2260237 1594.373416 3623.716839 2249.337252 2017.089404 3115.62393 519.4445222 721.8016257 4.610288554 2114.486142 5035.612075 4189.285041 1576.871424 1296.918733 864.8945758 1056.133929 1585.789371 1150.324233 1669.370741 616.8538538 966.90781 3491.013293 3278.036917 2822.592325 656.3039239 412.1561997 1472.245923 284.0844538 6459.272781 1362.392077 375.94806 4.07813e-08 758.0832285 771.8539926 1825.957032 1861.79522 1695.386578 1627.751991 920.7711593 N5-Dinitrophenyl-L-ornithine methyl ester 4263.042018 765.3855754 4428.133812 4918.146362 1106.788456 10373.13964 6605.969387 5472.861706 5137.764568 1685.813699 321.6188693 290.4382325 841.481838 2765.209558 0.632784068 513.161443 1870.097667 385.9975287 20493.85007 2941.855862 27418.089 16073.25121 11966.23415 7611.676678 19656.60543 4.07813e-08 1199.585192 198.9566861 1557.721872 5246.181453 15728.20565 1972.012067 7043.14792 24034.78466 1792.653703 7364.466598 2630.526201 10160.61556 10875.52281 52275.02497 3366.638163 5720.922977 12471.84823 4.07813e-08 4.07813e-08 3400.021683 1332.89576 5345.222083 1629.59857 13733.19739 586.6573465 8990.850858 70.85573705 733.8603472 1-Ethylcarbamyl-4-methylpiperazine 2688.089649 2214.671877 2002.105368 1885.63774 1773.124464 2519.702343 2027.127289 2274.424064 2053.39165 877.9204905 952.2151261 1029.236304 1211.475613 792.2824207 742.2342886 888.4059718 502.8228349 1145.054562 1912.900781 2058.652485 3238.316556 1621.605422 1509.816429 2067.389633 1564.64363 1020.794305 1375.576012 664.566808 1085.685702 1140.64997 1014.771648 1187.894349 506.3991496 1410.899909 420.0551375 1209.556376 1485.43846 2143.140766 2239.87763 2509.419324 1276.201478 1184.558434 1663.684103 1070.996588 1392.099718 1277.511428 1737.165585 1351.119695 1685.088969 3020.72185 1378.63996 1371.21107 1255.49106 1133.168366 Indicaxanthin 4436.98965 6306.43497 1909.824781 4170.09666 2599.225548 2142.619366 2615.439906 4454.740564 3233.353873 6823.599477 5782.962667 4298.112927 7660.172056 4101.719844 4721.721273 2405.149901 3399.104346 4886.737221 7246.598091 4985.02212 5573.316807 3054.586393 2365.33548 895.0120405 2092.671 6338.74454 3224.704574 5438.687987 5841.608944 4305.890049 3195.203799 5223.272808 1799.311179 5444.230213 3147.457252 3439.833209 7626.240045 4018.900302 5659.318834 1879.760623 1993.298657 2559.074338 399.6841107 4031.555268 4522.111871 660.5824496 1908.935315 2519.533097 2935.817994 5328.722176 7994.876353 3480.715268 5751.535301 1481.08706 5-exo-Hydroxy-1,2-campholide 5199.095024 1862.743366 7605.186603 3327.76942 6422.764902 5382.636773 5852.115785 8356.836836 1228.211677 4.07813e-08 69.73462994 239.6643615 46.41933446 155.2117914 4.07813e-08 4.07813e-08 4.07813e-08 209.2582653 17462.60731 11545.82606 9107.181909 15253.09546 17662.98609 18928.30497 15390.67445 21373.9789 21597.26882 52.46982202 170.6615353 58.77352551 4.07813e-08 50.14222351 4.07813e-08 204.766697 185.2460775 54.10579387 8862.752639 8749.717617 8933.982997 14284.282 16433.37344 16743.24947 15035.42529 20691.29248 15699.7845 11234.34321 5235.960211 11729.34901 9166.917582 6846.364345 51.2822817 10604.77 4.07813e-08 8550.906218 Daimuron 20345.80389 31572.89438 25129.58131 30345.52605 28776.96051 20065.22862 21421.14392 25594.91358 22831.55909 4475.438556 1731.39466 3555.171823 6756.543175 1458.337422 4795.42049 2995.107338 2093.266367 691.3641616 28771.36543 40357.40566 36381.15728 28481.82741 34319.6678 24835.36447 33413.94317 56251.20488 51458.4798 11895.44357 4072.529991 6073.479573 8160.87637 9647.307068 10548.75353 13273.02348 10577.51579 8700.975212 26130.98274 38274.47362 27086.16078 31753.54666 30659.94431 42456.49348 26649.07519 59142.01628 53079.5316 49542.63145 15951.66054 24611.25857 32755.47986 49711.31178 9862.135794 33658.44138 4905.550539 25797.40634 b-D-Glucopyranosiduronic acid 4.07813e-08 271.916818 35.50437288 4.07813e-08 21.76752269 10.70213261 378.4754372 4.07813e-08 4.07813e-08 4789.070463 4057.984096 5979.842531 5737.149156 5090.682759 2850.241201 2341.249048 2000.410996 4395.032794 252.236057 116.58964 44.47450392 32.01288521 38.09419275 35.56239879 5.237909955 81.39220165 18.70939839 4192.628107 4650.910253 5854.423641 4122.12766 6000.204186 6984.432478 7189.4616 3238.670084 5080.353221 26.59262674 40.02239801 33.89683771 1.096801788 34.02729987 79.87361425 13.71709684 34.52587023 38.52763849 29.93232662 28.82529654 12.57162561 29.83573874 8.472028745 6583.835571 17.63171802 6260.344632 4.07813e-08 2,4,6-Octatriynoic acid 4396.909906 4440.214147 4665.123229 5174.729535 5642.339545 6221.347783 5699.622857 5043.212891 4339.235535 1331.075547 1258.470618 1657.039356 1380.614205 1557.053625 1367.433734 1209.308115 1445.306414 1944.444124 3824.141832 4366.479683 4660.632662 3953.352731 4153.319711 5256.827309 3477.039887 4563.425684 4379.476808 1217.236009 1800.10998 2008.011179 1753.363702 1488.376397 1505.641093 1906.11489 1476.94956 1847.58756 3876.595592 5113.839871 5329.603955 5276.519951 3200.324031 4317.103621 4495.674996 5302.006712 4409.784035 6359.003916 4153.493444 5157.508768 3923.142319 4091.827713 1602.013401 4330.935814 1505.342864 5469.909754 p-Hydroxynorpseudoephedrine 7339.651494 6029.984906 7574.190137 4927.041503 5814.561721 11514.76767 7631.916403 6777.987178 6676.009316 2641.169869 2377.448934 2527.279841 2723.441462 2071.813205 2907.446653 2388.967978 1836.665811 2944.050252 8383.597027 8410.596297 8725.564969 8360.266249 8781.21808 7859.001941 7574.175845 12758.864 9241.402617 3159.094554 2903.076801 2246.174173 3078.861434 2978.689994 2997.812409 3851.801727 2268.230775 1946.636328 7329.343751 7659.359895 7891.767296 7963.044979 7163.621455 7166.465812 7869.893254 12772.03035 8956.253407 7681.536138 6493.12936 6244.597742 6430.620128 6415.331586 2522.248817 6692.520281 3667.810118 6415.005907 1,2-Benzoquinone 197.9412495 164.3541835 253.3321944 295.0643856 145.9843413 153.9686882 199.217937 131.3055931 153.8389999 1112.856563 1086.43317 258.1126984 941.5824774 180.1240585 169.9964192 394.2767833 239.8731996 156.5668153 191.383919 137.385705 184.0644736 198.8066611 44.08889105 127.0564923 134.1989507 106.2277449 133.9784543 162.3489516 239.480472 648.9626526 229.2747346 248.0766032 259.7513164 740.7874813 273.7866518 221.1681229 86.73789661 186.7523534 175.7400326 153.4126386 74.37825859 154.0925015 101.556807 113.3669318 96.9511179 155.5873485 185.840859 117.7007378 73.18138843 136.9594878 188.0506167 41.74427636 333.8514707 215.8977573 3-(2,3-dihydroxyphenyl)propanoic acid 500.4647953 993.2925496 749.1375554 833.5380705 1207.405542 885.3550035 974.2215186 699.9683648 362.801593 623.7100151 425.9137685 859.4893541 482.2501741 597.0424218 423.1048838 618.3579154 246.037534 1010.31986 731.8432526 578.1479904 723.6348538 891.1579114 910.4110239 612.0722754 711.2421771 754.4203173 755.8208391 374.8881513 437.8440093 679.2676089 870.1702865 815.288256 649.3176201 485.5504102 764.5435783 939.759068 640.4753812 655.2853608 853.6092314 846.0430055 770.9917214 647.4885316 868.5111072 894.0850842 904.99168 993.3839373 649.4779143 748.6071039 803.8296423 282.8719495 668.8437357 591.9594217 775.905708 1173.507378 DL-Benzylsuccinic acid 10902.29361 12073.23665 20621.42024 20515.34825 26079.68086 17001.71614 15692.74776 6909.08699 5503.808246 3063.035586 4711.61636 8190.541008 3737.721963 9017.859849 4106.636311 4499.900083 1019.368268 1674.120295 22536.43158 18435.48512 16975.83748 19247.06732 23231.3047 22420.02059 19761.2638 15893.10671 26405.2923 2888.497468 4477.42247 9281.380942 3948.289117 7796.325534 9992.267901 5796.033853 3246.453105 5107.118857 13900.02837 15720.1021 15001.67231 17812.25014 19788.1795 21357.91618 19432.97071 19576.03893 22370.1557 21394.72056 16163.08382 14157.03747 12407.19932 12571.16834 5065.013291 14784.57532 6847.193478 20058.10491 Maculosidine 763.546864 935.5737357 882.0861801 1064.961232 1716.078738 668.5848579 679.8736979 3555.637102 507.3271283 324.8029865 803.7763416 199.0145428 0.070431407 182.790394 324.4189055 482.6895701 124.7091646 4.07813e-08 378.0462798 243.9105059 1952.39679 3698.97991 2493.781266 946.6906715 2649.542687 797.9964192 583.2525329 909.3331626 1092.80012 751.9793369 1092.709695 1180.816389 436.409221 484.3492146 235.3090082 456.9172207 2401.477056 1408.703979 2295.921685 1222.486639 5343.950313 6493.203534 261.6426493 565.5848356 2669.729848 526.6402652 244.7453642 472.1333179 2596.849605 2326.44129 611.5180238 835.4521355 630.7042736 453.4415843 Dikegulac 3203.414081 3628.589137 2736.749108 5015.17214 6388.160761 2657.655452 2344.918237 2596.697894 1360.054296 3888.942664 2738.42827 4623.09495 3571.668479 1557.966711 1831.195331 4180.503215 370.9784278 499.6542176 2526.551209 922.7914624 2140.066848 4286.647954 5796.398874 1922.912667 4186.633899 3316.610286 1864.485648 11240.22459 7677.964641 6785.122996 8092.662387 7649.795588 9190.72011 12686.39211 4010.260091 6148.460158 12622.7628 2096.972576 3398.055621 2345.713045 3130.909928 16240.3092 1760.817142 4815.958295 4873.492607 1443.99407 918.3658541 3443.515847 4745.081416 9276.138676 8087.330339 4059.249818 6837.543146 2284.835277 2,4-dihydroxy-3-methoxybenzoic acid 1155.745018 1101.947313 673.8498022 1106.174698 1101.859937 745.0570436 779.8694356 1554.332647 1003.46029 822.9152705 969.4737177 758.3436841 963.8412857 610.8089256 645.9183311 819.0983333 613.7482481 1045.949386 1285.170088 934.5070923 1243.458472 804.4841009 663.4684937 631.1882744 1021.822284 844.1931782 942.0965918 692.0783324 778.3439263 948.8884781 657.5196429 846.4400743 602.8592686 1012.368106 443.5443398 789.5446715 1185.917769 908.0617597 1112.827452 1066.179919 691.1899758 920.1099426 654.9701702 988.8622863 1074.563935 618.7077334 1075.052641 977.6615337 1316.926336 1350.571273 833.9592474 1014.166433 897.378742 587.0012341 Glutamyl-Arginine 20983.64194 32591.66379 14306.10361 22757.72248 14705.79709 19610.52955 26421.66116 38533.62385 39005.99107 3933.432785 4099.773961 3585.093113 3504.5999 1737.000576 5661.887416 4747.404887 5508.568242 2069.073502 2721.579073 3354.41109 6811.804337 1697.419981 2798.960699 5452.700713 3137.269648 4378.96909 4792.666212 2996.918931 3924.168835 1220.765127 4366.120414 2376.740609 3214.798865 4692.222076 4397.209246 3623.329296 4332.836254 6771.362383 8881.088817 7932.128079 2698.846236 2746.550198 4906.658566 3169.241626 2113.442224 4326.496962 12298.824 7605.94824 14176.11032 23881.16733 2956.133714 8491.409124 4153.920519 4984.584265 4,7-Megastigmadien-9-ol 903.3433204 465.3166069 965.843559 460.2086512 740.8977493 820.7076747 948.3097283 759.0650407 2175.805458 233.9730292 155.6244023 284.2428241 296.801481 257.3870389 169.0116478 374.9579203 362.3638056 277.6800445 1507.690122 989.0453206 871.8913231 774.6121424 924.9133785 3251.822585 1108.042644 1709.217201 1843.72028 263.8256096 327.5450509 286.6713369 273.0566916 310.761459 221.3333993 166.1078543 344.5648576 290.5639395 762.1718057 773.7436372 750.1914315 399.4266297 752.0506724 351.5603211 1718.255666 1622.57182 1798.220227 1743.779054 1696.049138 1238.844452 795.6605642 510.629063 335.4503928 1446.727495 344.4863936 1531.452459 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one 199.9683339 412.8422676 353.1396378 966.9310546 1138.256041 1773.457252 983.519028 454.2262032 1130.702289 114.0463624 62.91790199 112.7506701 4.07813e-08 4.07813e-08 95.01788333 83.59695744 4.07813e-08 95.06466069 975.2786212 2186.65924 647.7192463 452.7643821 1312.889939 871.420246 582.9145967 861.8317175 795.2980051 4.07813e-08 4.07813e-08 189.7197025 4.07813e-08 4.07813e-08 73.89768638 4.07813e-08 167.4565563 123.7294735 757.8062374 841.6908185 257.1765015 757.7939065 1300.258023 897.5547207 829.483652 1081.31684 100.1571319 1408.759865 990.3774162 1406.318612 159.4627633 107.9981431 109.0546598 509.7295308 4.07813e-08 1159.773853 PS(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 2927.36499 849.5218638 4.07813e-08 1283.820905 443.6066875 19222.56475 1109.215832 1533.665923 549.8464117 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.695472915 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 458.0486638 4.07813e-08 556.9844361 1433.996037 4.07813e-08 1318.964494 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1942.348494 3b,7b,12a-Trihydroxy-5b-cholanoic acid 4.07813e-08 510.3915668 1527.938548 1179.861899 1671.102689 3046.294345 804.3498049 245.9512452 1117.156862 116.5692698 2.009367916 92.75325695 139.795965 592.8446973 471.3212006 133.1601574 4.07813e-08 136.3740459 2502.628816 5251.809279 2867.590454 3574.450009 5135.612986 9477.997879 3298.082682 525.1750365 550.0961741 4.07813e-08 4.07813e-08 253.1827597 256.1501595 308.4642631 4.07813e-08 4.07813e-08 255.1642415 4.07813e-08 494.4009979 625.0024367 1014.053963 3732.323978 2912.172374 1925.38103 6172.087453 562.4997109 336.9890752 13618.44123 5515.823782 3895.526978 388.3766235 4.07813e-08 113.2397348 2423.089294 4.07813e-08 724.1237675 Desmethylgliquidone 3614.697515 1244.092478 10613.52381 1220.891847 2705.099699 13568.77571 4781.456787 4794.922731 6713.67251 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14253.4771 18004.11852 22510.39887 20799.42986 22278.50297 30160.20253 26584.5734 5097.343821 5415.144437 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4395.885995 9791.269207 12216.76338 19649.59875 16722.11944 31544.95787 33165.39293 5716.322541 10329.59091 30373.10056 11589.69402 19497.20432 8955.13575 5755.188488 1702.119637 10781.25067 4.07813e-08 11195.41998 8-HpODE 24929.67313 28330.86766 38153.04325 38180.1085 32130.33461 27492.81875 22292.96229 22598.43733 23130.23545 14367.02647 15886.45796 19336.96293 14596.52907 21922.06822 16793.52986 25988.6539 16632.82902 11385.97499 19538.55418 23113.53647 24092.01102 22427.37744 22245.0689 24062.19266 17526.45899 25116.04649 17145.82308 8230.682261 11106.41114 19584.59675 11770.74831 12569.76366 12991.47864 10484.85189 20061.84947 18244.84357 18520.04016 19983.09514 18341.37138 19094.91327 21511.22445 19068.99881 24590.14154 21063.40817 23557.98793 20150.12587 16512.47989 19075.47512 16508.57282 15980.25437 9798.44274 18597.15137 13567.55911 21911.0405 Pregnanetriolone 761.6962226 425.2214857 627.0389166 948.8944929 944.5770787 1321.197823 952.9440768 569.9200421 417.8025347 3396.515806 7934.143103 2909.953191 1939.312878 8514.993519 4688.651611 6595.030128 20102.88671 902.2735632 1371.518704 526.2065776 785.8530423 1570.095787 1164.777645 1027.648388 815.0576796 601.6843242 481.1074134 5462.535953 1421.960319 23357.74773 3169.97094 12066.19382 7862.04343 1726.067436 11808.26561 3436.015537 624.3037824 259.0935766 740.3176397 1127.063471 1469.509802 847.0541196 1321.338856 301.7876153 741.0218705 916.8135532 1063.598179 831.0034049 472.2158833 463.8583131 3993.995202 554.4265818 5608.336926 880.3020771 9-Oxo-nonanoic acid 405.8548568 629.5789016 498.978867 256.3095587 532.4422003 298.9887719 529.5285549 533.428139 511.7978582 1067.876043 1250.590498 1420.485099 988.9064366 1367.492654 2248.25799 8895.4852 8044.384512 1552.846959 191.6782529 273.9861986 75.61013195 142.5382319 134.3222388 336.3223246 213.9779325 562.9574855 187.4734226 2435.375296 647.0843 1155.136961 1140.64893 628.6434708 1549.029828 1064.276002 6655.654825 1274.847434 281.7426977 242.2177504 161.8772425 95.48677716 135.3535756 244.9426844 41.87039597 525.4066677 289.6389345 296.3428311 303.5205115 151.0094561 361.175044 399.7832361 705.3591796 343.3918531 1311.666107 255.560239 8-Nonen-2-one 676.2917006 699.2860255 828.4458527 473.7810833 660.7391427 684.6431997 604.9298849 672.4505623 808.6633152 393.8584137 771.9689312 475.8941784 567.0661904 567.7856147 964.714938 3440.828812 2719.221 594.90649 514.4419262 571.3898977 511.2539476 519.1925648 578.1732023 627.6160039 550.2329612 565.824 845.831385 817.3238524 661.0526956 814.4226021 743.400173 618.1958421 1014.647909 699.548603 1784.682599 556.1476366 608.5925303 557.3731289 489.4078719 625.7767363 372.6293985 551.1168961 568.7927866 603.2842752 629.3688601 702.215178 503.4630598 527.6357902 690.6135208 790.6268352 522.9787662 634.0195477 957.3907208 728.7499835 13'-Carboxy-gamma-tocopherol 4.07813e-08 4.07813e-08 449.8047955 587.1352158 2014.882076 4.07813e-08 4.07813e-08 1671.268443 3283.032678 3798.326277 2019.895521 1014.167101 3256.293971 3045.432636 1072.578099 159.2484401 2145.289666 4.07813e-08 787.7795574 493.0548656 373.3440291 130.9816584 4.07813e-08 459.0449742 4.07813e-08 4.07813e-08 4.07813e-08 1058.142913 1759.520657 2531.962578 1886.167262 4087.237278 974.4397815 1904.20942 1386.5562 1282.742192 4.07813e-08 390.0565308 133.2252459 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 611.9282096 4.07813e-08 949.9896329 1530.323735 4.07813e-08 4693.98123 4.07813e-08 Heptadecan-2-one 6294.154094 6167.569629 6446.347399 5988.844778 5586.052495 4739.708043 5298.292049 5875.907872 5688.175612 3997.304992 4142.994172 3437.032764 3700.323588 4375.660804 3185.581332 5424.053583 3395.021776 4671.71604 3653.537915 3660.609806 2945.93103 3582.680592 3084.976743 3671.111597 4460.380412 5038.940373 4485.821271 4038.593296 3898.779539 4167.110016 4666.114125 3393.051673 4083.10243 3773.104018 4688.882395 4891.888073 5075.597322 3966.185089 4542.072234 3152.924655 3201.219045 4399.185989 3200.477518 4909.923241 4504.514295 4148.102998 4297.478928 3584.84846 5037.83193 4893.123174 3673.505937 3758.747297 4904.539959 5917.587128 OS-PE 4.07813e-08 4.07813e-08 4.07813e-08 258.4923252 4.07813e-08 315.6446438 4.07813e-08 4.07813e-08 278.8185067 3184.530776 4.07813e-08 5698.876674 2800.015788 10316.26289 6708.252851 257.4511487 660.9429697 50730.95361 6496.21335 10727.17376 3168.132695 2564.920466 784.9957735 2799.093522 2742.073129 1520.955123 1712.23449 4.07813e-08 672.7403839 4.07813e-08 3002.871048 4.07813e-08 4.07813e-08 483.0163458 4.07813e-08 867.9625267 1167.476306 2007.761321 1082.231759 1397.998446 2155.171984 4.07813e-08 1579.957945 301.6471101 948.859292 4227.750255 2848.642901 1015.665347 1123.728571 4.07813e-08 4221.220588 3037.819201 4.07813e-08 967.2264265 (Z)-13-Octadecenoic acid 13165.35789 14055.28478 14446.45034 13538.19138 11954.43731 10901.16251 12061.00922 13617.81649 12157.32827 10422.10981 10351.51041 7503.431777 8854.56354 9838.744394 6318.6261 10596.13189 7661.779272 10195.85447 8347.078064 9069.740608 10017.4489 23541.9068 8485.181481 8653.077009 10574.57692 10256.95823 10191.41689 7969.063139 8803.570797 10510.39878 9923.44722 7892.532679 8835.891309 6946.135099 9257.464123 10682.4862 9841.828223 9148.05524 9014.670552 8850.225531 8349.295723 9284.749469 9702.630743 10631.93672 10618.03167 10573.76483 10704.50182 10679.00058 10840.90914 10698.47156 10094.1226 11520.01228 11971.61407 11404.96301 (Z)-15-Oxo-11-eicosenoic acid 6936.315942 8065.682379 12053.26016 20365.15394 16263.8369 11028.1653 6621.453998 3750.737815 4637.14402 98.84708354 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10.65746547 101.8832265 113.6178938 4.07813e-08 5076.605028 4963.973828 6252.744438 6920.774771 7204.171885 7248.197677 3324.297856 4399.596345 4800.40845 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.97037621 4.07813e-08 4.07813e-08 4473.656211 6857.175496 4400.097773 5767.376186 8045.362814 4716.278639 7833.484048 2632.962342 6857.006162 3021.657593 2518.754003 3692.243195 2723.239757 3146.823592 75.73941929 4606.30688 78.36972859 4717.325988 (6R,7S)-6,7-Epoxy-1,3-tetradecadiyne 2718.156315 3581.995148 2902.223814 3463.990337 2926.748366 3113.188358 2892.40824 3081.607129 2983.894098 2303.029721 1835.91553 2200.613747 1873.597056 1982.352516 1645.974677 2613.071495 1979.866462 2254.731431 2111.861468 2199.224044 2307.273672 2386.268189 2059.320339 2245.970202 2394.777388 2570.600774 2234.407691 1988.317125 2003.638615 2667.993977 2141.558073 1972.921426 1879.810678 2063.69569 1958.032903 2039.499953 2712.803395 2498.818306 2320.585563 2118.963749 2098.708449 2183.040421 2342.048744 2617.152549 2122.289651 2391.352684 2446.725963 2675.396515 2563.281789 2294.040893 2088.503754 2516.413562 2358.055213 2437.123842 omega-hydroxy behenic 9210.04981 8723.356436 8353.172684 6493.115881 7299.912759 6243.287064 6592.009867 7153.829584 8477.138474 5840.903607 5940.174408 4703.139341 4639.193263 5163.572762 3481.539172 8405.457406 5000.298196 7170.198311 4884.164022 4520.210412 4712.187341 4812.596147 4322.04052 5450.226813 6616.89827 7504.382726 6532.775851 5113.92341 5020.38814 4489.178051 5731.817628 4831.579584 6743.24854 5481.133772 5917.925658 7363.649977 5878.187748 5077.886018 4471.787135 4306.449732 6210.969391 5574.669919 6391.70992 7088.77028 6621.61209 6155.316694 5951.83467 5132.900415 6722.527459 6508.453304 5237.843032 7276.293881 6951.315065 8164.82607 PS(8:0/8:0) 3211.290009 2614.076675 2789.622846 4011.139546 3672.284771 2835.909639 3214.2462 2508.618446 4467.06913 2894.571058 3775.413749 2735.772197 3157.452281 1704.441939 1756.776106 895.8693993 2436.681408 2044.002846 2437.781742 2385.413543 3244.573435 3356.742271 2014.571372 2656.630028 3139.10364 3558.863115 4590.490656 3608.120101 2454.183148 3962.202655 3002.558915 2455.151279 2707.980489 2845.958858 5321.396611 3093.494907 3851.423292 2244.705071 2553.068267 1529.617825 2214.916946 2007.870707 2669.979752 3111.513509 3861.837507 1837.707625 1492.089414 2503.200953 1187.397743 3086.017256 1981.729446 3235.720657 3639.736086 4142.892366 Absinthin 4.07813e-08 4.07813e-08 1418.456121 1800.936273 535.8777011 823.6068686 4.07813e-08 4.07813e-08 1712.9357 4.07813e-08 4.07813e-08 1984.959189 4.07813e-08 1022.49192 401.6585973 4.07813e-08 1536.336724 540.7671234 7096.409422 11122.65451 735.1138965 909.3805778 4.07813e-08 1431.015626 730.5370931 4.07813e-08 4.07813e-08 4.07813e-08 2717.96986 4.07813e-08 635.3306305 4.07813e-08 4.07813e-08 179.6618127 562.1862401 222.3327765 4.07813e-08 1639.410965 4.07813e-08 4.07813e-08 781.6167859 4.07813e-08 173.2688714 4.07813e-08 8.232114393 1367.042364 6928.869841 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 487.842016 4.07813e-08 217.3022022 CAY10408 6074.745115 7977.242883 7102.62234 10737.3408 5763.204152 10500.09896 9846.768067 9710.726543 7132.751465 13855.04964 6230.021343 8111.685134 10339.02874 14665.41122 3429.049152 4270.471404 6055.510524 6895.033667 7666.079931 9075.845618 5901.352287 9217.488035 9022.795697 12057.6227 6738.177819 4626.531597 4735.426383 946.8721674 3266.577927 2776.139498 863.4857358 3609.469337 1595.957242 650.973362 3128.678982 1631.506091 4628.283151 7525.018048 4374.684771 6898.278495 10696.21781 6048.151996 10900.14104 3236.04196 11544.58689 7339.033203 5810.597015 5420.398211 2352.412819 2082.979625 1374.469897 6198.656808 2921.880068 4686.058373 Zinnimidine 712.1194548 99.92434125 1037.112038 705.8504209 488.768078 3012.788361 2253.147431 116.1020124 262.2312276 83.16009368 1076.075108 120.3981672 287.9823015 95.55070695 4.07813e-08 2393.529286 73.86104055 4.07813e-08 1168.384883 669.4765107 2266.842679 2798.597814 1956.273267 1282.121251 168.0724821 1955.291474 3079.621589 119.3122846 125.9489569 2670.252986 163.8740457 1390.731667 4.07813e-08 75.88560165 4.07813e-08 142.7516144 4588.786179 1211.584242 4970.456466 974.802213 2669.446654 758.7321422 1320.697778 1102.714038 2484.379662 615.746381 545.8864402 2054.552268 961.5667678 635.2284545 4.07813e-08 427.7128256 932.0676669 969.6948318 2,3-Dihydroxycyclopentaneundecanoic acid 331.5051315 914.7913795 891.3379658 587.5636634 608.3692844 2810.795325 608.3767367 424.0553809 257.1414632 224.0023066 4.07813e-08 207.5268268 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 202.1259291 4.07813e-08 436.3439046 941.1759008 599.3532726 484.816722 790.6992501 4641.695361 512.3983869 290.9714519 1297.342585 4.07813e-08 71.14738572 79.44403626 4.07813e-08 4.07813e-08 4.07813e-08 78.47368039 4.07813e-08 80.45085666 162.3548032 1360.391142 75.97374781 961.1712558 497.6657083 211.1889343 5037.90513 955.0723557 1438.419955 1732.509017 1334.704178 1476.931091 461.4753166 4.07813e-08 4.07813e-08 633.8362282 432.0930042 721.3927371 Alpha-Linolenoyl ethanolamide 3666.07393 5613.525713 2166.002 1938.250097 2079.860219 770.6983762 1186.740785 1288.920338 1483.137052 2208.437245 2668.706148 3452.399817 2635.074234 3714.798878 3507.158878 2341.829055 2295.11427 1887.217684 465.8475986 398.4451229 599.3576517 1727.629104 1470.794829 879.9549841 1232.918093 3170.610181 1649.385869 2461.68624 2746.223012 3194.81149 4588.512576 2303.072212 1827.718877 2982.450722 15866.12104 4076.339302 1118.414828 1546.77052 1285.327036 1164.324648 402.7269782 1209.760997 795.2912301 1813.054569 2688.637072 1085.403061 553.533273 869.801169 1036.703967 1177.505257 2104.649432 2455.902776 3273.470224 1188.609266 Dihydroceramide C2 19785.72551 21419.86428 19828.7934 20659.85469 19678.14824 16017.59507 17124.14602 18786.31747 20813.92762 13634.12436 12166.94765 12763.49536 13414.51648 12470.4129 9970.524926 18202.95773 11126.81553 15632.47722 12678.99368 13732.45681 13068.25461 12800.5334 10099.47016 11779.12968 15142.07537 16606.68256 16796.81579 11437.53103 14549.12581 13947.5609 14070.74048 13867.5686 14787.51378 12665.35556 14918.1312 16352.88786 15652.17643 12367.69625 12384.39431 12171.07244 12526.40327 15031.58829 13605.79789 16340.6304 14496.0351 14436.39623 12540.00193 12402.38124 16108.9917 16505.70398 13022.40834 13127.13378 16053.61087 17673.84652 (13R,14R)-8-Labdene-13,14,15-triol 145858.0652 144230.649 143446.2004 142784.8643 136039.381 113634.1199 118352.7816 128577.6498 130520.6134 94965.06201 92002.32437 83803.11934 97948.01424 93090.12012 76569.09869 109035.9122 80863.17506 100706.2123 90399.47458 89460.65177 90080.37303 90988.37659 85231.8805 88326.79976 105626.8749 118342.6526 105824.264 81796.6949 102736.9301 104088.3903 101860.3387 96568.96617 92361.59646 86057.28165 104502.3712 108722.0489 109717.5721 90178.88291 95147.8129 83472.70992 84770.01191 92631.1656 93307.18629 122302.6299 107712.6902 106326.9365 101915.4717 99467.3133 103314.223 109267.1947 79914.34027 101588.3568 114746.2268 130850.4093 11,12-Epoxyeicosatrienoic acid 13148.53357 13110.2656 18910.02996 17918.25729 14886.10964 15265.8815 11425.1134 9946.289453 17275.53711 32285.21305 22229.64828 14658.41122 27351.70252 9944.977954 7403.941793 16781.20891 12286.86541 11865.78256 39792.84811 38646.44967 20749.58925 19974.63647 12981.29441 34975.60903 23995.72557 51901.50083 19376.94147 12805.63298 22546.51863 22022.2794 13188.75181 12845.01236 24690.72408 9667.46913 18465.46369 13916.45597 13984.08476 21621.86883 11944.74732 12131.22081 16488.40424 14473.53927 26677.83447 38147.222 38596.45296 31114.3527 24645.92601 17472.29595 9980.18699 8194.433396 10284.20744 17119.89688 24255.00983 13741.06811 Karakoline 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10681.0015 23316.74377 13269.50616 5368.943429 50404.61465 2816.832025 17769.24401 8866.289827 9162.821424 4.07813e-08 4.07813e-08 4.07813e-08 15.89705187 16.04270438 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 521.0547758 5006.341763 8730.514373 9820.031098 2278.555719 2568.568709 2479.957801 9890.243018 23746.66265 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.75828164 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 964.8268636 4.07813e-08 18850.78364 4.07813e-08 Neodunol 7734.92005 9055.884478 7637.943777 7769.120323 7582.658377 5916.881166 6833.024257 6693.857771 7493.605343 5724.71235 5354.601812 4954.250764 5614.408191 5079.524002 4414.825607 6759.397204 5224.140739 5486.297961 5686.32143 5178.727122 5084.47824 5573.18081 5117.077927 5130.449538 5754.142573 9455.970159 5872.762136 5087.238633 6173.065558 5983.511197 5452.481757 4792.224856 4884.025901 4752.89041 6183.205079 5891.01025 5871.027627 5095.88869 5671.169718 5074.808338 4990.994457 5464.708932 5759.632296 8954.770885 6608.734003 6240.824941 5938.571564 5575.808396 5947.870849 5501.43509 4174.394434 6093.4162 6551.990728 7664.317766 (R)-3-Hydroxy-Octadecanoic acid 231284.8816 226752.9967 219322.6964 215658.325 207080.9232 180206.5605 190757.3532 203701.6706 210144.7726 153786.1328 142461.6804 134569.6488 141754.6655 144927.9792 119750.2541 187423.345 139294.6722 157990.5469 139331.1569 149872.2759 145139.3287 142633.559 133170.3464 141153.4155 161714.9703 181341.7458 172558.3275 128235.4559 150741.0437 172025.4507 162642.7172 138471.6599 147768.7745 129147.3527 160683.0306 174551.7388 176612.1012 141973.4503 154376.2002 134726.2432 133817.3249 147560.6878 149243.6349 188099.737 164766.06 168945.8583 158022.3429 153213.2998 171044.0551 169751.2516 130515.4094 168080.043 182472.0603 200458.9401 1-O-(2R-hydroxy-hexadecyl)-sn-glycerol 181261.9678 170492.1347 172303.5876 169963.9815 161086.7887 137198.6225 148570.1346 153592.0757 156566.658 115881.7687 108541.1009 104548.4117 107284.8186 113360.6852 89399.99505 147079.8437 105176.8029 117860.0971 125026.3597 119009.9354 107200.6837 114757.9305 105046.1386 119739.805 126459.7492 138757.2295 138917.6151 96364.79081 115410.8866 124710.9998 131571.6269 105992.9288 115387.732 99194.3292 120002.2804 135535.2091 136529.9183 120748.6815 116339.912 100875.6597 107639.6691 114771.6897 115848.4241 148267.0013 128527.6405 133959.6407 129727.5554 118365.6986 132082.9152 122802.7038 100187.9224 137731.608 129331.334 162925.1909 (3S,6E,10E)-1,6,10,14-Phytatetraen-3-ol 46458.50103 45358.25202 46359.9219 47768.40612 46897.564 43670.84246 42740.31105 41102.54759 39286.32342 37138.28428 33101.91611 29560.21621 30194.62919 38109.73139 27296.51725 45019.7681 32370.16119 32337.63995 29809.93331 32124.1471 31576.0489 32461.40559 29314.64635 33049.22896 31400.02019 38878.08666 36037.42619 29554.11839 32013.20098 38340.26371 37556.30496 32434.54475 30123.66857 27369.24625 42041.27328 35351.71982 40121.30098 33641.58608 35761.4875 30020.60281 31047.32906 31577.76447 31919.91629 36231.93945 34762.32768 39729.28472 34351.11617 35849.45325 34963.96135 34335.13608 27329.81689 38012.08457 40870.32473 45506.70848 (-)-alpha-Bisabolol 4275.079376 4558.477001 4872.223936 3614.793626 4744.351056 3213.195428 3466.334717 3691.096346 4118.349502 2600.887978 2277.888465 2694.755746 2649.269863 3411.178145 2817.154863 3191.263559 2320.428423 3094.829991 2419.326259 2865.244578 2690.767756 2917.937552 2748.334406 3160.910777 4017.82418 3210.80009 3794.333346 2364.459357 3037.277685 3459.573344 2999.571453 2983.312296 2841.079621 2462.411557 3457.781792 2866.366203 3372.446146 3205.18381 3060.811131 2972.782186 2911.301209 2374.077124 2599.735644 3666.535148 2255.780991 2932.357125 3012.196876 2911.462097 2189.45826 2314.417454 2812.669178 3388.785853 2678.098402 3304.099332 1-Phenyl-2-(ethylamino)-1-propanol 293283.1276 285141.729 280665.1992 286254.2384 283359.9943 252204.0641 263789.4081 259295.5371 266208.2309 185609.2275 177953.3628 171246.0894 183567.1644 198572.548 165624.6339 220669.5825 171000.276 200200.4349 190893.3281 196236.5183 188667.5911 198807.0168 190598.5538 196969.4441 214536.8962 239132.3961 221001.3053 167333.23 195211.2208 221682.0906 221330.4277 198958.6674 193223.4984 169695.2622 201432.9174 216345.7821 231939.2542 207089.2727 213266.3921 191947.1172 179519.9321 194666.9809 198610.3051 239994.0844 210948.7994 237493.1137 223248.3102 219466.297 218542.9882 212442.0238 165563.2914 214573.1937 216332.1567 257943.2762 Propham 5333.151423 4426.231929 6344.176381 3576.140016 6698.832143 6423.17878 4978.569304 5841.342368 4155.68777 571.7421103 459.8695833 266.3612063 603.6304402 392.6706804 436.8193696 180.6207366 1415.587487 341.9417008 15021.35707 12634.7126 8559.634062 9980.84303 15041.54585 17885.85228 13801.72574 18785.83489 22725.78731 1121.233014 466.2420435 407.5518759 344.4911851 905.2201731 544.2865529 645.1329241 305.2601559 324.8414074 8639.187346 8922.379155 7399.631893 11892.91594 12964.29091 13878.25074 15670.9673 19234.28022 14971.28465 15456.01336 10660.91342 9036.49455 8486.696646 7863.374036 747.0826086 9474.049733 499.9918705 10850.89076 Buthionine sulfoximine 2839.427927 3477.119706 2344.673323 2780.998042 2317.67186 1893.132205 1743.523261 4636.519092 2660.736921 4.07813e-08 25.60136734 37.7749681 4.07813e-08 4.07813e-08 72.54269529 4.07813e-08 4.07813e-08 4.07813e-08 4686.844393 9223.670787 4291.266354 7331.622093 7794.003228 5798.220193 5172.716812 10848.6009 8216.112946 209.4366499 4.07813e-08 269.9290683 60.94791062 400.3734693 122.2315341 138.8100251 4.07813e-08 4.07813e-08 2547.299308 5274.122783 6441.504196 5087.888642 6770.243627 5789.107777 6332.189441 10812.73071 5936.325999 4420.425897 3109.463068 3536.084968 3851.988055 2701.841269 816.9096568 4341.114366 80.30383178 3500.122892 Prolyl-Glutamine 557.6204447 4.07813e-08 601.8626466 309.0434733 553.0105657 691.0834347 98.84966938 152.1160072 203.4067263 950.7629456 1430.022448 2316.322275 583.6367599 383.533378 4468.645477 5506.157637 1525.956028 273.0590003 1314.363308 1939.410607 792.1597482 1486.225826 2569.749002 2382.812828 2134.930905 1897.264263 2077.86977 378.10851 1580.130831 1192.652164 3115.099357 919.7268167 2004.293106 1507.955483 2206.065447 2784.450832 613.128225 585.996123 965.4393335 2436.20436 1322.644948 2412.951261 1627.013543 2201.393658 3379.772508 854.8205577 283.1923375 602.3978197 492.0806062 562.5364216 2059.274485 903.3819823 1493.106149 1161.282798 delta-Amorphene 4462.205157 3824.59955 4299.39914 4084.811001 3880.129858 3190.68409 3183.928234 3492.375133 3561.182036 2583.030517 2209.564507 2249.279115 2623.791843 2615.638516 1929.108979 2976.31417 2227.615937 2896.392511 2395.514059 2979.584905 2394.674521 2831.410281 2311.759219 2600.095106 2941.493964 3404.761335 2998.637269 1710.672535 2317.868686 3050.678611 2813.361567 2981.497235 2375.132037 2274.325462 2646.017974 3218.11641 3056.965158 2671.411201 3082.539989 2396.114054 2541.992514 2470.395541 3032.376852 4407.252572 2999.905551 3231.683252 2612.465932 2709.297282 3164.760875 2861.45958 2626.779763 3313.872212 3306.207664 3578.058873 Homoanserine 10342.83533 13110.00561 3307.565788 4036.186344 1962.281507 1037.33077 6284.438078 9388.757607 4950.200536 227.1744247 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2688.29054 2980.926129 1736.169118 3004.36628 913.755708 919.0526531 8219.659007 1712.413163 791.1847974 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 92.88359561 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4470.693118 3353.315661 2531.969843 2312.459768 2405.453042 1453.713204 924.9706452 1425.114186 3124.426205 160.4138693 1094.748637 1867.285351 2276.87454 6348.084777 4.07813e-08 1789.319095 4.07813e-08 1896.244685 Melatonin radical 8638.292073 5583.146606 10230.7372 9166.634047 10216.30496 8688.495065 9293.292531 8005.206997 5958.480369 149.4085843 457.3054862 469.1246132 4.07813e-08 191.0493466 654.6776712 451.0678428 4.07813e-08 4.07813e-08 17996.72874 14410.82438 7758.506935 13696.55651 18795.69769 19315.06509 17668.25341 20413.32446 19015.48386 902.6476513 339.5998386 468.1732556 897.6085301 1833.5325 1279.873196 920.8683767 81.52385051 292.2911365 10400.66193 12164.98243 7039.509299 16339.77256 16136.46944 17340.68495 16826.75116 19373.94808 22579.61486 11856.47417 10326.60367 10903.29175 8793.722335 5805.387861 820.5789989 8848.460596 1176.369806 14244.16555 2,4-dihydroxy-5-methoxybenzoic acid 2554.444709 2639.057904 2413.250306 2255.321508 2523.1585 1839.721053 2112.165118 1807.169137 2150.455483 1559.548406 1655.345785 1324.786886 1394.261358 1396.786641 884.2912505 1943.304063 1356.79236 1764.748269 1405.427049 1586.102828 1774.074665 1668.298971 1284.441914 1492.075544 1947.669139 1353.880961 2233.554614 1154.569046 1371.905505 1343.716015 1521.652634 1318.507872 1636.986068 1464.142482 1637.523763 1747.269075 1608.338448 1632.513839 1275.281704 1492.272008 1626.949867 1527.394328 1962.454646 2142.563504 1499.738657 1842.039277 1750.994727 1635.731495 1995.173642 1448.560678 1424.930776 1646.362518 1680.031342 2085.419369 (+)-aristolochene 14696.86446 14034.5541 13063.29873 13914.73041 12767.96667 11249.47347 11138.15073 12372.04826 13232.64389 8280.835482 9767.362424 8654.101539 8357.548153 8526.92779 6737.919401 10259.84075 8080.643609 9264.997668 9127.167791 8960.804645 8660.757262 8447.627614 8187.799898 7952.870282 10043.80469 11819.23279 11096.54803 7918.076382 8980.979218 8928.989355 10007.22396 7418.035693 7945.206988 6991.91871 9648.895686 10583.91458 10533.17248 8847.318389 10453.84233 8551.610764 7537.405713 8609.293951 9256.82057 10522.38646 9976.528756 9896.537842 9169.284341 9007.050102 10169.19054 10299.37089 7239.201806 10815.34156 11325.58497 11684.40116 Anhalonidine 10607.58343 4949.623633 6042.896493 6375.432221 6713.771551 6094.871023 6312.82423 8992.147569 6902.618817 78.85544363 112.3965622 70.30209512 920.7663434 127.1360676 4.07813e-08 49.89621166 331.3324721 1915.327111 10302.99346 10485.11855 12050.41217 8849.909248 6771.381778 6088.246403 9194.576614 8552.848797 8121.230304 269.8545531 163.4865708 216.9866564 4.07813e-08 357.3439537 95.27694613 37.31280395 4.07813e-08 455.9634868 7278.463595 6390.129406 6630.714109 9450.840319 9367.684775 7232.153639 6057.726437 8176.735795 6799.954057 5331.493736 4495.165645 7135.120856 6463.622997 4487.669579 214.5762168 6175.252312 4.07813e-08 6661.924821 Hydroxyatrazine 243.1761973 2132.254078 4.07813e-08 530.2130796 934.3238967 419.944878 1598.521632 225.3220936 4.07813e-08 5219.29899 5810.852883 7351.647988 5526.830855 6413.15739 3705.107827 2967.286975 1427.039998 2666.34938 108.0036203 133.4720535 52.80966056 59.01840871 423.5321418 287.1385106 528.0526155 114.9839687 388.8366644 2323.234492 2690.484501 7389.503792 2390.045593 4479.728687 4986.814302 3329.522817 2849.749031 4868.777101 1566.927185 56.59956517 538.4243563 486.4232519 161.8339804 175.7351847 155.5308343 403.2513081 217.5521513 4.07813e-08 116.5121772 435.090388 4.07813e-08 474.6142127 3077.781029 430.0641605 2813.03248 239.5609956 Bisnorbiotin 15002.8085 13563.85293 8958.543877 5360.105266 5634.145104 9287.830624 8302.704138 19035.05516 16416.71043 8667.771469 6224.238142 2794.794974 8020.698704 2035.479568 2856.076725 828.2285371 3450.753121 6654.232055 7589.394149 6925.684264 6842.475015 5967.558009 6761.875292 6681.795424 5722.10554 8310.071641 7433.680572 2142.115354 2505.580659 2156.625047 1551.617793 2438.845639 2393.67025 2971.561216 771.9251713 1831.139978 4650.544327 6875.956033 5401.491774 6259.271548 5530.102981 6589.954947 6417.263623 7843.330257 10121.85739 5153.818748 4429.9253 5305.170155 4897.305626 4485.506505 3077.004144 5097.639036 2046.903912 5099.288837 Allyl nonanoate 10651.49778 9560.252447 12175.48056 13310.50224 13025.85813 10513.22124 7975.409292 7953.44805 7469.091595 3516.531075 2653.943867 2867.768907 3676.84155 2603.348121 3044.32845 3444.063213 2948.693018 4017.220503 15938.83289 9784.993296 14093.51315 12471.64486 9488.671716 10269.77806 12035.66842 21746.25654 12667.392 11877.5655 5991.044546 6493.000024 6885.386178 8441.939732 7251.217993 11475.86336 4059.093983 4742.342017 20071.22354 11515.86559 17408.92298 12401.50324 10588.26875 10566.03352 9105.483595 21803.04921 16429.03913 9637.882839 6445.851174 11490.14431 13715.86836 18439.56084 6512.684845 13395.18701 7597.510451 7594.807595 3,5-Dimethyl-2-propylpyrazine 2779.861737 7460.693191 1696.915013 1259.531484 3400.358233 2600.820042 1738.991312 1448.912818 1296.122677 1668.622703 1717.119861 25.25258765 2899.804273 4.07813e-08 23.06992359 1646.557025 284.9502913 4.07813e-08 6374.659751 6470.260886 6221.147402 3499.442308 6809.877143 8439.814622 6123.619707 7622.691616 6956.30576 44.13410092 44.8434188 442.4435339 526.6824832 199.1123978 187.2071467 2292.742557 1094.257169 1134.226218 5417.43256 7019.112164 4805.321305 4156.179112 3250.551994 7644.464226 8844.048262 9782.638741 5305.7939480000005 5220.427118 3759.315865 1803.78954 4770.565176 10202.39565 664.1460812 3106.013535 3545.84159 3973.909 Pelargonic acid 345.7421003 481.9551282 588.0574218 596.4246079 521.8909949 477.8894599 457.4971682 620.7650763 452.1503353 265.7952638 339.3366388 238.64241 226.793622 262.0468063 180.7333439 468.1438918 283.87522739999997 252.7850394 339.9570875 285.2349351 319.9559471 277.575442 149.5098425 380.4732914 302.2627569 337.3610227 322.3605089 359.1395806 452.5148042 289.3909823 379.0151221 190.0729523 262.8008386 224.9981211 247.6535753 299.9133238 321.6862615 269.571712 288.0379718 174.0372005 297.8607479 186.8064002 378.0444853 531.517896 340.1404656 282.2659266 316.9194859 266.9418191 361.2117639 352.6782144 341.0797652 377.8261707 420.7770775 402.2629461 Methyl 2,4,6-trihydroxybenzoate 5160.689552 4850.215788 4490.491248 4727.82649 4117.727984 3590.103518 3495.866321 4945.72925 4693.158969 2850.587517 2729.665733 2875.63091 2739.468611 2707.449177 2318.074435 3698.402895 2721.436628 3567.883999 3220.012905 3248.11531 2989.942128 2791.017922 2593.860225 2878.945692 3734.972205 3979.792352 3727.601225 2625.406133 2969.004636 2977.364632 3185.968183 2914.488615 3558.31581 2522.07514 3278.433331 3517.367076 3595.389292 3145.870454 3017.655464 3048.777171 3226.09073 3243.791225 3395.104717 3881.661523 3757.32535 3274.114319 3061.569512 3259.964942 3668.302241 3600.041532 2585.196848 3558.159005 3698.63604 4130.931981 ORSELLINIC ACID, ETHYL ESTER 3782.570843 2410.586747 3353.067802 3383.11347 4257.841087 3092.234553 4084.967088 4159.732274 2741.030399 1088.534302 537.3977058 511.6349734 873.1927088 382.0041697 687.5324348 525.0104887 305.6927416 659.0759629 4930.120942 7590.943602 2873.440839 4041.138467 7490.283083 8164.274627 6609.53817 5490.21533 8003.022245 590.8473404 653.0841441 824.94316 614.8642903 918.3516994 837.5263021 868.5005366 528.498483 943.9952722 3745.946497 4614.855431 3009.767124 3962.282587 4327.897978 5918.38182 7655.072003 5469.686815 6800.232861 6843.039728 5713.878442 3926.567037 3046.941932 2334.290349 891.8103197 4139.122992 775.0814797 5919.561264 CAY10550 106.1011385 2.023234849 0.028424963 7.16252558 1.260024864 2.337623088 4.825393516 5.040036125 1.413280409 4.434567329 1.418518335 1.307159385 4.07813e-08 4.07813e-08 0.667574063 4.07813e-08 1.227993764 0.625433253 13809.80781 5964.171356 4539.225306 4888.875054 7586.861415 4396.106237 2253.367364 954.5615416 4089.167488 1.277955521 3.97841428 1.282800133 4.07813e-08 9.248353126 55.81946017 0.878246946 4.07813e-08 4.07813e-08 1126.31752 5475.377031 3725.791535 3798.709062 3967.926529 4307.160182 3215.943672 914.0347396 1852.896586 12.56367506 2339.116769 2321.267853 1780.68202 1304.193432 54.93495807 3547.719941 4.07813e-08 606.3121019 Valyl-Glutamine 14416.65055 12213.10653 9082.728734 5722.876981 6141.625985 10459.17963 9435.946537 17569.56605 16985.51205 7726.650934 6140.428684 3103.274308 6952.658158 1893.889161 4361.204924 733.9592445 2842.304404 6380.429233 14517.45147 14047.14974 13340.68127 11157.44009 14085.77521 15951.40407 12311.68413 17516.709 16191.19443 3820.693311 3685.020683 2574.836392 3378.649864 4558.524007 3990.351238 5747.932761 967.2330079 2088.107939 9560.272156 13197.78627 11074.03553 10942.72746 12536.70536 13123.8946 14236.54152 16208.70091 18684.08596 12965.3343 8660.021661 10109.45265 9107.273044 9702.838338 5237.447686 10890.81046 4637.621991 10860.26674 Secologanin 4.07813e-08 4.07813e-08 4.07813e-08 7.975658642 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19697.39514 16990.65619 17013.19856 15945.40045 20322.30108 7708.318649 9502.382115 5970.942165 1567.342036 90.43178635 4.07813e-08 4.07813e-08 72.33521802 85.34370321 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7294.068963 12999.01403 12705.74422 5062.755102 7019.129363 13371.33679 12228.92919 5551.586591 8001.726455 4.07813e-08 111.0608409 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.33890236 4.07813e-08 4.07813e-08 4.07813e-08 0.040221958 8377.888327 4.07813e-08 12481.83865 4.07813e-08 5-ethenyl-3-methoxybenzene-1,2,4-triol 556.9751735 716.6142506 776.4716655 1168.057876 611.9569672 887.0629969 894.6856729 570.0085778 392.9488187 410.9115206 276.6469303 263.2751311 409.3397924 520.3398048 283.674241 291.2847393 379.0618481 507.6517183 633.51791 560.6250225 747.4144211 616.9467688 591.3909677 444.0096069 568.8251456 761.783844 608.5767839 316.2075774 378.3039505 840.1403544 150.2007431 466.4650579 339.399942 576.9523662 402.8406058 543.8960268 778.5959407 748.3775845 701.1431672 854.1212964 390.9792281 631.5125913 619.826416 650.9603661 745.4545269 493.9153485 828.5928397 462.9178161 566.1588144 511.9231942 375.1788249 731.2861432 188.0815563 735.4036856 Nevirapine 119.8455417 547.8810402 4.07813e-08 102.817878 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88.1675621 18157.44977 11515.30033 18276.17448 18374.91708 9076.816603 3344.431048 3200.714518 821.0561349 12005.71285 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13304.11643 15552.03365 13841.08443 10616.37831 11853.7538 21464.63438 13773.35855 3866.221111 5174.509543 273.9049291 80.99542346 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.5300073 177.2110017 168.1411268 72.23788626 29908.93604 4.07813e-08 5967.268461 80.55947586 Hydroxyphenoxyethylaminohydroxypropanol 3155.912355 3304.317294 2402.087084 1137.037006 3699.70944 1742.168268 2841.546924 6809.295191 5841.086615 6471.062652 4998.648068 4104.236217 6074.561339 3659.721735 4353.375621 2968.286511 6974.322279 4966.088872 13618.29823 12793.69078 8757.73726 9055.082673 9550.150419 10780.11222 9070.580563 15244.63829 9448.946661 6187.3838 5724.156169 3767.571642 4771.629641 6861.620368 6384.896423 6655.086076 2612.69573 3514.235983 8151.566878 8179.731031 7977.256299 9266.299342 9981.151474 9634.771833 10921.41533 14786.12892 14662.20338 7777.431214 8598.036394 7026.597267 6864.376414 8108.878455 6618.063244 7545.064986 3712.00341 9761.346962 Ethyl 3-(N-butylacetamido)propionate 431.1680943 530.9478488 1449.986361 1199.062596 698.721148 2266.873864 1029.945371 891.5759631 1170.885078 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.46891393 95.46426046 100.4450386 4.07813e-08 80.70311787 2413.080395 1252.842442 1027.06719 839.4373459 645.1057051 3844.575099 1874.173224 1800.005847 1832.335356 106.9096293 4.07813e-08 353.4710543 38.48503172 4.07813e-08 205.1687512 260.4282312 6.063079328 4.07813e-08 1770.343883 1317.059594 1013.739831 1800.430888 1378.219544 920.0728741 6154.508747 2955.059857 1017.803681 10091.86337 5559.168909 6605.200667 2149.196631 1280.896059 88.0919168 9415.497041 251.2138261 8515.097318 JP104 391.7107577 2617.487993 4.07813e-08 2665.961809 4.07813e-08 467.7090527 748.5700772 1557.616684 2863.765898 2812.914477 4630.919105 3088.230883 5014.665082 4022.999801 3324.175554 3778.223415 9457.474639 4692.265568 725.2724799 413.4036792 1514.442094 0.851358821 760.9762309 4.07813e-08 129.4591734 2.563072105 578.6357068 8133.813963 4958.048094 3328.60354 3818.294503 4752.440679 3251.417206 2614.00699 9486.319101 8813.904878 4.07813e-08 395.6017671 313.1503393 211.1897027 4.07813e-08 111.2552876 156.7724739 4.07813e-08 162.2856883 4.07813e-08 903.8663161 253.0459565 749.7411737 849.5249973 3919.269573 4.07813e-08 1342.284208 4.07813e-08 Caffeoylputrescine 11932.45007 8275.749792 6735.9614 3726.266603 6073.73505 7398.034152 7003.558704 10484.27722 9774.112482 3947.086077 3267.735264 2949.536988 3871.741123 1969.591451 2117.711335 1271.061879 2308.933893 3592.511668 12774.37775 12283.52575 9519.669537 10968.78497 8448.889402 11023.99464 10546.26224 15139.19488 12068.32731 2511.818639 3175.999183 1901.504368 3031.156989 4787.776142 2132.780028 2975.302831 1291.976241 1916.107918 8816.431236 11050.49429 9096.713943 10702.6571 10157.54189 9629.986589 10833.30636 13830.72547 21309.39251 8483.277257 6756.705897 8114.3576 8448.74127 8169.001084 2804.35423 9060.910515 3447.585571 8919.146327 Indole-3-acetyl-beta-1-D-glucoside 1331.052366 3210.475843 1055.2121 3325.159552 3545.317239 2161.087877 2759.332027 2868.98136 2728.271675 12878.14003 8929.990901 10343.5281 11777.33419 10758.8994 13586.70736 4654.713957 10105.02576 13644.631 1561.60763 1589.879841 2067.977327 530.0380098 1697.967824 397.9642967 1774.309893 2442.505828 929.3230478 15926.72978 13801.25916 12480.01598 13867.60169 19956.59058 20638.74066 21296.84546 12289.49488 9392.363392 1156.780753 1261.915506 792.3707348 1896.652834 1299.134257 1926.943328 1595.143638 1405.582921 753.8104176 684.8016666 1123.820053 1155.266648 2229.088059 2894.910881 23283.79855 961.7257349 12902.5243 621.427631 Dimethylallyl pyrophosphate 15741.06989 17528.34706 15999.96338 14797.66014 12994.04166 12415.93797 11992.00116 20427.28414 16941.78825 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3361.340488 2097.486329 6379.996684 3909.779931 4367.490904 3457.807463 4968.711969 6413.483518 7057.888672 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3475.402337 10159.894 11071.43662 5087.584048 5607.632296 3848.109415 7839.491704 8120.151996 189.0690774 3814.1877 5058.542217 8045.199376 15099.66554 14256.64361 4.07813e-08 11651.52322 4.07813e-08 13332.87498 cis-2,3-Dihydro-2,3-dihydroxybiphenyl 74.74360414 4.07813e-08 49.31759182 106.5237803 4.07813e-08 68.52603908 4.07813e-08 4.07813e-08 4.07813e-08 780.987783 690.9244522 1222.307686 722.2470584 365.4632062 269.397719 520.9291427 1821.392508 2170.729596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 57.35521615 4.07813e-08 138.3250694 909.101326 1581.766199 3013.562628 301.5169827 912.2005238 1316.453162 1066.031549 2207.5487 3806.588235 91.76514508 4.07813e-08 58.95473367 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 83.47225998 4.07813e-08 4.07813e-08 67.72368725 4.07813e-08 4.07813e-08 1328.751748 75.58150813 1528.907606 89.83552094 3-(2-Hydroxyphenyl)propionic acid 2766.313147 2381.278845 2209.927302 2164.21575 2632.399245 2456.145137 2171.502532 2550.602028 1878.607318 953.9245142 736.6585222 965.1242716 953.5380963 730.6994036 894.2065002 971.2263771 571.4761196 639.7871587 2706.370151 3386.395854 2191.241135 2881.379508 3828.025102 3857.642912 3538.804169 3442.212321 3876.912262 587.9560786 728.6161286 898.8650962 858.8368001 891.1655428 1393.749107 914.7207013 733.5171678 747.5099019 2240.594044 2921.985222 2282.055542 2502.061425 2225.422614 2966.338875 3970.723484 3908.835044 3906.095318 3494.598881 2462.49483 2100.846941 1692.085807 1902.260098 845.9587693 2290.166371 892.6818767 3059.129553 3-methyl Benzamideoxime 1094.159812 722.6833191 518.2037063 766.1117725 855.2615235 1028.876276 475.2400629 1125.395451 989.7474888 429.547705 330.7593183 121.5693081 588.6047625 119.2624851 371.6912919 145.0440218 494.5986298 595.7334037 1227.586748 1046.482551 1385.286745 1511.094941 1184.297719 929.9753782 816.7745095 1988.949137 1051.202531 424.0741337 489.0112424 388.1149576 704.1778067 558.8575529 203.6940595 716.1776374 345.0762702 204.1546777 1897.965517 1067.11477 1522.687807 955.9069224 974.8913872 1056.792056 1216.637172 2012.592356 1651.463047 833.8620947 531.982566 815.7985384 984.1030729 1066.953675 419.2805141 716.7752802 348.2254221 706.6276517 (R)-Prunasin 7691.808964 7783.232788 6495.65711 7675.82249 9374.094768 7183.077861 8960.970037 9578.156367 6829.699255 4662.763031 4567.897759 3058.800523 4899.037002 2307.295074 3167.99807 2084.747688 3067.970065 4173.701245 12170.62139 11567.87037 10446.28151 9665.184863 14793.74291 14509.38967 10936.06588 16251.59744 17303.45375 2702.179987 3071.701956 3955.080882 2500.905328 4512.073628 3201.906161 3033.942941 1793.921041 3586.906416 8284.486937 8876.814057 8623.0296 10217.26659 10098.00622 13680.85927 11957.46545 15594.82547 17998.90118 13552.36048 9985.483503 8030.944321 8391.535369 8239.354725 3622.72938 8504.188796 4509.023453 11018.08471 Flaviolin 8670.886421 5693.96735 6613.954749 6638.27176 5217.010364 5028.079668 5230.043556 4916.768202 3501.548255 544.5275427 305.7915051 110.9185915 624.43615 389.6834992 487.246871 97.72775137 424.875449 635.1547369 8186.79678 7304.975588 8883.964569 10286.66807 6966.72685 3640.627978 8513.475003 11527.1751 4865.230621 348.9881597 531.0108148 931.6814222 825.8422409 1287.257033 823.1224136 681.6923606 274.6767911 439.3493592 10883.40757 7053.935451 8368.383317 5132.361797 8897.047586 9193.808455 3573.508388 8423.128316 15564.1055 2348.101662 3313.580573 4705.855878 7251.864721 5455.474285 899.3536594 3937.528528 464.3666371 4718.0616 Anatalline 104.2050509 861.5832824 92.54604844 80.50800305 98.97535833 115.5066788 1242.938608 70.14235605 30.3546492 2276.946833 263.4069961 1112.61617 1756.461987 789.1693247 87145.7836 408.8908621 4992.692626 1118.355717 166.4733217 277.7510814 129.6061204 258.6969079 262.8450294 469.733609 276.1184205 191.1390332 238.1705064 485.305293 542.6851994 2140.33443 1527.165299 1569.697015 108252.8491 653.4178972 2753.243598 707.7724747 176.2229366 295.749878 91.9705701 118.1144838 254.1167508 370.5061745 340.3032938 122.806715 228.0269983 161.148881 114.4411756 105.8016912 59.81089794 47.96836302 93123.93192 81.27436589 2560.513087 276.6804853 {4-[3-(4-hydroxy-3,6-dioxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-1,4-dien-1-yl)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 119.2592456 4.07813e-08 44707.07782 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 48857.10263 87314.59474 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 77100.27711 4.07813e-08 58531.98158 655.5761004 73310.04623 48251.74747 4.07813e-08 68281.6275 3243.065347 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19329.89356 4.07813e-08 Marmeline 11762.00903 15874.50603 10392.74623 12109.20783 9570.362748 16519.1308 13769.99636 18920.20143 24322.5708 3906.954749 4864.409815 7048.032589 5024.764888 4547.570434 8258.041582 4010.240517 2403.5733 8923.228826 8728.234358 10671.51911 10904.89006 7278.546751 10535.96304 11504.57177 10192.15214 11554.42211 11834.32999 23386.79029 11385.1088 40275.23622 46328.89419 28482.43056 5308.455548 15761.40017 9982.822158 13977.39062 6263.155777 8322.3174 7805.766369 10509.67742 9007.155015 10099.13192 13769.73988 10563.49476 12405.53878 9837.070735 17148.88271 10929.76548 14469.93757 54631.95491 17981.39817 9773.124457 26832.12362 12374.70821 5-((2-hydroxy-2-methylpropoxy)carbonyl)-2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 4.07813e-08 2056.253571 343.5822997 200.9172569 176.0727667 292.4963144 546.9388883 454.3493382 4.07813e-08 6620.798596 2952.800078 4217.072411 6658.703399 7460.903104 20650.40661 3055.807937 18107.72435 6850.009805 137.4009724 4.07813e-08 724.3015037 0.047589192 4.07813e-08 4.07813e-08 4.07813e-08 369.0667664 319.937508 15839.94083 11033.76226 4974.040945 13738.49205 6552.395882 11071.45006 13235.5724 8867.867378 8832.07562 1247.19969 183.7320683 3.307418327 208.3801223 4.07813e-08 34.09656066 4.07813e-08 4.07813e-08 207.3592936 4.07813e-08 12.07924532 277.8769404 467.2396103 3378.43764 9458.999597 380.0861253 6560.226581 575.0511122 Diethyl fumarate 474.1654768 123.3287877 289.4095468 419.6988115 227.7998457 203.722559 396.4704113 72.69060319 4.07813e-08 1911.883752 4787.861108 2873.142125 1244.524418 1221.618205 4519.019596 9595.602435 5405.780816 2357.447617 96.86863488 66.73775991 97.47261359 123.2436836 59.55110423 97.30739056 199.9926535 1279.130712 109.1085758 8840.090894 4694.902571 6218.451093 4356.811268 7609.68005 6586.57593 5559.118501 5512.522434 4686.946327 1146.973082 241.9606873 4.07813e-08 63.08025193 67.43408837 236.3320217 113.8793173 1803.829369 58.82834243 308.8949837 355.0977371 196.4970625 306.0354839 384.1975743 4948.771018 416.1671243 5004.035973 531.4139014 2,3-di-0-hexanoyl-alpha-glucopyranose 341.4381989 4.07813e-08 213.6514686 4.07813e-08 4.07813e-08 7.601664501 4.07813e-08 12.00642133 4095.448181 12186.97855 9559.487429 11604.89591 12740.05564 18763.31332 12084.57679 19747.91789 19903.27644 21188.03895 695.5239292 80.19533717 4.07813e-08 7.257341587 42.92349595 8.905045884 3.607507172 0.533132331 4.07813e-08 9701.977956 12121.16695 32812.73302 18632.46947 32100.64215 8682.470544 7089.184847 13626.06174 25276.83367 4.07813e-08 9.24293907 4.07813e-08 4.07813e-08 0.724967866 276.2450297 3.762326219 4.07813e-08 272.3307668 2.068873489 1.04830441 178.7145075 182.0862258 508.0133319 14726.64871 112.6221674 23762.46741 394.8249704 Isepamicin 4.07813e-08 466.2240038 4.07813e-08 4.07813e-08 554.0236737 4.07813e-08 4.07813e-08 4.07813e-08 1945.227734 27223.8434 26130.14669 18556.12051 27658.23447 15547.63296 18920.37057 20607.46814 15768.76538 17169.7745 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14149.30763 15281.1402 23829.74674 11670.77747 12921.09333 17413.03906 16126.97858 8532.203358 21256.08608 651.7121168 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.03452555 4.413484487 20767.94284 4.07813e-08 19944.82159 338.7529469 Fumonisin FP1 4.07813e-08 3879.150818 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1508.073543 4.07813e-08 4.07813e-08 21459.09328 34451.47816 17273.10182 67154.10275 34759.84665 471.3857709 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17211.68929 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12915.36011 4.07813e-08 4.07813e-08 234.004324 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6397.721373 4.07813e-08 2975.579974 19493.84247 7233.215497 4.07813e-08 149200.197 2207.404357 1beta-Hydroxyalantolactone 8315.22227 7592.398124 7975.742574 8218.697862 10075.1103 8473.301557 6248.873704 4039.742994 4380.193885 1951.04496 2164.309577 2065.867947 2466.229066 2506.564857 1404.270658 1134.756722 1052.405201 1203.28081 10264.31862 10410.26468 8518.230267 8894.825797 10690.24789 11494.45989 9029.506948 12056.33514 11375.73876 881.155691 1494.165173 3289.599386 793.8451451 1581.88236 2488.655619 1385.095193 752.3590343 2226.561224 6582.341136 8160.637067 7058.564507 8380.066703 10494.8527 10360.38611 10270.92612 9159.38443 13209.36791 9173.208152 6852.984988 6124.603343 5812.414677 4573.001017 1660.959603 5954.144119 1542.248476 8840.179563 Benzoyltropein 3769.581182 2063.211253 3858.658801 2206.453686 4330.222752 2989.360097 2462.332368 2553.764612 1960.86938 182.9774418 4.07813e-08 4.07813e-08 4.07813e-08 76.18275302 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5851.016049 6897.578479 4125.525225 4820.416397 5611.987598 5522.705568 5761.900111 5901.356426 5323.36836 4.07813e-08 4.07813e-08 79.14587089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3246.954863 4530.076238 2702.537327 5286.58926 6623.413255 5414.55481 4985.848541 5806.797069 8249.552087 4097.562306 2746.717266 3661.358306 2695.147357 1232.7811 4.07813e-08 3400.197712 111.9521384 3344.059684 PC(4:0/4:0) 6188.91903 8500.061689 5077.883269 6576.417835 5612.443523 8114.873068 6877.172422 13179.3619 27966.49604 1360.281766 879.8604746 1557.001396 534.8612992 685.0289532 982.6038922 2420.382378 950.6774916 1473.232309 5075.996639 4263.358716 5933.062638 3437.503124 3553.223391 3569.367401 4878.111332 5170.528275 5606.470205 971.4036829 334.5714495 1060.24896 1434.042459 1296.857422 1155.368938 1942.926225 798.9571622 1455.507187 2909.517103 5040.931298 4941.574087 5019.067845 4838.098045 6251.3577 3496.403122 4830.916842 5042.413069 5071.531792 12032.46969 10957.14455 9081.505859 12350.06699 588.8998256 10138.3414 1023.208528 6162.987663 Diphenhydramine N-glucuronide 11800.13224 21843.18403 6882.223116 10787.16813 5198.17834 7897.196578 14599.77464 21567.75388 15664.05013 483.2408135 1032.951405 582.2284141 293.1231321 702.0480912 2214.005081 1360.369558 1883.387671 650.8664963 2636.974528 2716.332104 4395.529165 2191.095492 1393.567226 1669.389737 1615.197402 2024.178603 1457.937481 165.0886945 981.5159677 1151.392964 1368.081695 3793.626931 2000.556972 327.6677523 1288.886441 582.3605586 3087.054508 3865.983201 6114.772268 3346.255631 880.9813358 1395.550802 276.886171 224.4280242 2126.456407 998.6964208 5226.214765 6152.613014 6754.95387 11200.88013 857.8256245 4970.49391 2471.240098 1732.125617 N-Methylmescaline 7285.272279 3842.425728 4146.33354 2319.569094 2741.163346 4142.186505 4070.259085 5861.964744 4385.098836 569.3518791 676.1726942 662.138928 938.9928314 326.6222006 1198.383418 211.7822754 1035.912318 988.1788326 12963.56546 8717.483954 8705.51799 7661.626592 10455.34568 14237.69712 9440.914091 12457.57017 13067.17296 757.0024044 1034.721178 314.9050176 1421.998047 1052.729118 1066.73585 1450.85271 308.0278585 506.7440167 7303.808982 6955.043556 8363.505709 8612.434228 8614.713293 8851.252949 12901.35074 11341.31945 15700.87251 7179.273361 5894.66817 7588.253062 6344.494397 5712.343413 664.3136379 7661.968566 479.8961673 10590.59025 OKHdiA-PI 183.3903566 4.07813e-08 4.07813e-08 1075.318167 4.07813e-08 330.5917788 238.5021519 4.07813e-08 169.6634948 36200.53653 41946.52941 35016.98776 49804.4182 12238.26544 41840.14539 54369.98282 27673.83338 14326.53019 4.07813e-08 4.07813e-08 55.46088126 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 258.3498685 4.07813e-08 93768.42589 51998.32523 11953.33911 42444.1495 7813.572799 18528.03521 57213.75349 68230.27187 27273.29951 378.8189432 4.07813e-08 4.07813e-08 552.5091003 4.07813e-08 4.07813e-08 3.395496292 227.8905969 4.07813e-08 4.07813e-08 4.07813e-08 585.6819207 4.07813e-08 83.68940868 16522.60574 147.2506095 12493.82054 4.07813e-08 Matsutakic acid A 2978.395783 2794.358349 3094.210923 3043.009328 3407.815261 2930.431331 2726.768127 2525.342852 1951.540494 1038.748013 383.6334003 917.5348354 400.2677328 616.3714894 383.5248846 1453.010495 871.3245221 1202.982868 3318.129682 4098.323541 3896.774114 3327.078681 3453.14094 4205.025286 4101.756866 4191.695497 4366.953614 208.3924818 729.1667494 1134.700737 755.4230747 740.9288004 662.3373668 486.7036455 1550.392836 943.9591135 2896.81515 3007.316284 2793.548838 3339.573132 3426.551059 3527.177428 4090.363579 3771.340636 4393.674491 4180.294032 2441.249243 3402.458993 2840.168435 2808.53595 734.6229903 3499.180099 983.7154156 3394.737779 OXOLINIC ACID 4.07813e-08 2399.573588 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 928.7246124 885.5978719 4.07813e-08 7041.652277 7445.673526 5199.055588 7481.351446 7903.177377 5221.670855 6907.927073 12094.83722 6126.589039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 101.5493614 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4429.703266 6334.811261 11247.53073 6997.743289 14325.3404 6295.147292 6013.405315 5471.373597 7159.867069 382.591416 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 89.04272223 4.07813e-08 4.07813e-08 1040.880418 806.3063058 8493.350388 827.4882469 5981.179728 162.1267531 2-Phenyl-1,3-dioxolane-4-methanol 4354.4662 3380.481141 3642.8046 3781.362472 4524.560024 3464.100312 3630.542529 2437.526373 2461.453285 788.9970974 621.1332219 946.636651 394.8285076 892.4307628 431.1780762 940.2693234 123.8498136 887.5134884 4391.677487 5323.411375 3663.804008 4429.451335 4564.20345 5141.096352 5069.795532 6205.579176 5077.773194 299.0401468 553.6341364 900.2060322 739.4432464 443.2489574 762.2391618 545.2666069 597.7906621 670.0278016 3745.39411 4611.536378 2674.402377 4395.766363 4209.752205 5125.151257 5158.507524 5107.503604 6231.073801 4530.336803 3429.727641 3671.371293 3594.401222 3306.26373 228.363677 4089.515273 490.7634004 4464.032827 Mukonidine 5258.967323 1686.27704 4243.423337 4101.867508 3056.924954 6003.36101 5058.716465 3914.838678 3062.382898 1398.7616 252.7455835 990.3968736 1491.888233 763.072311 682.373707 125.3619693 349.4689929 1456.760103 5005.289268 4518.450141 2621.505181 5016.770315 7535.724563 6391.394749 5281.169993 3797.945623 6668.880492 378.5225071 1095.610171 324.1623783 794.1235041 248.371955 190.0862036 1235.405795 322.8487748 1310.977573 6094.368146 4119.943764 3645.654394 2830.958937 4088.909936 6186.87854 6393.084664 4921.045125 4360.598907 7753.680906 5858.584931 5848.904414 3487.277901 2877.662027 2158.663456 5226.967988 548.4524386 8604.50829 Hydroxyltolmetin 21532.95843 17172.50055 13105.89102 17051.68723 16932.68221 8149.5546 13283.69374 14602.18379 9289.778523 3761.272783 3384.68355 2626.349354 3480.068227 3198.441283 2576.945228 1817.453219 2214.111248 2797.008983 19844.13752 9600.746272 11540.64467 19035.21609 16307.95079 4003.339534 19179.83082 19021.95377 5747.104067 3259.96711 3813.016743 3541.776083 4022.182611 5023.225777 3783.950419 3137.164445 2957.082573 2121.969178 25954.76328 12742.18025 13792.13923 6593.184417 18124.25717 22144.46897 3622.758271 16619.35654 25106.2052 2912.376794 2223.059899 9533.784957 19090.06151 12622.18032 3442.595314 8044.02613 2530.256253 9713.879411 Carbamazepine-o-quinone 4145.166782 2958.049999 4154.025994 5732.589227 5205.886309 3837.171287 2035.085763 1724.33594 2035.538797 687.8130881 4.07813e-08 621.1969482 717.7290892 772.0960648 490.3370917 4.07813e-08 484.6415601 81.40133085 2530.134906 3275.469096 3661.99213 4485.961207 4421.376258 3372.590373 3184.449477 3825.488255 3817.019005 388.5531116 4.07813e-08 227.1540778 842.8357633 153.0220271 1079.870098 1259.778227 1297.895475 618.6759617 2698.880612 3298.75284 2411.182503 3732.063253 3758.43548 3641.092741 2813.154346 2985.745557 3923.024091 961.7658663 454.8048712 1747.542972 1344.622004 1464.851417 907.9052422 2233.81921 4.07813e-08 1491.129175 Ethyl trans-p-methoxycinnamate 5112.760806 4303.737979 5249.804294 5312.461582 8148.044469 5303.267524 4297.381721 5304.857933 6574.512024 1597.121527 1420.061658 1322.81389 1628.826978 1194.050146 1338.195558 1288.825533 970.6425235 2000.071958 7901.644126 8664.257436 6687.021144 7577.50802 8904.271178 9311.324172 7577.624509 6786.617833 9529.47078 1188.681859 1142.851026 1705.345539 1253.846864 1711.286886 1432.182199 1690.963297 787.7596242 1975.89423 4748.567641 7513.964692 5955.810265 6954.147547 7636.212643 9091.241543 9618.357677 6851.434165 9436.333307 7302.678755 5773.524728 7330.131023 4974.700107 4544.155658 1717.047593 6613.724295 1705.451323 5736.096965 3a,21-Dihydroxy-5b-pregnane-11,20-dione 10189.23279 8571.625035 25567.06879 16596.52969 29656.03403 20779.52636 16848.64339 18835.86904 31991.50164 4.07813e-08 4.07813e-08 9.97471455 4.07813e-08 17.02783067 4.07813e-08 4.07813e-08 4.07813e-08 21.60280724 13886.99815 24480.85478 22802.13102 19944.3715 22747.78556 21083.63772 31332.90915 28272.48894 22413.3683 4.07813e-08 4.07813e-08 7.809717977 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17179.81962 19602.21929 30066.93778 46290.09006 17431.87573 21379.09069 23543.36559 29989.76467 33753.14682 37345.29138 20862.55901 21993.72341 16397.30809 15144.15818 553.0486855 15268.70946 4.07813e-08 10359.75566 1-Ethylhexyl tiglate 18642.25276 6611.434451 13398.41115 12463.02211 9047.943915 17417.19321 25973.62589 17269.62872 15615.47318 1088.683132 1687.994384 1400.009793 1144.274168 1877.711516 1142.673767 2120.82102 1660.114397 2032.559319 2895.734801 2006.330228 3586.928793 6551.89478 2712.172666 2980.201414 4586.074747 3397.022368 2138.59592 1264.283138 1442.910196 1881.242747 1865.907463 930.2884099 1757.936075 1401.229727 1872.692405 2115.73134 12402.7231 5870.72575 8679.50961 4083.422327 4507.889373 3840.552213 3686.121994 4872.030426 2239.368859 2790.503406 4359.723902 13828.23264 12581.14336 9327.863268 4795.891399 7430.436412 8285.503956 19109.46843 O-hexanoyl-R-carnitine 1958.389652 1859.983231 2252.003698 1456.064944 1163.302836 2278.530998 2144.140931 1459.750878 1142.941131 1782.487407 1925.351855 2041.355102 1534.846942 1970.999877 1527.70097 1258.757574 1411.268766 1217.398211 1513.512698 1469.141229 1452.343649 1368.990248 1855.405971 1428.140649 1991.152442 1273.496143 1397.24695 1289.298124 1422.326836 1320.733645 1465.654926 1406.72147 1194.454374 1212.634428 1256.322876 1051.304093 1762.538254 1694.973787 1233.205489 1254.552087 1594.757849 1895.618469 1203.401558 1227.044374 1453.702066 1658.105556 1070.217607 1445.649695 963.658335 1070.435107 1240.896537 1711.910144 1603.379862 1045.801912 Polygonolide 1417.820374 1124.517899 1109.638769 1231.868634 898.8653742 842.0714185 992.7195056 1180.002566 485.6204751 2371.162703 4200.205562 4654.253002 1981.239721 3702.994121 2549.53221 4360.69141 3843.292576 1677.016589 1813.710113 1616.91966 1396.215033 1592.279577 1956.156814 2264.728746 1629.055733 2440.257187 2566.210419 6159.316823 3691.198214 5829.258895 3567.581622 4289.629102 2485.161272 3210.569049 6404.271872 3704.117871 1715.74404 963.2745856 928.2696208 620.9175935 1432.48044 2356.582613 2215.083704 2348.575934 2614.667662 1572.13435 1285.098429 1239.097881 1392.830738 1329.725122 4403.404453 1519.821851 5067.528693 1758.466386 Corticrocin 10862.22257 11497.26712 7448.916359 15549.14153 10613.77323 7711.886273 10092.1881 11827.45434 6671.435646 15359.67262 13582.23966 14100.46139 17354.27905 16080.25771 10025.88093 9015.851535 14275.6138 14721.10993 8012.054039 5772.373937 5165.520919 7622.198136 5292.40803 7048.971292 8413.25327 10496.92583 7642.549275 10374.05442 13368.5734 20627.26847 11141.11303 15801.30243 12040.03607 14610.41219 9155.015776 14381.75045 23820.65624 6128.630652 6996.304601 5708.721108 6085.880119 7309.606856 6571.023006 10208.76143 11184.71048 5849.131409 4944.116505 6209.713372 8058.490655 9368.817603 18044.41431 5964.685927 10288.90965 6468.663043 Gelcohol 5122.207066 4380.166529 7553.174288 3776.165347 5144.802303 5431.30946 5284.471744 2331.044875 2814.907001 2371.99309 2930.235794 2601.078123 3108.248544 1599.683509 3183.739277 2573.071473 1958.090253 1605.65194 9866.723884 7446.70361 6697.220102 7354.98289 6987.12812 5841.113726 6939.771507 10526.41648 9089.146611 1632.124112 1777.466394 2702.294001 1539.70088 2612.870957 1955.570414 1869.141777 1459.168926 1506.968933 6499.847821 6730.055053 4995.510573 6336.482408 8969.278567 6836.972257 6406.205527 9644.283465 9273.626635 6594.001553 5041.422776 6576.049533 5282.188955 3610.541698 1430.46304 5850.614353 2237.96874 6276.139972 9-Hydroxy-2-nitrofluorene 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181.2555187 4.07813e-08 4.07813e-08 1716.194889 1265.734773 682.8918956 1897.718861 884.6525566 971.7962539 458.4346533 1157.259213 2158.660821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1628.414251 1173.781945 885.8518236 1199.29555 1682.960018 1223.522216 1647.004736 632.7640377 714.7175106 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1838.384237 4.07813e-08 1745.404489 4.07813e-08 8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite) 2736.566381 7072.07423 3882.004524 4488.388021 2370.121437 1877.561891 2386.078876 2693.693527 2010.460374 13568.50723 11830.94702 14524.53888 14180.27772 8972.359198 8566.715465 9812.624435 6987.404595 9745.856346 1114.735661 1208.310375 543.2973766 921.3293414 141.5165408 1738.851566 1301.231572 1115.406512 1342.432176 9377.567692 10501.75942 12376.17922 9401.452132 10298.23844 11169.64183 12569.16411 8971.481738 10126.38284 6952.804045 819.3779865 1265.470055 367.4185666 451.0793349 1970.294966 2723.689181 2627.738739 1309.995821 1755.025347 566.4679322 1575.657628 1777.73589 3707.771205 12902.13094 1627.372798 10102.83543 1157.514961 3,4-Dihydroxyhydrocinnamic acid 497.1762891 620.2536408 351.3014975 851.1907965 650.8181352 241.3937972 524.6983301 518.1047745 331.7048414 3115.77874 3909.665818 2981.417188 2737.163114 2721.659568 1417.838943 1986.363216 3385.098643 4135.104784 385.1929368 337.7243946 205.0441035 373.5443814 235.0617737 157.1285414 186.6648802 270.6677269 58.39312662 662.6841115 3554.970962 4074.522576 1907.124202 3488.729708 1931.553119 2865.530706 1489.824322 2361.977 410.561161 224.8148398 330.7047288 211.1468525 274.7873051 208.0345263 305.8606693 529.6619758 410.4211152 308.2011302 259.9949639 118.7132354 310.9506524 262.0642616 4362.12545 230.1158711 4685.9989 743.1661918 10alpha-4,5-Seco-11-eudesmene-4,5-dione 9648.631661 2690.351175 7533.439187 4887.613039 2679.391671 11531.19351 17228.23334 9760.175588 4057.155997 2602.213444 1044.427324 859.4556801 1877.970547 1235.365898 2323.190539 2190.162653 1596.951224 2271.450704 4470.641272 2442.282834 4873.249992 7098.897834 5199.182203 4244.917862 6739.676509 2776.245609 2525.474173 827.7670617 820.2379492 1252.609273 1797.123266 764.3895397 1378.173739 3578.059887 1650.706222 1745.255417 13667.93129 7355.774625 8314.435255 4469.362239 6030.298501 6218.038665 4990.236286 3418.897329 2048.536659 4034.13057 4633.667083 10682.96396 5342.796857 4767.861223 3890.007777 4790.184755 2946.039663 8028.324624 ACETAMINOSALOL 662.4381037 367.3201358 289.8856991 4.07813e-08 342.0233375 214.9015178 421.7587233 242.2922912 272.236295 308.2481508 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3104.741416 2993.120151 2226.409703 2817.469044 3290.197855 2656.411177 2666.731142 3380.245726 3160.623466 232.4091749 170.7255383 4.07813e-08 4.07813e-08 166.824728 4.07813e-08 195.6318405 4.07813e-08 4.07813e-08 1823.658091 2237.930409 2095.560631 2101.122873 2557.467695 2707.003087 2747.1 3276.942775 4474.791456 2269.854032 1781.474185 2156.846673 1550.602264 1047.151066 584.9884656 1727.042947 95.83505783 1915.445625 3-[(1E)-3-methylbut-1-en-1-yl]benzene-1,2,4-triol 7312.009182 5550.462117 7694.588113 9537.146461 8879.060774 7035.879866 8732.233337 5591.639119 4326.096059 1622.049406 1733.53365 3079.640288 1755.791698 2622.649959 1924.237504 2183.740433 661.7679106 1273.265562 9766.77094 10462.77092 6516.154576 8157.276152 10303.14932 12855.08858 10521.60321 9061.840953 10292.13473 1333.200393 1639.562895 2891.54952 1854.938692 1857.858851 2361.786627 2109.916958 1902.444684 2635.589196 8070.939101 9739.263988 6488.231495 8318.546852 9179.894357 9926.72544 12277.41974 10058.56674 9213.845769 13419.59005 7877.961305 8770.047005 6398.16097 4928.663977 1335.852452 7991.053147 2113.947024 11763.25636 (S)-Rutaretin 1821.67372 2405.058178 1826.124628 1840.474085 2333.569098 3303.724734 2252.590302 4063.198381 5706.353026 6514.51709 4821.636885 6274.455871 5924.814586 4121.797267 3105.253535 4258.291294 4295.240598 4858.261193 1851.680874 1392.458816 1474.880384 1093.938358 1678.818126 2183.354014 1967.53469 1303.128053 2775.467738 5372.072993 4866.22023 5229.677751 4057.396293 5404.672218 4034.435369 5767.165498 4416.101172 4665.69038 1929.075593 1565.706954 2201.800749 2811.877477 2049.264096 1251.028041 3390.074683 1999.097525 1301.350459 2940.24473 1058.656407 2623.314058 2230.600921 3300.949717 5220.696356 3184.001458 4881.43546 3451.018873 Piperine 31165.69882 23494.7689 26399.54687 31322.52506 32227.47296 26478.47284 22413.81367 21604.57669 27599.79038 5800.938435 4780.361856 2168.178707 5476.421591 3563.719933 4451.211662 3977.460414 4512.880081 4476.595242 37592.39405 30833.55319 38094.03197 31336.31111 27012.7063 21979.3133 29065.04865 30467.84596 23289.31533 7173.267977 7513.467369 6757.231 8676.874918 7595.855606 6315.412123 7986.21008 3854.926693 4578.809924 28363.40632 29483.7079 32949.82238 28410.7476 32221.60018 29968.11415 20079.66725 35555.65988 35540.49008 31469.94762 19929.22753 30433.10309 26494.9561 26012.62165 9322.921369 26519.78442 6959.675317 21086.23087 (4-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}phenyl)oxidanesulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24002.90074 4.07813e-08 4.07813e-08 4.07813e-08 547.5865264 29679.21686 45422.25184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21621.8299 4.07813e-08 40570.12457 4.07813e-08 25886.83405 24954.36143 4.07813e-08 33861.1462 1852.84877 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7158.594728 4.07813e-08 Serratanidine 1034.028345 696.5408694 907.2762619 105.2857664 0.038668156 5.633204388 426.6096197 969.7031749 297.0889252 397.8700491 193.3476289 4.07813e-08 98.3231232 4.07813e-08 90.34322896 4.07813e-08 139.4556805 136.1878576 1548.948496 2739.926564 1419.460658 1672.250717 2922.441891 2334.000942 2148.848714 1986.072571 2627.445738 198.6639496 183.2867023 205.8447292 4.07813e-08 121.5537693 4.07813e-08 319.3902716 86.02204344 4.07813e-08 1109.305067 1728.939804 1684.196161 676.1394014 2051.731857 1932.550119 2469.47776 2308.704011 3401.200969 818.7333591 1040.359462 782.864234 1209.603588 1057.444195 210.1506873 1099.494146 117.6505193 897.7320625 Ethyl octynecarboxylate 3632.290247 1126.743484 2139.979779 1894.395309 1278.344622 2036.587027 1939.581098 2153.78361 2370.137782 4.07813e-08 148.704991 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 135.2215566 163.2096174 4.07813e-08 3333.001277 3772.594482 3168.329496 3331.622533 5172.036542 4970.058177 3823.023972 2497.742084 3767.786561 4.07813e-08 4.07813e-08 47.36784108 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1628.611516 2612.281917 3167.110739 4857.105699 4086.341172 3966.47354 5038.56828 2804.009329 4700.926447 3122.620372 1682.530971 2503.890269 2013.557765 1753.484583 4.07813e-08 2441.991132 124.4231882 2722.10967 Pentamidine 2734.066656 2409.911034 2639.339636 3727.744501 5112.756092 3343.442116 4811.415234 3535.931923 3439.225427 236.9994687 533.8635892 393.8872997 273.0372279 480.2364044 812.5058856 4.585477122 84.96461111 631.6760194 11285.43671 11354.69646 9682.815463 8703.514149 12017.39577 13455.77946 11929.82548 11616.44784 10707.43905 1153.359089 1876.964476 802.2377605 1007.63614 1261.913301 28.35860077 1347.08958 304.734607 708.905384 7180.934248 9450.545455 7140.980528 8592.636257 10566.09419 11430.25982 9088.997439 9941.674297 11008.2729 9927.140002 7028.781955 9303.426252 6562.348748 7622.977265 2319.799606 8725.174817 1697.485735 6667.102527 19-Hydroxy-PGE2 29431.06001 22063.46467 24626.95443 31291.97325 36410.85444 28931.6723 31931.15218 24605.22815 25380.31097 8506.407957 8971.500067 7338.589263 10468.03259 7053.290647 19288.47245 2460.560025 4491.766729 8363.411686 73041.93157 56555.77271 53654.99276 51910.30544 72877.91697 69162.08665 54434.12073 63538.86061 61886.38883 6618.604729 6830.291082 9558.792241 4747.084793 12118.55482 6872.982943 9738.570907 2607.987037 4361.841612 40077.8878 56262.15246 43453.93561 52809.27838 60599.5462 66210.18271 62566.35297 59472.22958 81141.38315 42911.75225 37255.4348 43160.50679 36654.8144 35070.39064 16820.77823 42023.02055 7591.617405 44887.89034 Geranyl acetate 3472.147198 2601.073077 2578.736543 1900.413289 3376.848733 3786.218334 3445.413094 3196.980858 2054.124556 646.6105264 699.1299703 638.9318969 740.8893274 749.0063278 514.7209877 1252.396093 561.0875157 721.216611 1815.508886 3825.936432 1949.881496 2562.595708 1518.253775 1438.284372 2673.096899 2541.91875 2816.321993 796.7461839 647.6024819 736.1695574 699.2912465 576.5774848 763.099554 736.5156086 824.0416614 858.5182138 2271.272817 3718.764267 2022.981848 2507.05001 2403.354783 1622.288188 1769.288767 2708.508754 1202.304785 2438.863405 2568.053263 3028.508932 2091.883547 1506.071646 575.7271938 1995.745645 860.909064 1562.257365 28-Homobrassinolide 100.8554171 1626.671805 134.4742656 481.8399495 449.2221869 202.6722861 129.7992982 150.9926602 52.30912856 254.1527725 6866.246222 6534.446688 197.9957896 12952.61289 7709.924609 8753.968696 21513.84499 500.2583902 1.415251123 112.569041 4.07813e-08 341.5936763 66.81218884 30.83791596 168.1371726 80.6844617 293.0630506 22795.38857 3148.859062 2164.637009 1039.353932 4485.630395 3695.972797 1537.489142 8841.162814 815.8035132 34.54271152 70.02426402 210.2956753 235.7586263 328.1684592 295.4571369 335.5087747 368.6438002 490.1479149 75.95983821 228.3902047 709.6551935 66.72486846 76.84169651 13027.16945 854.8803208 3446.452658 382.1507013 Lochnericine 2475.064985 869.7762179 1702.921342 1625.343103 1470.868425 1514.957368 1185.967016 1269.11933 553.742934 39.96700026 4.07813e-08 7.564178971 6.97474143 30.35688211 20.79418544 4.07813e-08 73.88641095 32.78340034 709.3866495 279.277648 4769.296254 6310.052265 169.0799066 260.5645057 1333.08491 402.6033188 519.0158593 4.07813e-08 0.654469293 36.71414899 4.07813e-08 24.79283697 14.0575833 4.07813e-08 143.4019917 57.50353353 2810.917488 681.8410721 875.378714 1973.57217 1947.482174 246.9172764 294.9784383 851.3541273 476.0346545 638.9213594 830.961228 914.6605987 1261.548985 945.25826 167.2234468 981.4411174 71.59305341 1023.543413 Hydroxy-alpha-sanshool 2249.106482 1479.366046 3239.899828 2760.196363 3238.81406 2891.949586 2495.979004 2281.677193 1965.879078 4.07813e-08 49.2935308 50.57279606 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4524.844903 4126.030382 2691.905262 3983.855873 3940.179975 4189.859897 2973.646517 4811.557625 3880.310507 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2554.00887 3086.808541 2670.397304 3559.663626 4791.021047 3850.678624 4433.042316 4150.77643 5374.443443 3242.570622 2710.697754 2223.178362 2054.451614 1524.066961 4.07813e-08 2446.317863 4.07813e-08 2425.811878 Cypridina luciferin 75889.46323 69716.86684 82245.75462 64251.7405 52577.80345 69282.81377 65892.27508 88709.51358 74964.53312 36337.69325 40785.99071 68263.38144 39086.05465 74464.59878 65013.48188 40312.42514 77887.07445 68368.83951 138936.4241 97815.47422 107014.2276 109254.4466 108332.3343 114637.6572 124061.7894 111179.4536 108970.8763 76685.93054 76860.76219 88439.40146 66304.09414 99241.50904 88618.50383 80776.24039 68139.35597 77001.35213 116145.1092 103962.0255 111537.7413 123744.385 121112.2129 140582.4285 96988.61101 107564.6812 108605.8881 70300.25412 57938.50053 79040.60181 85136.41063 84148.9734 85801.00851 89325.04395 56191.756 61192.68142 Sporotrichiol 5201.690171 2678.236948 2836.72291 2814.523146 5002.854167 4720.575811 6131.129343 3108.695447 5395.658898 2310.335203 1333.920365 1384.027038 1034.887531 217.0922292 933.3205174 131.3258912 2077.559806 433.2834449 13830.41792 11640.68206 10701.0126 10263.72401 12122.8035 11516.13318 12069.09061 12994.89692 12198.29837 1606.488771 1740.282737 2423.793822 345.1575321 2888.44123 1511.798067 2643.860993 1395.275009 247.7563527 8036.891253 9796.483588 10557.40228 9908.766657 11808.43854 13878.77943 11674.14927 11628.54265 14447.67708 10949.60124 8649.375926 11618.60633 7426.664168 5554.251592 7238.199973 10161.36729 5337.83947 6092.20429 Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate 2271.325167 2754.80502 2768.136012 2390.146771 2875.645912 1781.067428 2298.255492 1750.282026 1727.311875 1688.520433 2015.821678 1328.938249 1960.409465 1531.86551 1903.749582 1614.071032 822.5006391 1149.560072 4189.365084 3854.195395 2609.698738 2946.043737 2083.312862 2038.102943 2632.904894 3476.077088 1795.855439 691.6320396 1144.454179 1515.278951 1121.590695 1333.090369 1547.182614 1371.417057 980.6887524 1217.140222 3117.188952 3415.888141 2829.383311 2078.093316 3246.305009 2558.535616 2012.606323 2692.928724 3972.968782 2162.649062 1976.511637 2440.506795 1628.061554 2319.285109 1394.012977 2369.519067 1715.271647 1854.412132 (2E)-3-(3,4-dihydroxyphenyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid 1365.501785 303.751561 4.07813e-08 333.9163065 104.511862 1322.040745 1135.937105 523.5262637 880.3698635 16412.46135 36922.07977 12285.23728 10805.39105 27456.58524 7351.313527 52670.72655 24586.72681 24339.85673 372.0043016 198.7281614 180.1521342 1000.536666 181.9676831 243.288663 153.7141435 580.5011083 341.4042404 604.5076121 8095.904953 28447.61058 8015.832016 28513.83223 5932.620874 6761.166185 3249.081335 20796.69215 708.3247058 302.3346499 4.07813e-08 106.116305 4.07813e-08 308.5143448 338.7024398 278.6221198 1090.358517 200.6149239 349.2263781 174.9590153 637.5012352 314.2891147 11934.64298 158.988495 17930.70842 495.7291163 15-keto-PGE2 1925.001077 2800.831793 2570.286468 4105.691053 5293.413122 2939.019178 3710.977496 891.6741953 2199.610632 1007.810216 501.1329002 382.9493862 937.6778637 151.7503665 1187.322039 4.07813e-08 4.07813e-08 917.7183132 4033.223327 3287.882495 3161.673527 3592.166815 3630.962324 3767.043512 4017.104032 2156.980752 3652.791525 4.07813e-08 1465.281742 269.2656937 783.0419043 1570.118213 296.3062821 578.7662928 4.07813e-08 288.1946843 3647.137035 3708.609873 2824.464512 2250.65014 3922.611756 3499.869728 4288.616436 2822.644791 4477.358536 2997.413588 3148.272675 1526.767998 2329.560878 2602.201127 970.9645759 3309.84193 945.6117985 3278.457184 Lusitanicoside 0.1077192 3.817983057 4.07813e-08 3.745512039 18.67415221 76.5685072 4.07813e-08 4.07813e-08 20.47514228 4.07813e-08 45782.13482 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154336.0412 33111.00516 4.07813e-08 56.12881649 4.07813e-08 127.0292697 4.07813e-08 4.07813e-08 4.07813e-08 207.8604942 4.07813e-08 4.07813e-08 83070.13056 28.5940512 58103.71564 4.07813e-08 47459.77267 66865.30437 2.085946365 88771.15923 825.0503987 64.73409118 4.07813e-08 4.07813e-08 130.507209 12.93586949 2.368127429 4.07813e-08 4.07813e-08 4.07813e-08 111.7202874 4.07813e-08 1.445443418 14.30388956 4.07813e-08 29.65689353 19.23835924 44741.98192 4.07813e-08 21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione 26850.78456 25440.33597 35620.51218 44983.99214 56801.48084 33476.05502 25146.81692 14102.65545 17463.0333 10581.22384 17862.12158 33068.61418 12118.84635 39619.56715 16874.21466 16144.96115 4889.31094 6139.992382 54963.59067 46453.32084 42710.13926 38114.02521 64427.33942 49591.50319 38486.16291 49342.3438 51164.0748 9055.777863 10715.43049 29434.09776 8208.41192 21607.10909 32968.83721 14812.19944 17062.3084 22658.56601 28444.25613 37577.50956 30871.59236 47608.71055 40687.10727 55346.97648 45041.86441 49083.24557 62630.92048 49234.3369 48203.08989 34425.32072 32408.50313 29097.8601 26454.666 33059.55539 17585.79688 40964.50797 (S)-Abscisic acid 2161.257627 1894.025006 2313.035621 2012.184179 2681.013896 3006.682044 4527.555843 3204.656416 3115.116065 439.2065817 475.7110892 149.6333333 618.7108275 112.0012449 50.2191871 63.42413841 115.1051721 493.5561076 5136.661425 5584.550626 5787.249901 4824.853176 6476.160316 6517.013264 5477.130015 9849.123917 7220.037138 131.0311204 894.8366726 727.5257339 617.3741539 1117.522163 264.7577683 590.3925885 4.07813e-08 276.2427685 4855.687072 4065.432889 5363.07929 6017.242652 4450.611605 5337.819142 6112.158216 9980.186879 6631.25425 8371.606461 4567.807327 6217.099623 6515.236327 7393.749941 7565.968128 5204.318709 3124.660568 5302.687374 6-(butanoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59.21264398 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2227.944072 4.07813e-08 1010.481404 2599.559223 4.07813e-08 1890.439851 4.07813e-08 1609.673774 214.4383015 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2812.901263 1329.992378 295.0356762 2038.99464 2328.694138 2712.81415 1730.336623 2136.551251 1207.873412 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 110.9001488 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2286.714212 4.07813e-08 1335.527843 4.07813e-08 PE(0:0/20:4(5Z,8Z,11Z,14Z)) 4327.996254 6435.454917 8681.331222 19228.03864 20562.65898 10279.01129 6910.390677 1701.109861 2115.678682 109.5565196 4.07813e-08 2960.266061 81.5534718 9334.642691 329.4834229 4.07813e-08 982.1009328 625.7238195 15553.86558 14834.30003 11813.69915 11595.07825 19194.08613 13746.1994 13939.79086 12039.91351 14550.54153 4.07813e-08 430.0754976 4.07813e-08 59.30846507 170.2257762 4.07813e-08 4.07813e-08 187.4550994 4.07813e-08 8858.116941 10569.49546 11275.85252 14111.96081 14186.24359 15888.38482 12613.35285 9287.91505 13598.47068 16984.55168 9745.234006 11176.67376 8965.170134 6132.341599 417.5928954 16411.65797 559.1899413 9735.477027 cis-12a-Hydroxyrot-2'-enonic acid 4.07813e-08 841.393743 4.07813e-08 505.1083124 14882.39213 4.07813e-08 331.0363332 749.2252 170.1537895 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 155.5522173 4.07813e-08 9541.532127 4.07813e-08 946.04065 4637.492667 4.07813e-08 4.07813e-08 4.07813e-08 533.5076946 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.634177542 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15480.62004 4.07813e-08 1317.411466 4.07813e-08 129.5014059 2596.203795 4.07813e-08 176.0444347 33847.01514 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 491.9563907 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 (9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid 3223.383482 3223.100225 2968.94587 3037.326265 4015.159578 2908.128522 3715.422563 2143.933921 1826.005886 858.9408987 681.8225188 426.0718771 835.2204445 358.8309515 564.3964182 261.6825076 69.43250127 268.4136742 3608.860489 5356.390497 1487.858897 4334.447686 5388.075399 6443.236581 5297.076669 4328.521411 6076.568212 4.07813e-08 487.6233003 857.6062512 93.00296998 190.5067515 277.1770644 1018.310707 620.7911175 135.8352877 3190.065809 4192.279282 2159.959099 3225.613657 5506.263564 3936.522726 5795.033577 4481.019687 6124.70776 5068.620488 4351.520984 3270.590322 2630.075775 1268.007093 70.72228693 3008.441127 255.7613113 4737.613244 Finasteride 871.7022011 392.9518888 452.343009 780.5713262 4.07813e-08 136.8441792 742.2064662 2592.456156 7373.854116 2930.699569 4918.453791 3885.321644 1718.571742 8675.144624 2656.715651 2763.062999 5944.275983 12905.81636 2731.719244 1252.552579 122.3050788 111.8588343 4.07813e-08 1265.392935 1293.524937 1018.94039 1197.268047 732.6823372 3248.820792 4768.557269 2079.208037 10256.55583 2634.266819 1655.323344 2712.955204 2052.87086 205.2801224 2922.352989 146.9597333 393.7424098 283.5920471 4.07813e-08 805.5826734 2164.571815 469.2375313 483.0126053 2978.962301 887.3293629 347.9628657 4.07813e-08 4786.925589 224.2966976 4028.825286 1041.161202 Cycloate 875.0171785 852.3801203 481.7194904 4.07813e-08 4.07813e-08 603.3216556 3207.954326 4.07813e-08 4.07813e-08 2981.034774 747.0036611 4.07813e-08 2892.873887 4.07813e-08 589.1435014 4.07813e-08 4.07813e-08 4.07813e-08 779.5867366 1142.489492 1764.560572 1369.243982 1049.401109 632.7069432 978.2677126 178.7181164 111.2456243 68.61186949 1287.708493 42.1231 367.8431832 100.4220096 40.36075976 3690.503264 4.07813e-08 4.07813e-08 1140.479235 2237.087608 2258.700146 470.690822 754.7379493 911.3932624 398.6004074 404.3877866 1843.751459 4.07813e-08 54.6342209 622.3362309 588.8635544 2484.334233 259.3947939 229.8565982 2304.474173 4.07813e-08 Linalyl phenylacetate 3312.779432 1732.988793 2746.870944 3046.207219 4070.65219 3776.05766 2501.458624 2219.853974 2072.575417 4.07813e-08 4.07813e-08 4.07813e-08 72.18700784 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5726.925536 5511.212189 3158.418269 4865.608589 6010.972627 5571.109191 4790.121683 6062.052975 5680.035377 4.07813e-08 4.07813e-08 334.5277389 4.07813e-08 4.07813e-08 4.07813e-08 118.3509671 190.2910838 4.07813e-08 3034.583337 4620.703423 2700.171898 4501.884612 5600.089699 4668.197601 5038.684599 4835.49692 7428.240131 5535.634019 3019.330767 3091.954757 2534.270874 2303.455258 4.07813e-08 3357.304074 828.6078599 3795.707538 TOFA 1182.21017 1196.260527 551.1739408 334.8631608 748.2521514 1391.52889 1448.861954 2208.11133 2156.397991 1739.472151 3025.007507 1467.370479 1331.354313 3807.088467 10573.79041 1900.903499 4.07813e-08 8323.508428 745.8982782 1175.90136 1064.657238 2468.150218 1270.475864 262.5662792 1044.959646 2219.835933 768.9693802 7632.19692 4004.912485 4602.631938 6760.981774 6145.979993 2619.886171 5901.637592 8283.419666 3570.064377 4530.340979 1204.709737 1384.822601 795.8668309 1406.319776 792.5428852 110.4847682 1075.934876 317.5255917 132.6712925 1785.108768 1654.802959 2837.5108 3366.395789 8561.218143 1306.622012 4038.92446 1494.803203 TOLPERISONE 2635.102838 1006.651273 871.4639765 135.7932511 302.6754511 623.322461 1955.136644 470.6334619 739.3607282 344.1435663 47.35674643 4.07813e-08 111.9820986 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1438.313034 1185.390603 1728.021479 1623.301025 1079.146142 1783.636866 1799.575535 1962.00725 2642.559122 142.5689101 730.738843 4.07813e-08 1023.079081 826.2238934 164.3258566 2129.538394 225.3668087 4.07813e-08 2994.066776 3058.557408 2873.855801 809.4857145 1712.4115 1709.913291 1853.701353 4627.380349 2651.901384 1479.297958 1892.943229 1900.330744 2093.558944 2341.785826 1544.795615 1554.270021 709.8799581 3138.993906 11,13-dimethoxy-12-hydroxy-9-octadecenoic acid 13260.19036 18131.79095 18221.01536 15735.82644 14480.35 10874.27591 7467.531731 9373.379971 13115.48057 15403.14515 23528.29675 17737.78527 14875.35882 21148.937 22522.70537 64973.21693 36675.80451 28051.2465 16416.80468 9391.8848 17217.77566 10327.84419 15552.52198 18841.1354 9667.297444 14427.91385 7154.310105 15246.31951 16343.4727 35676.2832 14405.48712 15061.51191 25000.9899 16099.32858 35389.62141 23713.25993 9584.105306 11689.49035 13500.28696 14071.95238 7808.67411 10564.92775 14271.7379 14359.39033 14835.08571 5030.485093 8382.074864 10781.24595 12899.7349 10283.99454 6998.821532 13604.34274 13570.07454 13153.42211 2,3-Secoporrigenin 1189.406424 993.6407325 218.1609691 657.026968 458.4087442 4.07813e-08 211.7647235 250.7728015 4632.617043 435.4533761 60.18065908 6790.759155 849.6584895 165918.7793 10066.44075 4985.289385 1154.33007 50898.7819 4.143518378 253.8230607 0.037785575 452.6280973 194.2029789 519.3055477 4.07813e-08 670.9985027 501.0285448 4.643261081 225.3474743 4.07813e-08 713.1463233 1035.523565 0.191207324 88.64112633 512.9696978 212.7622697 4.07813e-08 147.1226095 4.07813e-08 130.5396437 519.5599205 4.07813e-08 4.07813e-08 4.07813e-08 672.2110022 4.07813e-08 2388.14844 1189.848255 5002.192214 754.896297 4122.779092 403.5930702 142.3596909 931.9375325 Cycloxydim 4.07813e-08 124.7227367 4.07813e-08 126.2253549 225.9135406 82.23183492 230.1747275 114.8624415 4.07813e-08 5854.015458 1319.372915 3213.883849 4502.994579 1645.901154 693.5483447 1413.653123 3076.208315 1384.950299 4.07813e-08 4.07813e-08 99.00706498 246.4993574 306.3415096 4.07813e-08 4.07813e-08 4.07813e-08 96.06911679 7135.917396 8225.645305 3416.679599 12720.34429 1524.632246 8771.525768 5487.13909 7920.360379 2985.970259 2248.744017 176.3049348 98.62864618 84.58362726 4.07813e-08 4.07813e-08 4.07813e-08 137.2976697 238.2028668 4.07813e-08 4.07813e-08 89.28892407 178.0646096 4.07813e-08 3262.816017 86.4848652 4367.454237 4.07813e-08 13-(2-Methylcrotonoyl)oxylupanine 7124.241401 3262.628611 1191.133139 2922.503533 6568.258712 744.0170131 266.5882428 1335.788261 4.07813e-08 3194.449592 2484.095218 2965.156016 2719.35111 5141.882201 515.9776618 1494.292728 3099.568772 826.3202956 4699.562298 523.9411426 825.9399313 2402.457074 6455.288736 3975.245913 517.4277776 3540.70057 114.1632507 882.2294304 1739.217378 2458.933456 197.0492129 3185.288062 656.1343767 1252.197752 303.4170823 1133.3452 2541.541813 2297.918669 1125.697519 334.6865421 3283.4626 5014.728631 4288.899519 3955.836946 14065.42023 4.07813e-08 632.150554 256.4335162 428.5957167 242.7704888 4673.881892 2920.132547 4497.513894 2852.078513 Plastoquinone-1 760.2545237 572.3205117 649.9497517 924.7123151 787.8819466 674.6818587 912.64247 584.5854877 643.8336606 158.7657775 257.7568321 115.2119677 4.07813e-08 89.68287712 193.0016526 223.9784583 261.5958204 406.9302394 432.6367332 782.8775281 654.5168955 1008.59839 793.1167756 972.1434691 693.8251075 619.4533936 601.5577064 186.6616669 290.6010866 137.7873977 170.9394281 494.0870406 262.0121687 296.9400074 278.3353191 372.2166281 627.9852521 917.6907051 813.0357662 701.5975386 685.8865989 830.5024312 959.3934747 816.6793813 878.2662191 848.7362165 765.2248427 829.7691068 279.6409104 356.3754263 476.6898897 770.0334817 315.3619523 615.2002023 3-Oxosteroid 1049.437865 4.07813e-08 515.8319639 384.4589031 754.3890503 513.6727456 4.07813e-08 617.5985642 1043.054976 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32.23190684 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 276.2359706 1592.543424 971.7592424 1238.11587 2156.536325 213.2120555 4.07813e-08 728.3178009 1778.557467 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2280.316626 2021.516289 2003.233306 3134.210987 1815.306646 637.5730959 203.2799679 553.6834941 1241.330525 162.1926261 404.9381659 70.61823384 241.822719 272.4487882 4.07813e-08 177.1039999 4.07813e-08 91.06054361 CEDRYL ACETATE 3099.831918 1794.342359 1336.291613 1577.611062 2572.798191 318.7420498 511.0467287 1121.622636 561.2557584 923.1256909 1246.127195 876.4289013 873.4492071 1520.527295 55.4576088 1029.136544 463.6806004 363.2437402 1873.607708 892.044477 835.5407734 1280.507607 3027.63598 1921.932868 1259.051991 1730.765325 524.2544369 187.1397001 532.5463556 1082.936347 142.2883253 837.6017111 343.3021904 107.6417495 495.5379129 437.2578065 1113.752653 1481.623044 1226.607188 827.2950672 1439.44734 2280.200552 1943.349007 2054.364004 4817.666217 172.2329572 429.2551959 140.9630848 647.0903801 719.8629298 4.07813e-08 1336.169389 753.8280427 1228.653882 Valdiate 26595.93918 10199.58714 24435.14149 17528.72106 9393.203954 27114.96997 23899.21952 8618.323561 7394.799838 13201.65312 3952.273919 4274.947071 13470.79443 4553.018776 5126.011642 12233.30769 4.07813e-08 3412.732127 23846.19893 19603.30287 16746.82452 28704.40233 20277.78691 30252.86398 24313.22333 21088.22978 12791.55957 225.4830453 5032.96779 4299.322314 3247.865793 3059.042451 1347.712847 5346.557086 4.07813e-08 8910.610014 37521.29186 23072.92316 34616.12743 16955.85018 22764.79657 22984.84038 27939.82387 26295.42465 10573.77936 30787.488 29916.29038 35965.34595 27561.84025 23323.65619 15941.70389 31854.6166 13284.39926 28651.5506 Allotetrahydrocortisol 5509.859354 3239.354435 4943.265668 4870.827704 6748.781685 6701.33926 6648.840323 5890.658603 4008.608003 28165.88421 25288.25622 15722.79605 27577.012 46279.98861 63955.38377 12969.42575 53381.57372 12088.97554 5532.264232 4584.554619 5068.245413 6048.935346 7937.454508 7128.003077 4414.050833 1460.913851 2957.226603 19291.81914 18128.9648 14456.80004 26104.44233 34296.68312 29799.35609 27137.43546 29912.98971 11579.03004 2521.798967 3724.237345 3666.023684 4496.612234 5956.21919 6197.00384 5829.367064 1391.015322 4504.132068 3183.270568 3520.182934 4965.940304 1988.90971 1923.042985 37758.26472 4703.856727 16484.79044 3251.695088 (4E,6E,d14:2) sphingosine 10429.16639 10683.73574 10984.12646 9381.8786 9998.539169 6881.219632 7715.549191 7870.741018 8229.187816 6868.093245 6743.118751 6916.396809 7988.316267 7425.666155 6275.679948 8752.525553 5369.494159 6355.672201 5609.886284 5912.091415 5361.407845 5259.105109 4682.308427 5131.141146 6120.103058 7001.329035 6728.592253 6568.372242 8346.726873 8979.019587 9844.10166 7458.450801 7608.228669 5993.070081 8993.79373 8887.910884 6688.001161 6133.947307 6367.839437 6002.356056 4169.901392 5591.458039 5118.266481 8081.811661 6351.707693 8851.024582 6799.628412 6889.142854 6546.54008 6467.401558 6029.369721 7368.456632 8510.62677 7667.483537 Eugenyl benzoate 1517.005458 4.07813e-08 1561.431473 1081.12711 1099.230692 1338.627159 1548.068293 731.542634 768.7399296 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3086.51565 5361.950451 254.3215563 2226.053338 3540.691718 4792.316015 3520.972925 2473.987111 4487.766444 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2389.023321 3453.367921 1141.296031 2321.014998 3139.626009 3129.257275 4166.858676 2868.686304 3086.653993 3706.223808 2812.084688 2727.716709 1526.529294 374.4392154 4.07813e-08 2531.058407 4.07813e-08 4145.317675 Limaprost 39342.29635 31792.04311 41591.80366 30836.37435 31561.84394 43564.3681 44502.41838 23540.42943 26121.56031 8904.151118 8289.329646 8766.678974 10684.83113 10116.57478 10990.90698 2039.805929 9117.125905 9633.855994 59589.19689 64085.7123 47387.05429 53069.82214 57744.79131 56836.67802 49581.66609 41837.44707 37510.16427 7242.153817 15476.02026 5833.116628 9645.19158 14297.11989 4911.407739 12811.99219 6104.30257 3970.223009 53563.44925 69344.21749 59366.72638 47013.77198 49510.2878 54355.35492 49823.32321 39320.95272 46040.85706 50572.63708 47033.3072 71890.75645 40231.56371 29149.29286 16533.99363 58801.76372 10188.20037 42816.39718 Pentylbenzene 5430.783515 4383.549833 4933.287532 5068.189906 5916.249505 5046.728358 5110.988204 5071.62832 4917.867801 2155.178463 1952.747698 1709.122684 2274.724011 1984.754014 1987.744026 2395.75187 2015.647447 2302.434496 5066.991333 4913.853341 4659.45269 4063.503102 3678.164235 5245.97393 4089.857056 4270.79813 4985.403957 1812.47644 2042.952851 2387.295645 1940.975058 2069.294755 2129.166388 1971.187194 2173.271813 2217.958868 4327.974224 5189.857178 4547.428583 4378.704406 3938.824065 4334.474503 4452.58515 4831.593039 4199.096137 5305.079398 4043.194676 4358.350117 4275.145095 3197.939405 1711.250255 4030.273595 2386.43375 5056.830312 O-sebacoylcarnitine 15232.21011 14615.06436 26490.83047 29995.17704 33095.01648 27826.41198 24593.15773 6000.892351 8627.154477 471.7649829 3755.169363 9377.572459 1028.816265 9960.591495 5770.860629 6014.213968 735.2030479 1078.206997 43632.5657 59258.25053 46591.7188 52477.48783 35859.99999 49532.28331 55019.7533 28700.23783 42012.37497 6367.000165 13090.29804 13696.64702 12248.44459 17015.23793 10677.66733 11121.08603 5799.663836 10953.18309 34174.56409 41486.80748 42342.61667 56451.42504 57731.42318 43768.77559 42635.63284 30934.63245 43870.23251 68833.44655 41758.05491 42911.16913 34489.25305 26356.14059 22266.49109 42887.86869 8681.09325 37730.21674 Allocortol 1105.764657 712.4443921 169.6605745 1185.352669 1488.157721 635.5313017 1095.352543 872.9236669 398.7389671 12568.51907 12861.83011 8162.982331 11604.72317 22247.98947 30655.74088 7259.519445 31033.22139 7253.463947 376.7672232 273.2567254 126.0719166 1429.485725 2267.021702 1242.378371 806.6343132 106.1435448 942.9666554 7367.62346 5426.187322 6832.780034 12212.98232 11009.31728 8329.325956 11736.12463 15754.46295 6352.714757 659.9459138 829.7407766 152.5201344 446.2498346 821.0186687 2108.112723 1058.406379 689.7686725 763.8221249 4.07813e-08 457.306772 515.00025 346.255459 364.4662321 11667.82946 595.3684735 10265.648 2122.25258 PGG2 6871.225422 7899.705179 7513.87284 4316.766586 7418.656322 9969.571223 9129.146046 7209.700737 6336.2349 1851.486356 1173.497259 3012.550491 1997.98065 1196.509744 1289.679313 309.3775671 2908.995427 684.9088027 34164.154 35623.05056 26045.39947 23602.5737 28790.1323 16426.94336 16756.95539 11967.92449 12026.25242 126.7483909 1484.868778 4095.130314 1764.432162 4545.191715 1873.272002 1846.990816 1500.139516 203.2078732 13710.98192 26215.94267 20238.0835 24863.66964 22267.75785 27130.28889 13730.54769 9596.061802 14479.956 27767.06489 15276.28912 24172.95503 11760.71707 6107.730118 6280.847004 21090.57819 2693.548892 12381.6025 Podecdysone B 3431.895311 2819.084937 8091.429086 10962.72918 8023.138573 8015.5 9162.534178 5642.120479 3935.799815 4869.396696 9250.147453 28563.28819 5252.062379 40716.10152 49417.3221 28217.83706 127727.7954 50758.35838 2630.455061 2706.4793 3214.54937 8511.300267 6114.810491 7367.886183 7003.080429 1760.664116 4541.896668 24260.90752 8465.866684 9578.784912 5258.346912 8004.068453 12363.64108 9084.302036 25261.43397 11466.14637 2274.217845 2997.907679 1447.378611 8232.189683 7234.78353 4454.704509 6401.174797 2635.037033 2692.785064 5349.322197 317.1780315 2252.772107 3992.71924 1383.866218 34625.76346 1056.981181 2770.280032 3098.137084 (+)-cis-3,4-Dihydrophenanthrene-3,4-diol 92.57166228 119.1939105 660.7540788 1148.314039 187.5840055 1609.419257 1443.243624 4.07813e-08 4.07813e-08 106.2363983 153.5902355 418.716949 4.07813e-08 87.3018982 877.2047523 4233.93087 4.07813e-08 4.07813e-08 54.47762444 98.63407974 772.6928256 1007.232125 609.9330138 485.8714764 77.5472155 525.5676829 316.8208302 4.07813e-08 4.07813e-08 676.2104174 185.327663 153.6386431 175.7581854 58.55495992 4.07813e-08 600.1368249 1553.191505 683.1215875 931.3896879 351.0704311 879.0396555 399.4985352 568.5876657 280.1193129 397.28226 341.1714322 82.26847261 365.6246521 390.7963226 214.3414263 141.1074978 344.5134691 610.1724723 78.20941023 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone 5237.364777 1932.427845 3979.788546 3927.592875 3699.37895 43976.43389 27431.41914 3077.379581 5978.406187 2714.639981 3042.646697 980.6400859 1822.245934 601.6887973 4531.104626 5912.85184 443.484272 1290.966489 2959.056473 3366.479738 5349.002836 6817.696817 5735.031735 5230.730578 4006.221204 6163.424316 6562.789616 637.5779545 995.7205963 3299.183993 7576.012884 2883.650696 3261.091333 7744.089624 978.9021562 4647.054985 12946.54065 15595.6789 16016.25195 11712.75119 5319.729467 4355.439279 5831.261226 6189.771415 4064.976787 2747.014233 2115.850824 5981.51702 13496.51574 5538.041178 2414.17523 2802.74318 7698.523632 6240.251451 P1,P4-Bis(5'-adenosyl) tetraphosphate 263111.6198 173795.88 259843.0876 11738.67185 3091.7136 251781.1339 13475.70707 443769.8849 285559.7799 3546.989798 727.4040195 330075.2856 4345.03902 172874.7893 215054.0097 19614.39479 1224132.905 46425.95816 29185.89818 42251.50795 295724.5979 158357.3159 4.07813e-08 73.0019068 481.4093042 4.07813e-08 4.07813e-08 266060.6776 754347.9016 10901.99034 146467.3755 158071.7327 11430.88699 277585.6936 503364.9524 29639.80469 351251.568 2395.609981 269778.0993 48598.12003 7802.50633 5885.727267 4.07813e-08 4.07813e-08 4.07813e-08 284986.7381 1072906.914 300624.058 479621.4044 174054.6815 164573.2525 374876.099 2394.934311 39810.40887 Resveratrol 1563.083368 635.8945295 1940.15334 530.2083624 64.70554703 2145.355156 2125.558083 2582.302623 1527.808866 542.5039192 4.07813e-08 52.94522253 569.5076664 4.07813e-08 583.692383 4.07813e-08 4.07813e-08 354.8254552 2756.578181 2934.916622 4072.290288 3710.507306 5503.567805 3397.855527 2875.419032 4132.376477 3887.071112 157.4474722 491.1523557 4.07813e-08 1515.554547 48.65672414 214.6471666 1583.710166 4.07813e-08 118.9428057 3881.499763 2843.237469 3130.939103 3345.100422 3885.018596 3097.758568 3954.002999 3425.307687 3777.602115 1835.268995 1568.341037 2590.973383 2112.94986 2000.507875 1736.947181 2252.606784 985.0918449 2599.934923 JWH 081 2463.853648 405.9047087 326.8923072 0.205384039 4.07813e-08 158.5910862 684.6218214 1.044966881 211.1818335 4.07813e-08 10.54361634 23.23959326 4.07813e-08 86.01272482 20.98534728 26.19023651 313.1698092 9.575467809 1507.516752 521.5185152 552.5258694 377.588083 1777.990086 1912.000973 2026.037386 2044.656298 4228.408952 7.288648487 4.857152461 9.579440132 4.07813e-08 4.07813e-08 4.07813e-08 124.7393349 12.33103232 13.83686021 2747.285513 3283.315837 2100.799417 418.9174286 1497.717328 1996.102674 2086.685871 2459.567175 3432.067488 137.6146204 167.7746945 791.757185 1494.227069 1891.303536 1.455957402 705.9062079 4.07813e-08 597.3454848 PHORBOL MYRISTATE ACETATE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66836.85135 60028.21902 41795.53243 51290.57046 49153.24573 44188.33963 20637.43939 92564.97675 90461.67981 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35192.54101 44301.29856 47071.54888 50274.13155 68332.23908 37577.37234 31749.9096 32889.34725 35658.21234 4.07813e-08 177.8926786 4.07813e-08 4.07813e-08 222.3479849 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49297.86145 4.07813e-08 100727.7462 4.07813e-08 Diisopropyl phthalate 1328.835835 667.7671557 877.1372587 603.5592474 1108.6289 1612.712562 952.565963 1481.556144 1010.83943 46.25528066 4.07813e-08 4.07813e-08 38.3876386 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1323.046545 780.1597348 1247.768322 848.6400247 937.6022059 1272.883499 677.9320104 428.3450885 884.7592933 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.42966658 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1172.7953 672.5521027 930.0412242 548.5555837 819.56035 886.2824824 1379.170521 490.5880089 259.2199984 1609.476345 1291.013435 1595.407912 1043.156184 2257.477758 4.07813e-08 1143.980296 4.07813e-08 1311.755797 Diosgenin 3-[glucosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside] 6851.715025 2608.701271 3624.3939 3306.748156 180.8395709 1292.125133 1296.73559 10470.29605 4870.948795 70387.77354 68923.59251 51786.53054 47448.5956 48573.66456 38106.51052 27929.74957 71904.34586 100468.5647 1944.238128 1400.108036 769.1666684 1346.15903 19.80704128 199.9076507 251.2224552 4351.525666 3625.34502 15163.58734 67774.63006 52594.53322 32035.38598 109149.2721 46284.21852 29942.33688 23620.55899 29109.00028 2684.974568 1714.095861 589.5620556 965.3813946 2554.885448 1207.295832 2479.607718 1384.702438 2598.306278 1823.099826 672.1902694 1075.721134 3626.54968 1671.110102 59359.12034 5169.547096 158137.6993 4254.623679 9,13-dihydroxy-12-ethoxy-10-octadecenoic acid 59612.38377 65221.21639 68855.03439 77607.44516 59327.2662 38875.56984 26528.69127 31947.66465 62015.40436 18405.06634 12803.89553 13988.65555 20692.87993 15352.88361 23095.70576 9652.361782 7442.524736 15312.36305 74551.9903 20539.49039 61838.61575 38218.03138 59947.8969 68471.698 27056.96099 27423.70655 20123.45393 7659.742966 14575.12734 17240.26738 16354.43198 16023.46374 10895.56372 17682.79855 9411.768376 16220.4452 33928.06185 30875.59491 57627.01875 32991.13314 28756.82574 48371.33707 65177.92252 21805.54134 66262.64602 20616.53893 16156.14213 23324.51663 42176.63439 35302.72206 12618.60011 42126.19647 13674.69202 63235.86246 PA(19:3(10Z,13Z,16Z)/0:0) 4.07813e-08 301.1008586 4.07813e-08 4.07813e-08 4.07813e-08 384.69699 101.6199262 3901.068453 2874.520204 7073.536657 6195.647326 15210.45454 8119.953829 15742.99871 9006.198757 9911.453236 34605.61725 43046.8186 4.07813e-08 103.930052 4.07813e-08 4.07813e-08 14.08598383 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38868.43242 31197.22801 17135.73307 38556.92754 47895.03322 20543.99831 24942.83674 17517.50007 23476.22965 10259.01209 4.07813e-08 4.07813e-08 118.6001692 4.07813e-08 3.853760749 4.218229092 4.07813e-08 4.07813e-08 4.07813e-08 3340.291198 1509.624059 7801.078014 6738.990874 34007.894 6859.947229 9885.127061 604.6404002 Histidinol phosphate 4.07813e-08 480.130559 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50.28767991 580.3185308 63.75591761 2660.264744 2369.13356 2083.895635 2467.270022 4414.960073 2225.080493 4513.032935 6369.424084 10447.50456 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12127.932 9781.932915 8003.259368 12246.21731 20023.4711 7109.956201 10901.47855 6102.502864 9373.35751 764.2080177 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 337.3486978 99.53474352 1604.845914 1418.284662 15513.32771 988.901149 4649.928331 972.1174443 Stearidonic acid 8272.774013 10318.13038 12483.23712 9780.061479 13112.02431 15494.01035 7613.171165 12101.60914 10633.7601 1924.827078 2517.743635 295.6292796 1933.59168 340.5595058 971.409201 1478.778416 345.410948 585.5608768 11517.80109 17261.57848 11097.38271 8082.655998 16882.10701 24397.32579 7482.046847 18780.97951 12122.1323 1032.18041 794.5447223 1986.861581 1181.652416 1467.649461 1565.06576 1690.362378 1337.869632 1423.760473 5680.852486 11150.08875 6554.400419 13691.12416 11047.16207 12493.26738 28444.96009 18629.37037 8324.659254 32363.45281 9679.474786 10871.45066 6029.502868 6455.503837 1028.099595 8846.384848 2134.67867 12544.03049 MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0) 4.07813e-08 135.7138314 328.7154583 188.1966262 335.2266665 4.07813e-08 141.8845455 4.07813e-08 183.3252262 2500.790535 4084.809386 6081.393271 2422.655789 25022.71467 7208.42384 4937.111527 24577.64184 8964.669502 116.4279372 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151.7434602 4.07813e-08 4.07813e-08 6172.711338 5058.605415 6871.835195 9517.548668 9043.675467 3516.31364 7866.295788 8374.968977 8335.020486 436.4266126 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4417.58304 4.07813e-08 3670.996215 213.1991994 2-amino-4'-hydroxy-Propiophenone 8877.335678 3132.806881 4200.195877 3062.85994 4118.203966 3109.608242 4419.922215 2704.420201 3374.595497 2715.918119 4475.78663 4443.697735 5093.507804 4790.301404 6376.695928 2903.61705 3819.811943 3891.585564 2512.830036 2692.393896 1916.780399 2894.288321 1988.085827 3423.111558 3547.547735 2986.232361 2544.291581 3691.576581 2492.734724 6060.668831 3331.014024 6499.810436 6237.559371 4044.997415 6236.040699 5379.930226 4248.511358 3779.022094 4632.789568 3996.482433 3997.444268 3852.912301 2040.143823 6830.234582 2118.881122 5254.215027 4452.550513 5199.784526 4116.002504 2548.144297 2063.658334 6076.251391 4905.006757 5255.474845 3-HYDROXYCOUMARIN 6561.564756 6079.509704 6555.449031 5819.560921 6339.907899 5451.837601 5181.437491 5270.703843 5767.548759 3859.70702 3684.283428 3923.937033 4067.069211 4558.372343 3296.75526 4950.907314 4237.628389 5268.893413 3689.847313 4418.822777 4171.102806 4432.576577 3964.895697 3880.441188 5037.435337 5277.379089 4726.733263 3875.898667 4194.72522 4886.690726 4828.792286 4232.932837 4928.780468 3798.071309 4454.011292 5234.025072 4896.237827 3983.012324 4561.786299 3658.025544 4307.480941 4560.442885 4611.668297 5330.956139 4707.800979 5082.05272 4715.404052 4377.496095 4931.148921 4784.598983 4136.915339 4894.360614 4777.70697 5611.868851 6-[(2Z)-2-carboxy-2-ethylideneethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 34653.91147 33415.11439 33217.42287 31180.56252 31231.28224 25112.98361 24390.39714 32349.22918 31814.65197 22833.94837 19037.59721 19079.42519 19857.8893 20711.1155 14517.32635 28718.31395 21087.06717 25305.11406 20768.52519 21555.56236 19939.59723 20074.51065 19279.30468 17604.37913 27402.23317 26822.69322 25937.63805 18999.90232 20863.16958 22136.76852 21735.04041 17362.39274 24817.96537 19474.74831 22566.01561 25311.54958 24218.21002 19622.73557 19627.65213 18671.63624 23326.08326 22969.3869 23531.15993 28386.42606 23949.56858 23333.95051 20669.89789 20158.61969 26200.57534 25333.10575 20462.51106 25180.13612 26627.2239 28736.98863 Gamma-glutamyl-L-putrescine 46533.8723 71740.57349 26240.3222 61614.32418 32175.4795 31906.88596 49734.6834 102194.281 89165.18092 20295.69897 17647.52472 17469.4714 17740.12224 11725.59525 16100.80377 10023.38603 16216.90581 22504.86886 13552.59015 24138.81175 31631.10691 11674.80472 21207.16763 24681.68863 17153.16951 6078.361262 14436.27013 19670.16204 15377.59268 18434.54467 15838.01581 16020.68232 14686.81288 21938.61337 15659.14968 14173.11428 16278.98762 21933.46648 22622.22136 35545.34459 11069.1989 14459.9338 14457.81085 10120.91897 2566.980586 14568.19152 23295.7708 19780.62334 36540.01246 68679.45292 14256.17801 19616.11226 21733.24451 17199.73976 5-Methyldeoxycytidine 13863.69519 9688.700702 7241.654951 8804.517129 6280.387451 9245.539073 8109.836252 5131.677246 10793.63145 10858.9362 17203.83121 9023.322589 12458.66875 5895.667896 9442.900294 8634.364402 7486.256841 12348.96598 24339.2552 16303.96669 18364.67149 19072.25898 17384.93659 13344.29043 20044.84341 28409.11429 21817.36035 21373.32144 15716.33352 17371.87643 12951.60487 22213.90054 19438.54006 16183.90747 12573.95475 10167.22597 20518.02077 13896.17687 18483.42736 16623.94813 18309.08589 15783.45091 15085.8723 26515.3975 26828.33492 10186.34043 11626.44094 14097.95946 15592.8919 13708.75003 17197.95498 15117.19867 16626.29253 10733.63894 Tauropine 17482.00731 9993.771709 5415.394931 6282.734509 970.9392664 7332.063008 3931.238939 8696.364406 6856.38238 2535.328512 30.31064625 18033.84874 3992.645403 10102.87295 22320.00244 13416.00965 60285.63407 32339.27062 4.07813e-08 683.7160386 4.07813e-08 602.2615071 4.07813e-08 246.0446187 2011.248627 4.07813e-08 790.8002334 17108.0221 19552.98395 3518.181618 29390.66958 8432.507669 4347.205749 13122.69026 31596.6276 15950.09981 53777.61637 4.07813e-08 390.0797994 645.2666593 837.8222744 1005.021135 518.0519543 785.0364443 4.07813e-08 12139.50298 16542.80168 16889.50056 23596.24185 32520.98903 16678.46382 10765.84913 8165.486955 15036.55683 Fortimicin AP 58222.94643 38855.61709 23865.18555 54247.32075 25449.13858 40477.91471 40274.87162 73591.18281 84772.07541 4.07813e-08 4.07813e-08 1604.193449 4.07813e-08 829.1284933 4.07813e-08 4.07813e-08 1458.347532 4.07813e-08 8084.736828 6834.551269 18885.07559 6843.775666 6161.034711 12042.61711 7440.735575 2342.555322 6350.447203 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1432.583365 4.07813e-08 965.5102427 4.07813e-08 4.07813e-08 7411.909759 13323.1399 23635.18154 10864.81138 7171.333858 6381.585183 8537.424858 916.9150782 2053.64812 5239.438704 24336.58898 22874.78612 35315.47974 50966.96486 4.07813e-08 21609.18292 4.07813e-08 11095.83053 N-Acetyl-D-mannosaminolactone 23810.32598 38623.41824 25296.4541 36171.57713 32721.19356 30732.75827 40245.24818 34952.68658 21240.93899 66697.72602 54420.11386 36503.53753 67217.21276 30719.51365 47123.72039 33140.98361 22955.06483 34014.2468 23600.48462 18109.47936 19430.17112 19986.54977 29589.09995 15560.25827 23138.91995 15639.69385 23307.49016 55962.54425 47043.20682 41575.89929 35875.81674 69012.43736 52965.1995 48214.86396 30994.66929 45665.1598 31003.95158 34348.15781 25595.45868 20994.09898 23930.49463 42798.64271 12806.00373 17071.09943 19517.68256 21943.97801 20598.52819 24243.19262 42919.99471 44110.9521 56752.27989 38800.56745 50417.85898 29144.80804 Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate 16681.27871 7452.542131 15916.48912 14717.86514 20372.72618 14277.32007 14748.50009 13490.56042 10553.89825 577.0086607 666.9750573 680.4924248 2830.54841 678.3762016 949.0789015 988.7399344 1859.346819 943.4672721 16927.8753 16206.43355 14791.53113 15002.65463 25488.59599 21322.65018 20519.907 13296.11823 17287.37432 4.07813e-08 1074.216849 586.819858 459.2323248 1971.766617 1493.111664 347.4596197 765.8276267 734.5161884 12198.55742 14517.93752 13545.58017 17150.27478 18106.37389 22196.55052 23163.63791 17075.60768 14464.00071 10434.80224 11659.43652 17104.23481 15264.36642 10572.9552 1979.313376 11343.13747 4.07813e-08 21492.31938 N'-Nitrosonornicotine 33402.33253 41234.78337 15562.6831 36799.85935 18136.13089 21129.37079 33464.6028 51081.87057 77279.9135 8542.356317 7205.322683 9604.965755 7922.853827 6329.067752 5404.970585 6159.282561 5711.913058 8738.250955 11165.64173 11673.8687 16042.80288 7765.666227 7452.85545 7866.962803 11375.64819 11240.84044 8604.047988 4275.145816 9995.765171 6330.829874 6517.350227 8680.757833 5743.337361 4678.643235 4598.121975 8241.107195 6770.125442 9385.652718 14005.5736 10688.19517 6392.44605 11222.07279 4734.350135 9630.681618 4451.915929 4982.908621 31527.93023 16392.95941 29652.21267 40176.37393 7607.446663 29244.72346 8103.104786 15178.78661 Fumarycarnitine 34223.98797 33004.60225 41516.76435 38487.31365 53812.23685 35130.31318 34619.54237 31394.7638 34112.10882 36478.92549 36959.77736 30016.69437 38660.87551 31225.54305 32915.53168 24231.42543 27552.66731 30340.54509 41845.73202 40950.38144 40555.35512 31630.66574 46245.75309 37316.74017 43456.6901 42104.19278 39552.69144 26828.80487 31306.57591 37779.88411 28549.18292 49698.20953 37878.47186 29048.62499 18018.94035 35121.73691 35691.29674 36256.9642 39466.61158 40439.52231 33234.29545 50526.53382 36474.05099 45963.32876 39282.89682 38363.24219 42897.06336 38468.56507 47267.48708 44817.62042 43793.85621 45681.15257 40361.72792 49791.67177 Zanamivir 24614.24399 66006.41324 20338.87896 39685.68208 26496.11371 22711.68387 43540.24753 56069.33075 56425.70987 175654.1842 150956.2298 110483.2189 187567.7599 81071.21619 121110.5693 88069.02303 98443.90887 117027.3142 14718.09313 14517.46259 17894.83988 10658.62898 17681.74878 14147.45091 14715.5385 13657.34429 8823.277071 126707.3143 136449.6703 117305.5585 105350.8035 117824.842 113675.8504 140267.2584 94796.49504 109798.7702 9507.767761 20039.69765 16106.22818 13557.79093 11380.8482 20606.79533 11344.56138 15987.01228 12369.48142 5670.435474 26823.07383 20092.19208 41875.18417 65873.28766 125347.2571 34270.10511 115322.8924 18297.61911 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine 9092.961543 8190.692251 3845.115542 6987.385875 7207.453231 5059.144032 5321.324401 10538.34687 12452.67889 18747.13568 17957.4538 33408.15118 24240.87582 22060.11587 28791.47679 35006.89863 46289.12205 42227.83257 804.0503435 197.471918 2138.560581 1.991275891 333.2868934 1538.287351 2510.288888 36.40482552 1865.901836 45837.19549 30061.3864 36104.56242 40166.35164 34293.83847 32396.66852 29076.89017 36088.81425 28784.0882 4.07813e-08 2534.509973 2313.817368 3009.926215 1100.990481 793.3104203 1538.983174 1392.249256 1902.96436 2718.257778 4949.489256 1121.526458 6449.261183 9456.358749 29224.48918 3917.907262 30897.89342 5192.682969 Metixene 15256.19998 16224.6262 12336.00932 12110.55413 12475.67077 10123.66345 16796.20712 16776.80648 12109.84115 19796.80591 18339.50045 20889.78523 24311.24469 14273.97504 20167.33858 26076.58615 12285.1162 18000.72816 13705.70907 6494.43439 9535.13971 8755.899351 9426.933732 9951.419104 9120.605644 14123.59291 10595.9938 33298.74119 24989.05863 18704.2892 26517.42346 15458.51525 24693.27624 34599.45951 23544.36976 18696.5436 11236.0001 12438.72637 8604.413738 8281.87274 7836.080536 13315.59902 6483.090136 14983.2039 14069.75781 10524.50448 10478.08025 11593.79055 11963.84076 22750.04614 21433.96779 16994.7511 23143.35456 8127.015307 Tricaine 2429.391134 442.713522 1862.715867 411.3405826 1040.725089 1464.417582 1501.721396 211.7532731 236.6220523 262.8178567 674.3278697 453.8488778 939.0896963 831.8720911 1291.4559 378.3570341 335.6088326 685.7225337 4463.627722 4009.549436 1769.148857 3610.415611 5281.123307 3896.471706 5089.872826 5584.84874 5476.113855 723.376399 322.9421453 480.2374057 179.4833714 1194.247024 927.5077178 546.5898203 837.7808509 644.8320849 3684.779721 3010.098493 1679.800586 4484.539574 2516.139804 4761.990471 3639.485893 6352.497223 3689.679037 4078.556049 4428.344138 4315.565892 3261.150398 909.0735092 337.1676085 3417.627558 532.7498095 4134.450545 N-(4-amino-2-hydroxybutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid 8227.530135 96753.03046 20882.39267 17965.93954 14405.36769 9774.016297 9554.695496 3642.195642 5555.269751 40886.4367 58132.87668 10830.76789 66137.56365 24150.88197 4259.565142 10010.28843 13598.75047 8497.979457 9887.536788 10549.68507 21794.51724 9576.342679 9622.792926 8389.790322 11404.28153 9287.067138 10471.7247 6336.110629 5981.488344 41383.09171 16247.63106 17332.49434 9998.104074 27474.41474 14083.62843 79479.69481 14648.28996 14989.91303 14051.53838 8766.826449 8959.158858 10472.88939 6032.880682 13601.74823 16349.354 8342.177614 6401.387929 6272.106171 15272.46402 107623.5755 12617.80058 14828.23831 31045.30709 13226.34464 1-Penten-3-ol 314.0259758 218.5094756 789.3560149 184.8160664 399.9828425 229.9015535 424.0848183 292.0923725 390.5917059 4.07813e-08 165.1501119 52.78939283 4.07813e-08 83.85310513 47.24237177 404.0795781 231.5728672 190.4516035 67.94999082 129.3685098 707.9700253 365.7200678 2854.604714 218.9538258 656.2072228 70.93175158 318.3376641 151.9954008 4.07813e-08 76.77528284 277.2069976 52.73544319 268.3102019 4.07813e-08 286.8765118 104.2967684 295.2939083 517.2887308 643.3893401 198.0615987 272.0194172 716.5438047 440.1698822 165.7143714 69.64155867 252.0286927 145.3477263 395.1790878 475.0747699 493.5698123 203.7972148 167.2234159 82.36117161 279.6923106 Diethylcarbamazine N-oxide 7534.045913 5425.076857 7086.252421 4583.733451 6628.170824 6543.542703 4410.060247 6237.457662 6395.190729 2454.592846 3287.532553 2067.864568 2644.634661 1019.40539 950.1951029 98.82037924 4.07813e-08 1380.973081 11192.56023 13575.86495 11472.07951 11339.84716 8621.783604 7795.095216 6390.83027 10975.03555 13681.38452 991.9813367 1405.262861 2458.012756 1481.294671 3219.109427 2198.411811 1604.088643 23.57155021 413.6804988 4647.992847 9988.315175 7286.683151 7981.686319 13724.56356 10011.06954 7808.91705 12702.70266 23859.60699 7198.436778 11569.68457 6992.93854 6705.481989 6537.05921 3623.133218 7832.911441 3467.383161 7022.915306 Depdecin 44202.50428 31184.38343 37540.37625 33252.9678 49006.67009 38635.66023 59332.90496 48349.74884 42124.07198 5883.744067 2966.514723 4352.815403 5570.473389 3002.10242 2521.188649 3264.244 1071.882789 6094.440026 35977.53242 87313.15774 24676.31236 44076.81837 111420.1812 110533.5904 85479.02714 58153.30693 91677.80443 15090.37315 7948.21262 9069.459152 10755.08988 13344.71508 13543.09149 14952.63609 3607.12509 5865.140568 44281.94796 50028.1938 21838.56239 52363.50816 64168.89528 80076.6198 103896.6246 57605.60948 70170.16175 83439.44308 54197.85409 49518.58498 29505.56865 28232.77325 15064.33332 40930.31331 8915.655525 78351.86314 Arg-OEt 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2301.682064 1986.573981 5575.660828 3598.03739 4505.919403 2301.47108 2591.069988 262.4759515 2088.474833 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.75746313 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2303.529271 2142.493344 5767.139992 3118.430312 2857.954326 6015.835013 4955.174247 4007.987638 4132.102345 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4200.205801 4.07813e-08 1820.614313 4.07813e-08 1-Methylpiperazine 257.9840836 265.0311664 323.8033054 220.7807136 131.3486331 138.7884377 361.5398881 194.7069544 132.8361948 269.0614835 246.6638036 137.3207723 297.3105512 171.7409143 229.3801217 83.45154775 213.2683577 190.6460586 483.222235 541.9562581 609.2918938 397.983216 396.3884489 443.8288103 319.2721328 395.1734417 409.1198157 56.86513614 145.8351434 120.5401501 144.9734766 182.1831457 191.1564452 195.6472012 102.2766251 132.7175362 276.3163238 333.0091106 339.1042275 372.0809137 331.732212 435.0042438 361.1557406 370.0070946 435.8651305 238.9326562 234.8378705 317.2672622 219.2258123 181.2434253 195.2704867 295.9566611 45.24462503 317.7511379 Dexmethylphenidate 4.07813e-08 333.9449053 4.07813e-08 361.8712949 4.07813e-08 525.864425 426.5726948 1324.183478 644.0567933 1070.985891 1137.747519 1656.737712 940.1462172 759.2556524 2663.520758 729.8660598 1490.245407 2292.68743 4.07813e-08 4.07813e-08 2204.85099 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6743.296906 4756.269538 4138.951201 5848.618472 6563.420302 3354.704553 6649.658572 2639.36058 3208.113406 1028.178642 4.07813e-08 2481.550769 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1797.954653 2357.249344 7259.963734 450.9068153 5598.804357 4.07813e-08 Tryptophyl-Alanine 13832.05992 9215.290965 10777.52728 8580.680593 10270.62324 12306.45263 12717.81476 13810.5528 13914.84255 6001.100742 5198.310586 2068.188434 6768.6301 2629.216077 4605.318875 561.1176022 1671.514705 5278.387252 19201.32265 22549.07935 17511.14192 16284.77326 25534.81687 21560.32173 19301.48437 19088.31671 21483.43735 4434.461881 3400.52768 4924.256655 2383.643963 5438.302323 2185.870041 5175.772135 1167.612824 1953.397153 12227.88749 16141.55181 14474.91886 18251.26487 19658.86748 19220.92555 20871.52429 21250.23143 24551.42318 15526.77363 11315.01534 10981.42282 10305.38075 9885.508927 5965.659171 11519.70135 3220.816782 18637.39098 1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol 4.07813e-08 1796.779474 4.07813e-08 4.07813e-08 166.7318132 141.9402413 4.07813e-08 165.259309 627.4942903 105.7159749 4.07813e-08 188.3472602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 111.1821642 4.07813e-08 4849.693183 4993.531376 7213.594567 2480.08749 6954.384048 1299.400239 8231.458953 4131.962467 2693.627297 141.5330831 4.07813e-08 158.7891697 4.07813e-08 140.4031942 4.07813e-08 4.07813e-08 4.07813e-08 307.390141 13013.46937 3781.089697 14984.68796 5827.577804 3741.904515 6755.898577 179.4403951 3971.159857 4523.479205 16833.31634 143.7426121 64.45005872 2356.259127 509.3322711 133.014032 1578.138057 230.8443937 4447.107816 Quinoline 4.07813e-08 136.394754 81.96726495 41.61582478 4.07813e-08 123.0855522 4.07813e-08 38.58575789 4.07813e-08 588.5602191 562.8540886 594.3367641 642.8315914 409.2090851 496.619161 365.3740595 753.1755636 849.5247918 30.64392494 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26.41448596 98.2232011 4.07813e-08 4.07813e-08 811.3033813 688.6429925 648.5041019 866.5850577 730.1431528 783.6804257 942.6007567 487.4013993 561.6299386 97.53618481 30.26506092 35.86064726 132.4106828 4.07813e-08 4.07813e-08 50.32678744 171.3857106 4.07813e-08 4.07813e-08 35.79918957 56.82114908 4.07813e-08 4.07813e-08 723.7971943 4.07813e-08 757.7965204 4.07813e-08 N-Benzooxazol-2-yl-guanidine 853.6701334 199.2302234 458.7146026 714.4618409 4.07813e-08 226.5423495 560.5840211 190.7965322 694.4256617 2688.94652 1678.76159 529.6913798 3383.591646 559.9711437 2438.598937 2955.859925 4078.492798 4258.649274 4.07813e-08 4.07813e-08 96.10394818 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1469.406312 2301.947174 2080.249676 3550.782867 1576.244825 2226.237685 3239.021073 3833.113626 3246.885637 2897.393942 4.07813e-08 308.1844013 197.7360873 43.26046486 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109.9962261 198.4379979 156.4441874 400.3086037 979.568242 4.07813e-08 1823.847851 62.97137262 1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol 2656.656157 1779.095488 3669.481436 2266.550798 3804.56641 3053.145575 3651.029857 3292.587469 2365.790172 64.99241255 70.53525811 225.0814272 0.117788759 116.9801068 379.0321959 77.71074811 4.07813e-08 53.58704072 5132.2621 8099.572085 2614.091783 5800.053797 11324.06066 11984.30798 9008.766972 10004.43027 12284.08932 260.5388834 87.19076031 66.4603822 130.1712382 4.07813e-08 0.001012015 268.5234929 394.7085678 73.88611472 4368.041076 4457.412563 1809.201947 6367.496882 8414.220924 8704.15925 10873.30383 10285.75417 10192.17535 8226.7626 5678.257477 4539.083455 2943.520204 1707.436293 63.79063872 4562.013492 75.22690619 7506.1383 N-(1-Deoxy-1-fructosyl)alanine 1507.859061 3151.369077 2293.505089 2505.168687 2871.291104 1541.583489 2210.852109 1554.681942 1437.082904 4324.302866 4505.858114 5296.4465 4646.725384 4525.363789 3343.697177 2889.276341 2125.131675 3465.866044 2573.964822 2334.868691 1850.897933 1682.70728 2301.584481 2528.872104 2082.065681 2796.725828 2724.474767 3258.986121 4061.399026 6120.28308 3299.594062 4721.093624 5236.29778 4363.254939 2511.008863 4153.475279 2371.751301 2015.59404 1949.872384 2202.809152 2296.329288 2981.371939 1718.113195 3721.440206 2447.235398 2632.61269 2749.724822 2318.369544 2347.906153 3182.318532 5216.244779 2794.836679 5080.478082 3171.525777 xi-10-Hydroxyoctadecanoic acid 59550.04316 59733.7501 56827.14433 51896.35951 51147.51616 42273.35331 39363.12741 57997.31367 57277.47932 38428.15859 32227.56568 28852.38346 31724.67303 31801.61589 24231.33633 52200.81841 36408.68234 40499.73656 37174.49807 36437.52041 33504.91728 33940.8335 30049.94003 31396.13809 47809.57934 51410.78044 46831.81821 27827.63809 33803.31323 36540.79158 32877.87662 29683.13521 42648.07286 32493.16046 42674.57411 44711.17367 41536.24911 34252.9148 33012.1896 27284.29977 41629.12601 43256.81235 40396.20412 49192.25496 43249.87095 39316.12333 34530.29419 33049.83037 48911.65331 45412.03655 35468.01315 44392.25168 43290.90938 49601.60829 Proacacipetalin 4705.308302 4284.543766 5496.895725 5024.164896 5401.525551 4372.025524 4839.890005 4950.679001 4235.640234 6682.419982 11714.2527 7258.771196 7288.830701 5778.824946 1848.847928 9342.456396 1752.470472 6303.937749 7398.692747 6016.221917 4358.861856 5618.2563 5986.860127 8366.329432 6738.132844 5309.4367 6640.841663 1550.263543 3996.53138 6987.227381 2903.42572 4609.996054 2200.587006 2940.074592 762.8840379 3570.143127 5048.341195 6197.293264 4678.299567 6280.954918 5816.648389 6695.010056 6635.229421 6543.260562 7058.1643 7563.034144 5646.022891 3787.840477 4651.120828 4938.795148 2851.049236 4986.99458 4137.173726 7067.288728 Tetrahydrofurfuryl butyrate 1158.907324 3404.328688 3837.556048 2216.701186 3137.736428 2639.427509 881.7551421 2178.526376 1760.321874 1230.958467 1385.749456 911.6096624 1550.296227 946.4242055 373.8947788 376.8754175 428.9543475 363.7499317 3762.283883 2355.304862 5888.398174 1525.010225 1793.47493 3012.37455 1650.389054 4398.860494 3349.022835 572.6204942 434.6869051 909.3160301 511.9359235 962.261803 1174.658279 933.1946576 498.3801793 1557.163143 2087.760637 2522.338317 2974.125245 3624.753204 1408.043206 1696.187756 2954.46564 5164.471499 730.7745779 3541.357902 318.2627809 1765.01284 836.6442794 4049.637758 1131.319798 1843.876189 597.5630109 521.9247577 Dehydroepiandrosterone 4888.239278 6240.790993 17014.93809 9812.464817 12454.62161 32734.38867 21505.03637 19803.98081 17419.82894 4.07813e-08 4.07813e-08 53.37400283 4.07813e-08 58.01934819 48.56280804 4.07813e-08 101.5877292 4.07813e-08 12602.777 32955.7301 23598.58657 21224.32091 22798.53008 31887.99851 18076.76032 7832.210224 2381.071502 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.02053144 12999.61308 13623.62332 11883.01593 18579.65738 32815.36224 11990.65407 27065.53064 6987.708242 666.6146807 46316.75461 29463.3057 36404.99045 17229.36959 14426.25147 8812.297397 24539.03615 1522.112512 17392.62775 Melinervin 14360.85938 16774.71313 52018.08399 31292.54247 38974.98058 93218.48217 62226.7512 61808.17256 51056.09639 4.07813e-08 4.07813e-08 125.2413033 4.07813e-08 4.07813e-08 357.5692232 4.07813e-08 110.8255116 91.38337056 36379.36727 102589.1465 73186.44111 67396.59136 71208.70253 106698.6629 63429.76454 24476.24617 4965.966242 4.07813e-08 139.7042789 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 455.6975992 75.65216564 4.07813e-08 36563.35273 36647.47897 40018.32324 57277.34473 91696.93211 31592.5725 78504.15136 25932.9391 1581.229927 156739.2863 91758.39756 116044.8834 50967.8446 46696.5557 27341.32075 73500.44292 4142.274141 48321.74303 Fauronyl acetate 1522.840225 674.229712 894.1192068 2301.312314 2001.770899 1063.634656 1281.401163 856.8788405 668.9397955 372.6630701 281.74055 366.0437832 589.1947963 554.0491917 514.7736863 356.6568133 346.3762776 493.6406954 1548.457912 1075.245261 1572.95951 1249.25748 6808.069524 3167.16285 1684.043825 1611.169974 2627.503314 158.696822 66.46062288 541.8482148 597.7082009 205.5926737 198.0959412 234.5591853 246.7667767 83.63990284 1288.686028 1074.64409 956.6517804 5371.407752 2812.04526 3070.708239 4312.974731 1502.455137 1752.55658 1147.611242 592.7671587 822.2390889 706.4586961 569.7715038 266.5604032 646.017212 355.4594856 1225.625892 Lotusine 2782.832339 2781.92522 7513.020799 3096.632895 4645.056263 15254.67013 4741.915594 4723.811748 6531.75452 4.07813e-08 110.6557535 4.07813e-08 4.07813e-08 137.9755216 38.12448792 50.98494044 132.0763144 90.21958985 17263.90091 22903.14493 16654.53646 17429.86617 31736.01075 42755.31965 19716.12197 5276.119713 6139.420211 4.07813e-08 127.5926482 50.07670729 44.87207738 51.84305403 62.68899501 4.07813e-08 198.9032604 4.07813e-08 4468.033214 11787.2944 10594.58238 18773.68873 17538.88514 26428.00784 37399.88884 5461.302287 8085.644221 33838.18011 13339.77437 16779.33368 7926.457086 4659.928583 113.8466051 12709.87485 4.07813e-08 8435.116162 Arginyl-Methionine 467.9035845 4.07813e-08 282.5594505 4.07813e-08 346.9802634 628.9186042 122.5092942 11.60660423 561.2488907 4.07813e-08 3.050274832 14.92954161 4.07813e-08 1.245792339 4.07813e-08 27.8918531 4.07813e-08 66.96480024 1614.770294 2469.997914 1623.246148 807.2068202 2820.222551 3702.850137 2151.735477 12.46620629 214.6503023 7.349745743 4.07813e-08 12.84507904 6.420102524 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 271.4499432 970.7629837 799.723328 1666.365814 1932.488783 2909.712771 5137.481656 4.07813e-08 219.70346 3258.401711 984.8958396 1859.140414 673.1319414 329.1724602 4.07813e-08 837.9025463 4.07813e-08 394.651846 3-Polyprenyl-4-hydroxy-5-methoxybenzoate 9504.735377 3980.714932 4656.146524 5521.704608 4309.577285 7155.200587 7154.132022 7053.428495 5749.672289 2391.10551 1600.838037 415.8698207 2502.684069 1759.526792 1504.064762 168.3804506 2854.746759 1240.020134 2009.943118 1376.520415 6011.662086 7573.730532 3098.011253 1756.762087 2424.505996 1552.574956 1388.398084 942.1430574 457.6901655 2033.478631 2369.901387 10702.22455 1700.005169 912.5607956 2120.726583 4253.412324 12707.03294 4464.855815 7425.587907 4360.820742 2547.36289 3435.945381 1015.233726 1035.303851 2150.121184 1250.326832 4277.033234 6062.125129 9314.045173 8760.372824 7801.978942 3923.04865 2933.709999 5775.287681 N-Arachidonyl Maleimide 2749.039366 3474.230327 3307.089281 1712.912223 2768.372509 2656.80772 2531.166895 2974.431896 2125.671389 1591.350095 1558.860282 1528.935992 1620.403577 1460.856838 1413.887834 316.9264998 450.1177693 1561.850214 2206.570361 2797.961843 2280.060733 1751.396622 2498.065163 1404.050364 3141.170649 30003.15982 52878.25555 974.8279312 1858.641428 1219.001931 1460.694199 1712.287162 1272.152961 1398.01366 716.6731334 1839.416452 1966.863246 3263.007798 2635.168069 2187.368167 1843.044346 2156.735425 2421.438428 20223.90454 10055.67356 2555.675163 2270.666429 2627.935987 2456.365752 2629.756042 990.0269028 2175.92225 1837.704514 3439.666041 D-Sedoheptulose 7-phosphate 16863.49648 16072.6899 17811.78809 15362.30224 15689.06539 14161.20501 15351.2618 15557.98411 14498.92664 10883.49391 11569.41618 10570.0444 11391.89791 12519.68333 11526.49376 13016.45019 8566.773364 11544.33215 10591.43964 11350.05333 11098.1814 11208.00131 12936.95413 11620.82084 12360.02297 12130.28971 13446.24551 11031.16534 13096.81642 13928.73539 13851.65769 12356.21454 11914.51679 9945.984068 13800.04805 12785.48151 12905.9141 11747.78201 12472.32439 11708.51381 9756.653783 12637.68947 11666.25159 13649.59802 14157.50287 14388.76324 13599.023 14022.70691 12630.1531 12361.35098 9348.372942 12869.87771 13255.93298 16313.55272 dehydro-beta-Ionone 5095.624668 5197.128865 5004.207891 4774.377181 4950.474835 4341.06539 4740.271329 5061.998858 4593.031384 3258.655959 3006.974822 3293.317835 3187.447998 3601.747743 2972.139119 4644.714541 4342.958998 3718.200479 3482.811919 3871.442031 3410.495035 3844.847131 3529.343989 3799.506158 4060.637715 4309.200799 4089.810253 3222.958508 3585.681027 3818.796885 3780.474127 3184.2579 3501.645239 3289.882048 4399.078114 3906.869128 4005.107233 3570.980057 3824.790839 3352.436671 3532.880609 3670.644769 3717.286071 4753.213578 3634.70473 4200.368896 4007.137218 3980.742852 3711.086973 3877.596822 3261.192759 3777.330019 3644.19578 4883.294945 (4OH,8Z,t18:1) sphingosine 8415.309283 8822.746383 7332.051076 7882.978341 8130.863711 13456.69486 9423.135074 7975.541804 6928.046372 5318.637136 5560.850311 5478.879548 4776.818692 5350.840281 4834.979821 6468.998951 5354.4481 5620.402383 6406.104808 6159.504119 6807.262162 7244.651315 7211.014481 9441.152695 4695.727497 6475.553854 6346.478737 4634.226256 5367.999497 6223.952517 6480.774579 5663.36058 4553.972551 4525.235521 8605.791522 6781.693174 11161.17194 6010.75845 6799.217735 6083.34036 5931.502476 6320.979029 8030.363138 6658.05334 5224.994828 10644.26488 7282.465716 7841.22055 5320.67214 5184.156549 4861.75303 6598.271574 6591.565538 7464.883396 1-hexadecylpyridinium 2458.789418 3142.242627 2315.447083 2457.792287 2275.881616 1680.364611 1948.670632 2262.31592 2281.227009 2587.435226 3983.008618 1453.462323 1998.428453 5640.601436 1263.712798 3679.949701 1436.85401 1935.34868 2070.414955 1767.79991 1783.165426 1568.757553 1255.047068 1223.64432 1739.426598 2449.668139 1746.308828 1547.730311 1709.836109 2763.714104 1733.548237 1491.945844 1382.330187 1702.172029 2273.350821 11932.52412 1650.144851 2147.793164 1888.185747 1670.6666 1065.114363 1391.952802 1525.180631 1426.28397 1464.68952 1952.558821 1800.491458 1424.752102 1860.737446 1865.402712 1082.426941 1631.020344 3698.459413 2054.211409 12-O-acetyl-16-O-deacetyl-16-epi-scalarobutenolide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.435129604 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 775.5069599 4.07813e-08 713.7431582 2548.04 4856.831212 12997.6888 1372.826142 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 306.4684348 4.07813e-08 4.07813e-08 4.07813e-08 9835.472802 4.07813e-08 4.07813e-08 866.0133252 4.07813e-08 1135.731214 873.5406164 8769.015267 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.144946189 4.07813e-08 188.2461477 4.07813e-08 650.9949771 159.1212287 4.07813e-08 130.5813808 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 780.7049163 4.07813e-08 Strigolactone ABC-rings 7992.023873 7219.160449 7249.692948 7135.531631 7707.381431 7241.849185 7070.918951 5808.996135 7108.993745 4171.671431 4326.210803 3531.470315 3823.622883 4708.575948 3654.541471 5648.993351 3886.801403 4550.322174 5658.358261 5576.303841 5942.8071 6057.194155 5779.020649 5594.946551 6535.725957 7302.754439 6619.72064 4572.42553 4556.461627 5099.884543 5673.769562 4571.381512 4166.759792 4117.199291 4613.891342 5512.056334 7800.679701 6569.579074 6420.301991 5873.724672 5915.478792 5564.214758 6150.018399 6531.95389 6287.037007 7059.667682 6416.806073 6736.717797 5982.788353 5584.301811 4968.582717 6295.955199 5221.745641 6185.927211 MG(15:0/0:0/0:0) 173.2962785 162.3254438 1943.714617 359.5603216 1640.340186 2253.448249 360.3062877 1121.563276 541.7045485 17.6701394 4.07813e-08 37.0601244 20.23329531 4.07813e-08 15.91302675 30.88766332 4.07813e-08 34.91788386 1162.115692 3129.254945 2304.464635 1103.826887 2862.922859 2467.663064 1036.07207 15348.04217 4771.701558 4.07813e-08 19.6618346 88.55653933 90.40777312 4.07813e-08 4.07813e-08 18.59508368 4.07813e-08 4.07813e-08 233.0009342 1487.882381 762.4577038 1536.513452 1766.342204 1744.567448 2706.871058 9290.079735 5177.716887 2744.502376 1445.364189 1141.349899 730.8781413 205.8369553 4.07813e-08 1257.910216 26.32821572 1230.468166 19-Noretiocholanolone 10407.03252 11068.82383 10318.56508 10275.23334 8925.226959 8781.574029 8230.579417 10017.07342 9231.372835 7610.15046 6454.309743 6129.282888 6971.314941 7114.127224 5981.23014 8439.746839 5460.03073 7600.481185 7044.4548 7272.717617 7153.604256 7335.265056 6043.977986 6164.858439 7582.352178 8761.679178 7969.693196 7195.706748 8027.907766 8422.401855 7994.307194 7104.210174 6377.263161 6676.631908 11158.6815 7828.487737 7805.791714 6962.427958 7438.691678 6816.532259 6636.164691 7290.869653 6862.868252 7896.294868 7537.27529 8515.634932 8212.499867 7253.729457 8531.024576 6375.646293 5684.259368 8551.823424 8075.607088 8930.673299 PA(O-16:0/0:0) 5592.414018 12436.59198 29136.16841 12878.11429 15598.76563 38084.26501 13521.55223 13636.88314 15840.17756 4.07813e-08 255.0514412 330.9218651 4.07813e-08 63.83442063 865.6320154 4.07813e-08 300.0639973 0.231178452 41393.01746 31955.19674 53138.59934 43915.03032 42022.56989 49742.33654 40026.23493 16048.81194 18749.72834 4.07813e-08 4.07813e-08 4.07813e-08 3651.356312 4.07813e-08 4.07813e-08 13220.99106 4.07813e-08 528.7550766 8218.740406 9983.682408 34323.52109 43550.95516 17511.57783 54480.97025 37053.85632 12850.32306 36764.55034 97708.53378 61127.23703 33042.88467 15941.68038 12194.69758 4.07813e-08 32694.10275 4.07813e-08 22022.0408 OOB-PE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1037.016746 496.1227575 4.07813e-08 4.07813e-08 675.3861247 4.07813e-08 2627.578096 695.9945885 2592.812424 5119.112723 4.07813e-08 736.4718611 16263.03887 4389.78208 4718.238657 935.1621043 1223.121075 456.1813572 2835.513787 2820.601065 4057.020788 326.7593345 4.07813e-08 366.2903722 4.07813e-08 1712.627062 156.558922 4.07813e-08 4.07813e-08 4.07813e-08 269.2216993 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1356.904237 2725.045887 1879.20254 2047.644641 3127.175357 742.2295464 4.07813e-08 4.07813e-08 1030.802522 348.4267322 4.07813e-08 2150.021181 beta-Triticene 1667.328964 1167.640618 844.966311 911.7970935 675.0168167 2033.960761 1513.434621 3138.506732 1501.992225 482.6774554 345.7224722 341.1385254 456.1636777 543.2974822 218.8823087 482.2944844 423.1003679 55.6941387 906.545986 1189.523521 1384.568249 1591.910893 1686.474055 2435.791946 1383.065025 1381.506205 1693.268569 375.4246765 467.1134324 427.0428721 309.5211092 390.7980771 421.7306562 432.0229358 441.4726532 884.1221096 2030.255684 1534.700668 1366.837529 990.3720396 945.4426718 1836.495347 2367.136174 1264.231633 1869.661122 584.5034433 1014.211236 1636.674442 1477.48995 979.3191117 577.9496804 1455.705063 746.2942324 1902.562639 Thromboxane 6539.594123 7432.842567 6976.243067 7159.918682 5581.830115 4847.666364 6405.426533 7186.278672 6659.587184 15230.04408 10360.38157 5334.936316 6585.605543 9273.940677 5121.03242 9313.815818 7712.556249 8401.314009 4895.045477 4666.070683 4282.71499 4172.55399 3611.413831 4608.640853 4880.876411 6357.951284 5025.622419 4144.196243 5059.708576 6341.872724 9650.325351 4634.682067 5273.722506 4996.862202 6432.439836 7606.82333 5552.781168 4285.902306 5003.442733 4029.795151 3998.850601 3559.059278 5669.90093 5417.864107 5484.687371 5155.639185 4645.332252 4702.563885 5493.326012 5613.937902 4236.599817 5716.342183 7526.730014 6693.943116 Ecklonialactone A 11275.83285 12197.34951 12118.93579 11820.50057 11673.16571 13251.38392 12423.68895 8732.64669 10438.68562 8996.778144 15788.54034 8285.907418 8913.741768 13294.42589 8414.585948 12837.47392 6931.65123 12578.20932 10647.50438 12213.52241 8708.274889 9558.326538 9209.262673 10861.95214 7733.223462 10155.9142 8665.495403 6638.108427 10258.07656 15985.71948 10928.63938 11409.25069 6442.187282 7010.704616 12440.65653 10895.54205 11313.49593 10670.56827 11038.9596 9526.820976 9658.05967 9202.494498 10931.00452 10549.58897 9547.78456 12277.5282 12814.27901 12147.39171 9028.539238 6734.246914 6674.398418 9738.038606 14637.8051 12430.93859 Linoleyl hydroxamic acid 2841.123269 7503.264128 3129.248321 6010.144182 5040.891581 3088.361193 6632.826907 3337.186001 3376.735141 3578.423097 3202.76955 3949.781589 3592.327195 3927.49534 5357.277063 2463.371429 2007.769396 3587.777361 2518.229572 3138.477577 2992.914605 4263.66634 3385.897495 3603.563314 911.444053 4777.046547 1988.883679 3454.43915 2368.758493 3385.382089 4327.099531 2733.166193 1473.194939 2024.476469 43883.04447 3260.751674 3193.746281 2651.863831 3170.389105 2755.864409 1940.473994 2091.050089 1954.440294 2839.415085 3786.298357 6995.670145 3348.910307 2816.898772 955.3907672 1147.135868 2306.784145 6512.62872 4270.197877 3172.061871 Hypogeic acid 48201.7193 43976.9164 56887.04488 66172.86213 58640.33811 51497.81399 38789.46371 48393.70535 54296.32981 40709.39615 40167.49396 38937.68954 39809.93721 39699.61314 29189.24246 78359.69418 41217.75542 45446.71585 48172.85347 48295.44111 35405.53659 34469.26894 33523.376 47430.06951 40140.95847 67173.28242 45323.29923 29842.19024 37474.37471 50689.46274 37858.51815 32998.10848 43374.14584 34374.82491 50372.55713 51118.24913 35153.79162 36940.86564 33077.94965 27828.27136 34903.10175 33172.45511 46693.08738 60617.37781 44836.02506 48510.8501 47009.83609 41054.84789 39416.63971 36751.08804 29889.7656 48243.34836 47974.93183 48146.45533 9-Pentadecenoic acid 21786.56818 20831.84309 22369.11896 21766.86939 20364.28638 17756.14161 18578.37042 19044.0384 19350.60173 15443.99113 16077.31208 13319.22493 14264.37323 15586.13596 12305.30536 19378.94235 13694.05787 15261.70571 14756.49587 14081.10446 14469.00785 14363.70344 13368.10026 14377.24837 14421.94069 17880.80462 17821.38388 13320.68764 15538.24649 17220.86577 16120.52986 14313.92971 13748.34773 11296.11027 16761.21344 17227.51144 16911.10709 14270.59408 15452.58928 12707.85857 12347.60057 14416.45943 15348.4915 19424.24382 15421.06954 17231.29956 17099.08433 17110.87477 16755.80428 16317.00224 11773.99024 16917.30478 17173.34206 18183.93492 Dibutyl decanedioate 168.9617541 4.07813e-08 139.3088783 5.57409803 1469.914524 1490.321786 123.9806542 4.07813e-08 484.7122242 135.1552042 298.8177679 102.4251746 379.1316748 267.9377619 72.45580833 4.07813e-08 425.1634861 4.07813e-08 2565.382148 5880.69105 705.8634312 233.8382738 388.2807643 9065.867943 1625.942875 582.0607259 2741.792454 90.85765053 98.73371579 114.4652555 4.07813e-08 4.07813e-08 118.1313884 4.07813e-08 4.07813e-08 167.8458577 6.730989385 1248.013867 4.07813e-08 77.75898034 213.9187837 4.07813e-08 5303.144104 1745.940239 1046.049629 12142.35494 7142.497523 2726.781757 4.07813e-08 4.07813e-08 4.07813e-08 2540.94756 252.0774521 3614.705623 (3E,6Z)-Nonadien-1-yl acetate 1316.720965 1602.123608 2913.695401 1668.244545 1911.427319 1174.196223 1113.143648 1270.289335 1379.179095 4532.589042 4591.979501 1832.39409 4726.595229 2583.497436 1169.32713 4285.054569 2400.251144 1684.735473 1338.976524 1422.607306 1122.45001 1108.799558 886.4311727 1189.400458 716.7425237 3794.77686 1010.663833 1345.280116 1879.891606 4716.286713 1209.475742 2732.30883 3517.656406 979.5765274 4641.657231 842.1981852 1053.760054 1182.579777 1124.96601 1092.860139 685.7627861 902.7209826 1014.560814 3262.24673 1613.775275 1320.565188 1298.272873 2081.178074 925.2195837 1093.948316 1073.031438 1923.624907 2900.285458 1217.613181 Wuhanic acid 17861.67366 17541.10012 17271.99608 18398.19872 19287.02817 16180.26515 16019.1911 18278.44831 17886.30404 11823.57794 11398.19092 11892.67286 12069.92925 13282.67134 10697.60733 15374.93413 9933.273589 13848.85928 13181.09077 11782.92648 11136.84207 13430.70002 10859.64285 12095.70832 13653.50313 14142.28024 12968.26627 10717.68259 13808.12364 14756.60092 13758.42124 11853.02862 13223.89192 10461.68761 11876.39744 12571.99422 14601.34896 12999.35629 12377.71702 11815.52742 11709.90302 11989.45553 12788.60772 14795.75416 13013.43545 14124.35948 15310.06399 13511.53553 15417.61556 13845.06849 9483.433119 12509.99942 14290.05019 15666.37096 15(S)-HETE 1924.986066 2436.749482 2858.669114 7501.109734 5025.038206 6329.994481 2492.697868 2391.11426 7574.541175 28194.69145 22065.93583 11504.14727 21155.5057 8227.807671 15248.46752 52883.43451 12913.55842 8722.442768 11868.32616 10303.85572 3136.400695 4712.658436 2313.347458 8128.099979 2728.109268 16316.43294 4250.108874 5253.768569 7502.029363 14094.46769 10449.47578 6476.00071 17039.20689 7547.100243 16867.9802 11226.90478 2854.801913 3928.676647 2897.592615 545.004686 4451.027288 998.0797506 5501.477601 13353.95342 9475.108248 7079.621476 10737.50692 3783.140203 597.2838177 776.578249 5275.076945 6290.230978 17025.57948 3273.970369 Docosanamide 411284.7371 423081.6754 418538.2211 478105.4381 405863.7552 367497.4698 361170.6987 384604.934 383390.6648 272877.6782 254382.3544 240703.7055 253091.8098 273496.715 219445.213 362063.8966 236911.6847 273162.7586 266715.9838 278684.4645 268464.4374 271864.1767 262913.6348 269799.7118 289513.9799 330462.7915 367236.4011 237088.3953 280071.1736 312615.4013 353208.7891 262955.0997 263800.478 233841.7327 288557.1013 305616.3295 334220.5386 283045.3194 295324.2512 253965.9112 243548.5129 268908.2612 284476.318 328756.8907 356980.9584 325109.5431 296910.486 291899.2147 304233.5563 355111.8846 243464.2038 311230.1455 305115.8348 364471.945 Linoelaidic acid 1665.597774 2378.049812 3656.703088 1571.622515 2739.179137 2057.422572 2294.98789 1358.728646 2805.177608 6256.796978 7133.395934 2008.914581 3821.910717 7970.739418 1100.776341 16999.5663 1661.540413 2650.952805 2152.695776 1869.622371 1133.971155 1477.677062 1876.40917 1939.846425 538.3972655 1103.888986 1633.867921 2332.444205 2297.016822 3859.308871 2709.571627 2071.063404 1897.484244 872.0212821 3114.368201 4907.434322 2813.194002 1854.801289 1979.056035 1771.784719 869.2832588 1824.984442 1350.700657 2143.83566 1421.24306 1772.792911 2223.654553 1906.223331 666.2420053 2086.300253 1364.976792 2487.597931 5538.005645 2374.221817 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid 118196.3841 125376.5548 125691.5398 112642.451 115193.1049 102395.0749 106679.4952 95053.52947 94912.83843 93915.2477 80999.96974 77665.8949 77298.88905 88876.64704 67697.96605 105253.4454 73707.08175 93125.6225 93143.81857 75752.00083 84447.14687 74464.37708 76566.04047 79092.07806 83453.76846 89883.22347 88762.88924 68185.82937 80598.28832 85418.25746 90934.86674 86285.69463 89255.93777 71254.30811 77673.38305 97672.54309 90154.21461 84977.04427 73126.25464 74798.58291 63833.70499 77424.08203 79530.04822 96458.03211 82822.43227 111391.9889 91801.42526 89146.48172 94402.30455 99177.33417 63102.24563 80744.5339 101382.6131 101842.0599 1-(2-Pyrimidyl)piperazine 68917.53576 62928.97845 62027.68226 64232.26593 64734.33254 54134.91295 60087.54 58642.05795 60948.08371 42770.57766 39702.20545 38398.93076 42577.16638 44384.81185 36375.28727 48490.51763 37179.11188 44440.05241 44086.8702 45296.7095 42396.60728 43348.74462 42222.05427 44473.82722 48024.05921 51679.62069 49868.8313 37461.85158 45622.85862 50083.97513 48832.77055 44607.961 41273.97979 37368.28931 45819.03602 49887.24244 53170.62972 46087.08839 46883.51464 43733.08066 41883.22874 42993.68734 43781.88993 54907.48032 48479.95783 52578.50183 49759.69351 49507.40945 49579.77516 46388.0633 36616.05825 48708.79746 48933.13843 55216.73338 DL-Phenylalanine 9179.663158 4299.652298 4993.374479 4591.143259 4659.407909 3787.745078 5397.438141 4437.60395 6822.449617 3753.115024 5411.708733 5988.526098 5150.788742 4451.270353 6579.377482 4576.827603 4325.445708 5021.079554 3283.30504 3176.922442 3574.416343 3456.222341 2846.372865 4342.327876 4376.703192 4812.018668 4086.662393 6604.665764 3869.321034 6383.597394 5951.593927 7021.167581 6700.939265 5593.622563 7039.011414 5959.285114 5211.133439 4338.97276 4733.659575 4712.953038 4450.825572 4206.331012 2767.750653 8739.681435 2596.200716 5417.237298 5405.326424 5536.732562 5497.710509 3972.818626 3065.648694 7205.932373 7754.698234 6107.82208 N-Methylhexanamide 269.9433315 43.57648196 225.6662919 98.7222512 115.47617 168.8326753 84.74174287 259.3619053 136.9485069 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19.96769131 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 408.7780967 480.8112942 351.9646455 413.2150755 663.0466896 599.0197243 515.7127495 578.7661938 587.5035623 18.5000546 4.07813e-08 4.07813e-08 4.07813e-08 18.32525515 20.13191785 4.07813e-08 4.07813e-08 4.07813e-08 143.9481217 437.1318345 455.5471292 453.6043321 451.5701935 564.9559376 665.4257305 579.8731605 603.5768375 387.8248103 135.1847566 284.3770907 250.1451967 137.3380407 4.07813e-08 315.2594941 4.07813e-08 452.3424201 2-[3-Carboxy-3-(methylammonio)propyl]-L-histidine 4702.242929 2622.512429 1742.982092 481.3245298 705.7795697 2757.036665 3070.206864 4884.452318 3518.868676 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6896.250118 6971.218731 6460.677519 5105.327201 5841.46533 6286.195795 4291.799662 7205.553486 6412.79854 135.7792056 4.07813e-08 4.07813e-08 5.865841156 4.07813e-08 11.66975866 4.07813e-08 17.50048219 4.07813e-08 4215.252443 6192.190224 5820.597413 4839.881446 5476.155015 6167.10281 5131.520144 6315.474683 8845.770598 4328.333713 2804.51213 5155.911296 4768.492701 2858.409027 4.07813e-08 4899.879104 4.07813e-08 5173.624379 (3S,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane 1130.521099 901.4622349 1310.446625 1307.284258 1512.109783 1371.581022 1410.650542 1786.22791 1470.516417 118.2335434 33.96188774 31.44620592 4.07813e-08 4.07813e-08 50.68082234 4.07813e-08 4.07813e-08 242.9264418 2596.86976 2371.672475 1991.295437 1989.152357 2750.077388 2351.135332 2154.787304 2645.499855 2508.202914 26.83493182 4.07813e-08 34.16641382 4.07813e-08 72.83436121 33.16940251 51.38503324 41.42731616 4.07813e-08 1611.832711 1941.953552 1790.327152 1970.511139 2243.625812 2735.050179 1860.077864 2979.388703 2833.451798 1425.057869 878.4306575 1536.823648 1369.763954 1277.72489 162.3454457 1375.744536 4.07813e-08 1366.829573 DL-Tyrosine 2405.868907 2080.933278 1742.743532 1058.832818 1162.423793 2334.345016 1961.173614 1648.986397 2005.160302 666.3874448 540.9215011 325.6485486 783.3397743 492.7250806 544.9915706 361.9065613 384.8750053 620.5160973 3183.668544 3009.914827 2757.978908 2914.514316 2789.354627 2905.857285 2655.003121 3708.892425 3053.280375 652.5308134 440.9534211 689.1407496 656.9575132 690.9773444 736.8978017 785.7045694 494.5413393 285.7264541 1543.943236 2544.687906 2507.727325 2819.505661 2628.324651 2897.86418 3270.1186 3226.959359 3681.098961 2662.183907 1976.776531 2206.558279 2403.733631 1923.384583 704.2945671 2513.221271 877.3216883 2691.303612 7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate 1505.91593 1364.622198 1496.057141 1507.848266 1343.562534 1144.471514 1220.073026 1424.993525 1636.610878 829.5084044 1034.355236 691.9079143 776.6277256 940.3576872 662.0678345 990.5830946 827.2767067 852.6120795 1120.623393 1263.139737 1209.931554 1008.099513 1144.887075 1231.564733 1459.764648 1419.548128 1557.953685 666.6415089 643.7127229 866.7314811 968.5451594 807.8891786 1125.809766 869.4302756 886.9939293 848.936923 1258.22841 1150.491989 881.9168433 1380.191867 1050.526633 971.0866029 1383.109065 1049.623475 1135.709567 1342.062822 1370.808378 1075.252788 1175.594658 1303.530134 796.8691394 1224.775815 1095.60808 1467.546189 N-Jasmonoyltyrosine 5541.661807 38175.917 1896.981612 4364.417982 1245.080642 3365.804941 5851.560246 8572.827359 15856.69103 43738.78137 43641.64158 17544.5327 103322.3039 15073.47692 1687.000644 653.0007854 2263.121409 3851.712708 1421.809702 1045.961135 1587.569234 337.2823483 1438.930793 793.8093329 510.5723347 4546.809649 1529.709508 20294.06725 1232.660314 829.3547805 978.5809764 2797.128836 28305.72364 2121.171447 569.9840841 1902.23484 1360.042696 959.3064995 1289.411178 3342.989347 178.6886444 393.5980069 235.6254938 3098.24297 817.3418782 401.7183 25000.55284 4723.057796 44880.61572 167845.5434 10450.96585 7511.523271 160474.1337 17189.69843 EVERNINIC ACID 10315.92578 8723.255899 9518.314154 8971.330977 9407.595099 7789.898479 8194.005764 8868.317897 9700.750995 7220.865904 23666.23391 6637.596737 6197.815336 9417.757037 9436.307413 43046.47815 47450.24136 8176.704531 7609.019588 7474.961044 7796.991181 7778.151983 6000.489702 6425.254698 8161.115397 10063.09772 8784.191653 27146.55699 7236.061862 64584.65389 7290.211585 41406.69907 26291.53397 8251.913367 35354.07664 32413.88065 8679.594449 7903.763597 7552.338157 6933.218071 6011.247383 7678.941248 6687.269977 9889.745162 10071.36221 7858.322327 7513.612221 7646.397419 7425.061483 8195.845729 13336.94537 7397.766332 21192.45669 8726.042786 5-ethyl-3-methoxybenzene-1,2,4-triol 1093.210574 880.8336927 1194.410908 971.8688651 1319.024417 1132.604216 1162.114804 1167.289981 1057.076447 650.2331842 651.8330748 687.9781459 759.3278676 742.9323098 540.1421362 1056.127649 631.0650949 788.0350023 919.8096038 1144.44547 1019.262472 930.4456121 939.7837757 1092.796601 900.8361568 1252.317405 1216.036695 622.0555568 874.8746509 589.0647477 958.814734 770.6363941 820.8650631 670.7097153 814.3001392 1029.933275 952.2218771 838.8090568 1013.756893 924.3663097 1128.750392 972.6339005 954.5698433 1300.437631 1253.09989 1049.232809 1024.451394 933.2137583 1157.29611 1212.600037 765.4905672 1028.259193 877.560872 1198.554937 Butylone 12741.747 9909.828204 14341.6004 12828.7992 10958.44404 10265.98844 9983.918624 11570.47597 8578.254922 3985.70521 3387.871393 1314.986266 4584.234813 692.425937 2501.011977 508.5607009 2961.177978 3176.368363 25107.75096 24502.7284 23786.72707 22696.39993 22521.70192 21768.14172 24570.16761 33933.98936 26710.11101 6174.515502 4551.521341 3814.779061 4843.810729 4756.637123 3064.74633 7467.574033 3329.269686 3495.630355 22361.67502 20644.99342 20645.12202 31322.67714 20892.91363 24341.87687 20650.72533 37056.6189 29306.64767 14150.66273 12977.17503 13308.03504 11775.18016 12864.68987 5458.07948 15168.08303 7295.801881 13846.22521 Tyrosyl-Methionine 4.07813e-08 4.07813e-08 4.07813e-08 128.1079087 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3243.190614 3775.189868 3151.731549 4813.165336 2348.50789 5432.420398 4235.840437 3054.896794 3429.609783 4.07813e-08 4.07813e-08 82.14110812 76.02387271 71.64419399 326.5406597 4.07813e-08 4.07813e-08 4.07813e-08 10066.82238 5968.581656 9600.356696 7274.474986 8532.11676 5802.805311 6884.228258 4561.750668 8880.588599 306.5154449 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 102.4599907 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 459.0155401 8300.622267 4.07813e-08 5699.94572 204.2847943 Ropinirole 9571.053677 4670.895888 3944.182827 4558.186462 2900.880238 3977.042535 8555.718508 17253.15458 19847.14898 18.54012863 21.66410863 27.09190092 26.86425365 26.41739574 11.32345823 41.47178716 26.26457664 32.01526137 1380.656516 1560.668915 1699.078163 1040.345281 1870.725294 2791.896536 1198.298102 41.27967527 6672.857374 18.96105638 16.36751972 15.7271045 21.09696699 24.83475818 27.03094107 27.06194389 32.1438165 24.64861025 520.4392094 9610.253064 4855.050269 1961.943644 2247.921059 1499.031625 5201.100669 993.7958932 59.31019259 3010.406481 773.0409619 4805.316083 4443.169552 4540.436533 15.20187683 3703.556218 19.38861919 5164.889162 5,7-Dihydroxychromone 4.07813e-08 304.2665389 138.4050959 56.39221192 104.3177657 130.2795318 4.07813e-08 56.54949302 51.89960753 1097.63147 895.5076068 375.3445253 2219.739953 533.3874991 130.7156451 244.5040463 404.1048336 655.8955355 77.60300651 98.61006227 185.6809737 40.97438291 107.3255804 34.93095817 47.66703684 125.3398741 40.21386007 228.8505899 488.7945765 693.2375383 604.4314209 1428.743039 552.6606922 415.7017082 350.1417594 1514.114927 74.69229443 42.49101926 144.5158153 74.81421396 31.35328208 36.76791324 81.81075395 46.78419074 86.02143632 145.3803601 111.1682438 31.92762138 156.0950693 227.7831156 847.0017555 139.3473875 411.4327051 128.9688255 Phenacemide 63.15595766 134.3253861 306.8823294 332.0430918 730.4772287 462.3348053 385.6554642 385.9522741 126.9880473 34.19466913 32.23438394 67.07797978 30.49233426 88.30238532 212.9754472 4.07813e-08 54.83932623 34.4019797 1034.141003 705.3759081 1051.445219 725.7031169 1156.906106 1033.095404 860.3781255 1561.358132 1392.360954 84.83968227 103.7592494 161.7629268 327.8023128 164.5579624 213.3466068 597.5438997 119.6123216 248.599499 843.1490808 1303.374544 992.106987 942.1949091 568.1166952 1167.482182 1276.517458 1559.182897 1409.526262 590.4587638 368.3508443 851.7997199 720.1424225 538.5625839 95.13152593 590.5063918 112.1251631 1142.641063 (4-Ethoxyphenyl)urea 937.8289978 649.9539592 1632.539422 524.5856793 1485.949347 1185.325943 1409.263313 1265.48041 950.9173487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4688.18303 3197.053827 2877.744466 3210.688193 3388.976924 3829.753967 4338.386415 5632.810789 5240.588513 26.72514424 4.07813e-08 4.07813e-08 4.07813e-08 66.86593195 55.53767611 29.35044008 4.07813e-08 4.07813e-08 2124.97084 2613.343169 2717.842153 3381.23365 3631.08002 3563.350333 3884.522043 5338.211394 3802.262315 3328.243907 1922.952025 2696.969317 2612.800293 1787.633664 63.64446065 3116.513647 4.07813e-08 2159.517819 bk-MDEA 4455.018342 4052.563496 5307.487119 3046.147441 6984.034057 4807.720861 6554.513158 4896.430288 4585.797217 1712.088911 1124.464487 1302.554413 1809.553821 1196.48183 1203.29418 1572.937023 1135.974346 1413.559028 8583.944596 6938.556625 9036.329565 7957.340712 10231.14542 9052.391899 5215.643954 3443.237842 4934.384324 2409.846873 2101.935693 1872.566385 2748.778967 1897.512711 2088.40354 2617.256777 1179.245599 1927.66291 5830.370142 5633.917221 7847.845524 8950.447667 8127.60586 8790.983244 10296.22387 3597.691252 3416.600115 8383.68079 5338.500012 7127.391779 6521.196437 5268.286045 1779.173967 4944.009608 2285.848585 2730.228527 Phenylmethylglycidic ester 8064.027086 4893.084019 9075.522671 8032.160798 9729.990645 8874.42375 8612.718477 10272.38897 7052.08968 227.6441231 206.2682374 99.36032239 391.653036 4.07813e-08 38.09250272 4.07813e-08 73.03796665 305.7344867 16009.17879 21046.75875 7155.577631 13982.37149 21572.79716 22013.46269 17209.87956 21746.9148 24170.39349 82.4937508 252.154443 116.9918644 242.6767378 196.5808952 174.3298653 233.5271203 142.9155646 217.8185771 10352.49512 13958.94523 7455.106581 15042.70256 17018.19667 17393.86289 20099.96426 20954.68822 24282.2745 16101.53422 12329.58532 10889.73669 8264.201682 6597.305386 392.1367081 10105.47682 4.07813e-08 15067.90298 L-Methionine 2078.849857 2022.171059 2382.981563 2945.177857 2673.788246 2235.567293 1841.136001 1694.339984 1518.126709 194.0538024 171.3084894 207.8987302 132.9809495 212.3640897 31.13788925 270.6082477 203.190222 265.6874443 2312.34582 2084.557329 1872.409596 1909.606246 2258.18222 2363.964966 2044.181224 2552.898659 2494.078263 128.7854591 172.145703 132.7327362 171.8509259 148.2840486 223.5605932 229.7390888 341.8689762 315.8063645 1726.985381 2119.155171 2063.7315 2042.260458 1834.920547 2425.148698 2431.315668 2538.654491 2483.303677 2340.291841 1607.051714 2151.127046 1765.771988 1489.836959 243.117268 1972.682779 211.7633049 1602.875151 2-Propenyl 2-ethylbutanoate 170.4405747 70.62087518 542.4460588 752.5947349 786.2564785 492.7995369 1012.956224 76.38567554 39.43072828 4.07813e-08 29.05694449 89.78184455 4.07813e-08 46.91368529 22.9557593 4.07813e-08 4.07813e-08 4.07813e-08 3228.650484 3141.007813 2337.011182 2466.816384 2725.335468 3080.294294 2518.319075 3508.848157 3671.850759 134.1564151 364.404069 91.88135805 130.8771105 174.5169167 174.5231573 632.3626943 4.07813e-08 4.07813e-08 1620.9573 2778.265483 1964.787763 2641.131524 2670.864822 2612.048689 3106.413542 3647.713884 3485.948422 2490.149216 1694.390569 2064.750577 1892.974228 1677.660443 288.9527119 1961.834163 201.5197635 1861.594217 3,4,5-Trimethoxycinnamic acid 1039.150732 811.4154705 1863.673047 2448.579434 2596.633347 1373.712778 1946.788549 1752.92341 471.2301966 276.3054762 180.3920267 540.1396169 446.2379592 404.9946691 83.73681186 49.45219536 92.26188297 99.57410669 2293.352815 2851.894855 2026.522816 2186.67177 3459.817737 3151.10009 3229.425718 3057.83581 2765.402347 313.4161699 138.1127874 469.9557592 212.0621184 329.7691847 313.7410078 203.2478796 4.07813e-08 246.6846894 2140.568112 2440.953809 1651.244138 2168.316201 2116.635967 3683.782102 2943.73062 2189.458199 2999.649273 3730.906079 2120.302066 1710.403711 1753.250467 1831.842263 516.5504841 1774.327081 351.2934804 3342.00161 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate 1124.962948 1191.519379 823.9441326 1188.304463 1184.404893 663.3219238 732.2450244 744.9188489 928.9765342 644.1059738 568.2676026 324.5980504 392.2714343 583.5633226 392.2270981 172.711126 96.81436618 330.1304012 1090.651213 898.152897 815.9241001 994.2971117 968.4639581 1033.135133 1046.692088 1306.464017 939.2919127 4.07813e-08 211.5320058 195.8969975 78.28562102 366.0676754 187.36726 281.5383724 190.0037128 502.826489 762.0212115 1145.098467 845.6653571 745.5853201 847.692172 1129.025181 1025.873887 1382.33931 1044.624402 1102.038487 889.546657 926.2697807 905.6934531 723.4599972 457.988891 925.9027095 233.3780601 1100.812435 gamma-Diosphenol 4529.718817 3157.380395 3912.717109 3234.384888 3979.813636 4711.441893 4921.343966 6714.211174 5001.350826 931.5421597 847.5083392 688.5006495 467.8681429 802.8495901 663.6694181 946.3467771 521.2329362 929.9487864 5654.369844 5963.248348 6025.282546 4763.801174 6326.717065 9037.670927 6120.932716 7019.395252 7840.021851 383.9227669 793.9627758 713.075574 650.1148814 971.7686272 843.6428974 1157.316831 732.8034084 709.9810867 3434.702631 5011.259697 4909.662609 5831.069109 5580.066317 5755.013093 8726.529233 7767.928206 7709.733057 6696.409168 4868.61125 5051.601512 4292.881654 4053.285089 898.4931337 5065.912141 810.0765418 6474.209911 L-2-Amino-3-(4-aminophenyl)propanoic acid 576.029613 875.5693882 798.3081861 741.3241065 1313.560581 1111.018686 1278.33533 792.3556593 301.6339031 438.5680527 162.3555892 26.85138474 718.3976995 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 305.1322046 2593.911465 3139.200252 1978.529472 2678.314525 3037.871188 3900.096817 2838.663433 6636.891625 6255.991469 4.07813e-08 34.79997728 4.07813e-08 4.07813e-08 39.65614234 4.07813e-08 64.73463187 4.07813e-08 4.07813e-08 1737.599752 2667.237619 1510.058227 2493.215845 2625.697296 2658.854923 3691.650752 6185.570113 6437.262205 2983.004743 1113.004962 1430.053247 1489.650799 1394.150534 30.64324551 1588.226033 152.5296415 1282.038303 epi-Tulipinolide diepoxide 11282.37305 23768.7467 478.9441273 12888.63182 2493.857056 1493.495237 10967.16892 6530.758985 15088.37971 17198.67137 19363.95818 30006.24036 17248.83883 27098.49771 13471.29079 19918.94304 9662.512131 18300.01275 91.32803349 37.20159193 102.66602 110.159717 356.8943299 4.07813e-08 90.89767974 54.24954026 4.07813e-08 13745.01349 16453.70463 28720.73386 11956.28042 19276.91171 28804.8682 18128.9293 17428.60014 25566.86325 8359.912436 600.1379749 166.0194516 4.07813e-08 114.3507864 227.4121129 4.07813e-08 104.7694501 68.17739697 167.0087564 539.9742612 1842.040671 4672.959359 14105.05915 20946.4339 6959.820367 15553.71732 2315.141171 6-Methoxytaxifolin 4.07813e-08 7488.421578 4.07813e-08 4.07813e-08 98.29093335 4.07813e-08 1984.825999 3148.221454 572.2248505 5425.904336 1703.004564 1586.031602 5242.49095 2296.022759 3527.030925 1739.702874 3276.719928 2198.137726 4.07813e-08 4.07813e-08 4.07813e-08 107.2652243 4.07813e-08 4.07813e-08 104.4599994 4.07813e-08 245.484938 8212.869523 5899.466044 2406.506921 6179.619811 2820.942339 3907.650369 5742.058178 7120.208634 3929.654144 912.6553291 4.07813e-08 195.2257173 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 345.1795684 2042.731912 3504.682175 3686.193379 827.584839 1878.381494 1820.267739 D-Phenylalanine 867.3078275 2598.227159 1149.169905 1585.809856 919.2916705 1138.805408 1668.952912 2070.663639 711.9802413 5473.915238 6559.175771 4506.066979 5739.578748 4193.785922 4807.221037 4307.725354 6932.795092 5084.370749 303.9738392 162.2249502 1017.008149 404.6768981 600.7492835 798.3846523 598.6006192 884.7046625 279.2197214 5497.137573 6552.396817 7015.756493 5237.923784 7967.24479 5597.221155 5394.833566 4484.378781 4979.619623 1645.483552 860.8998852 495.4239223 378.0850949 604.7400567 744.0930073 455.1087077 772.9639217 446.9775933 450.92912 522.2556348 923.3658236 1669.130746 1306.903485 6822.78655 1501.457407 5718.681897 1413.256563 METHYL ORSELLINATE 1334.208686 1131.052459 1570.53462 1180.439524 1512.93601 1368.064403 1410.232052 704.3245541 630.6434135 367.1423809 436.7473258 532.2224835 425.0945038 416.95347 279.5643038 601.4072836 282.4372999 368.0868596 1122.832651 1218.876633 1321.301989 1250.229336 1704.264911 1578.259938 1258.491899 1646.372673 1667.867509 317.0757725 544.6832701 597.1466676 534.6895805 591.1559469 528.753661 436.4768278 771.5022948 695.9476084 1493.15587 1755.933137 1513.360493 1058.151699 1516.187203 1555.564941 1532.351924 1995.201375 1362.862254 1920.001122 1508.064981 1372.211029 1024.250641 1106.983661 483.4081027 1113.102241 593.1488771 1295.150524 cyclic 6-Hydroxymelatonin 1709.397704 608.8945213 1290.77849 899.9197081 1708.014455 1467.064595 2011.51193 1405.686534 1389.973597 188.7569492 534.4743475 4.07813e-08 649.8928183 8.450274143 69.34303766 4.07813e-08 56.35194288 702.3545941 2816.334847 4084.713039 1215.354683 2044.690266 4043.779319 4052.219232 3488.622348 2581.424849 2984.890354 435.2326557 394.6703715 186.3900047 362.5924137 371.0200656 348.0147171 675.909511 115.2213015 4.07813e-08 1869.80948 1937.862794 1599.516283 1535.358892 2720.117185 3448.024252 3929.110647 2138.470222 3691.084153 3460.564269 2136.737113 1737.463793 831.0739127 368.9008502 716.5449727 2235.167029 545.0331436 3075.91778 Lucuminic acid 4.07813e-08 264.0778748 4.07813e-08 4.07813e-08 4.07813e-08 1.447298784 4.07813e-08 4.07813e-08 4.07813e-08 13257.83056 12600.01996 7075.417814 14025.46357 4757.494525 7920.156562 3525.613625 1864.550731 1675.424238 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.81371952 7981.83831 10399.92061 4744.431081 10903.28857 13150.31457 7641.775142 11868.49636 3851.035049 4853.85184 4.07813e-08 4.07813e-08 4.07813e-08 129.8208019 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.962222691 4.07813e-08 4.07813e-08 13097.77974 4.07813e-08 16549.38396 944.3864557 29-demethylgeodisterol-O-sulfite 772.0063594 1688.026941 609.3153048 638.2776502 8.278807145 613.9661106 1718.589489 2024.89401 5632.185953 3876.133591 6285.054344 4881.578884 5295.127407 1913.768126 7717.36708 21972.48644 5929.909913 4644.737164 4.07813e-08 41.43366918 68.82994059 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 147.071378 4.07813e-08 4090.070228 6541.557695 7034.013043 4443.34104 3438.524049 7140.832081 3713.579184 9196.697761 3563.724983 201.523167 92.29653681 209.9279521 91.26290147 20.55204722 4.07813e-08 268.6031897 4.07813e-08 4.07813e-08 4.07813e-08 1684.745622 429.7899063 849.7060778 2212.476105 3238.296186 704.5757011 2981.950226 76.36352368 Validamycin A 1286.343173 10911.20324 254.891167 1290.5476 336.708074 662.3015197 2890.004356 3352.006442 744.0963652 46642.04225 30437.68549 29783.46931 46083.56341 18422.25576 45940.10176 11372.31452 33610.07841 49237.18784 4.07813e-08 4.07813e-08 381.0837375 4.07813e-08 267.376671 139.8422708 697.7551971 743.2494948 221.6686289 80102.03253 76198.86231 17957.58706 58339.36196 47046.3964 59302.55076 109150.6337 22254.50895 18670.17994 13729.91797 205.1167293 1790.410767 183.5012819 139.6872194 215.8204108 4.07813e-08 2311.394015 4.07813e-08 4.07813e-08 92.9375029 257.0596695 4908.970121 17136.79574 88563.87237 1435.16732 82689.21372 768.6066178 Mucronine B 27357.88984 21727.57373 11592.63117 9273.592692 4466.214754 6106.793322 9946.038955 11434.86729 10554.68052 2471.578826 3054.40413 2581.346735 3892.362964 1728.863825 3458.659824 4.07813e-08 714.4036798 2528.710274 1380.837429 3300.664762 14911.86914 6480.737782 4.07813e-08 4.07813e-08 6683.022225 5528.941366 2256.437204 2268.267547 4073.977396 3792.543546 3440.277712 5285.772573 4310.105804 8645.09026 2448.905692 1620.774231 29603.89952 12008.69591 9102.894655 2471.331771 988.6627756 197.7049264 4.07813e-08 5459.269265 6554.879612 4.07813e-08 598.5596999 5587.905251 9936.686043 13962.38634 4940.649737 6490.163888 1269.73162 2893.417311 2,3-dinor Fluprostenol 4.07813e-08 1454.049691 4.07813e-08 1290.136458 50.14096007 311.8418602 622.2033071 258.4403752 496.2981457 13530.46652 10569.11296 10081.98184 14660.28524 11109.63589 8080.55578 5174.833735 4911.357629 8519.577953 195.2828989 4.07813e-08 4.07813e-08 4.07813e-08 126.9086296 125.4344196 4.07813e-08 4.07813e-08 435.9044191 11054.83776 12485.82884 12770.48759 10072.86591 14989.58183 15010.98765 14270.11511 6679.992547 10107.75564 1542.767831 84.55103296 4.07813e-08 93.13210576 293.3179102 4.07813e-08 4.07813e-08 370.3423088 4.07813e-08 4.07813e-08 411.9754518 686.9295338 71.63801568 1265.469877 13757.92888 99.96432741 14496.37025 943.635271 Flumetover 9871.814972 7103.058773 5753.720332 4701.802753 3138.947413 6190.426754 6781.736272 5068.339922 5970.570695 5648.447733 3424.298527 2238.471921 5697.883831 2424.58709 4189.697523 1083.246144 4964.449349 4248.970555 14096.1363 14267.41773 9537.604212 11571.96676 11716.87443 11856.52062 11790.30782 8722.854027 8656.237984 8274.777767 5437.646491 4431.508258 5042.433058 8593.902494 5252.930907 7709.781639 4190.802109 3401.71673 9153.796843 12388.26869 9549.614307 10399.65123 12014.82917 12026.771 9548.099963 8356.803186 18420.75441 9636.952873 8245.755277 9313.1645 7710.519503 9113.519627 9186.971032 10480.03278 6184.588586 10228.43727 N-nonanoyl-L-Homoserine lactone 4811.448215 9352.72407 5536.433696 4014.074547 5415.401539 6017.52683 5779.720798 3933.6984 2917.317114 3528.400358 5977.053631 497.3841998 5573.908395 636.5033924 454.5342034 149.3712916 1168.12821 545.0379918 9010.966921 8979.229184 12092.82248 9150.113615 12060.18423 10254.92931 8205.751086 11500.89877 11682.34961 455.1418499 322.097328 2427.693127 1516.125284 1067.180948 793.0814814 4403.451984 301.8803467 5731.148906 5794.039672 7638.440109 7921.70591 8185.887963 7742.260868 10490.31218 8662.945405 11205.76865 13449.5418 7611.78605 6168.222297 5498.094329 6041.365703 20634.88285 1156.514242 6430.455573 2782.514873 5757.964066 Cappariloside A 10289.52553 24903.48722 9904.182061 15534.05727 9639.539412 10828.47669 16322.53598 24647.02673 34044.14459 14451.55665 11106.12928 9909.275045 16277.06346 8651.398565 10950.93009 8230.170595 13850.40981 16275.93248 2957.727429 4900.955367 6915.901679 2067.294037 3311.370956 2826.359028 4584.753547 3659.577951 5249.138761 16261.38633 10739.01492 7317.661762 10342.47105 8767.70718 7589.633168 10512.74687 12023.46764 10517.9869 4815.201316 5201.663095 5963.529272 6022.590047 3058.729066 4213.047728 2048.213505 4130.422427 2207.965 3381.746369 12981.24175 8395.848406 14484.26031 25628.73592 9554.502564 10506.47482 7648.003344 7608.262211 Ferimzone 7341.201314 4750.561727 6393.756354 6408.635925 7869.324354 6957.155925 6406.354447 6687.242607 5686.512168 2864.548228 2386.885679 3088.920215 2812.424417 1792.950845 2369.083635 1651.106622 1114.023343 1573.652587 14277.97798 13907.5679 11983.5474 10212.68497 14386.42732 12757.72899 16004.76485 15909.56121 15556.20043 2911.916494 3087.588024 1637.166954 2305.441106 3278.109255 3270.013115 3440.774421 2013.789952 978.4524063 8411.141349 11695.50759 9848.872735 11572.26608 11874.31102 14754.68499 11733.36953 15320.52844 20490.75943 9543.161472 6510.517136 9014.798347 7079.843577 8072.602087 2913.190743 8500.72125 2508.380649 8376.336409 PA(O-18:0/0:0) 1471.938002 768.4161229 96.87820153 239.9358736 4.07813e-08 4.07813e-08 107.8759542 130.2467034 2345.134604 10362.56104 3916.722933 16753.46932 13983.92099 8091.211167 2044.781121 585.0778046 514.0466958 719.1851883 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16682.0316 29792.00524 263.7185205 27669.43714 1996.869542 6851.400018 14.31823155 4193.061807 16982.21104 4.07813e-08 4.07813e-08 4.07813e-08 217.3853747 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 441.5695448 269.3039037 922.4664915 813.5104361 4832.930392 401.4026573 24475.36194 4.07813e-08 1H-1,2,4-Triazole-1-propanoic acid, 3-ethyl-4,5-dihydro-5-oxo-4-(2-phenoxyethyl)- 21041.0969 25975.38843 12428.39891 18081.52066 11393.31905 13050.02583 23270.67165 25815.26251 20252.49756 4814.981886 3592.698807 4071.975454 2903.07238 2668.45223 4592.906995 2260.090614 5145.248126 3305.669439 10646.8809 11799.45892 13530.15107 7641.23184 11854.3226 10382.00861 9249.948154 10664.88414 8923.997907 5767.874246 4656.02477 3161.348901 5427.617496 4954.280362 4221.462239 4767.784138 4100.551777 2900.911969 17197.96092 10589.09222 12679.66273 10724.0391 11530.87342 11748.3192 9959.189462 9147.541112 13083.85324 6249.483849 11970.27915 8379.091636 18041.94802 18797.07263 4633.072823 8914.91524 5586.494677 7045.573388 1H-Indole-3-methanamine 82869.24078 57367.60464 61921.84622 69548.26791 56639.76456 46095.41091 47556.65257 53400.49787 41130.00321 6708.50124 5932.225729 5268.464247 6112.885193 6960.268122 5874.150701 4883.000495 6273.836236 6849.32338 67204.3613 63163.45239 72023.28455 74637.5453 67022.19564 35325.05824 82319.24576 91907.864 46024.96218 6364.951406 8591.818327 9434.798949 8980.112303 13788.6053 9431.504795 8573.173592 6365.722713 6231.281278 85783.26747 59819.93012 65841.88924 42494.61638 82036.4778 73387.38788 33510.56924 80008.16571 101540.8281 26645.90895 33783.90505 43137.33366 60883.76827 45763.10299 11047.60555 37624.98629 6451.626714 42309.72297 Methylcarbamyl PAF C-8 8969.874871 48218.79984 3677.55839 11877.77148 2821.983398 5391.268477 13944.64134 21519.87224 31217.37203 18450.91496 38737.20453 40428.05925 22440.85557 33915.54607 5621.958022 784.5050641 1191.907676 1371.436083 4.07813e-08 212.4301165 3858.935293 305.9003718 4.07813e-08 485.1953675 1064.430797 476.3974769 1259.046586 16942.52339 2141.120159 161.0694628 2233.153617 299.0977364 18914.16659 697.0861352 1073.125501 2745.436523 697.6965833 2751.391695 4303.131351 1083.679942 238.7284587 198.6018776 4.07813e-08 826.3739881 174.3000196 4.07813e-08 9780.619532 6510.988733 22979.49156 71325.65031 7978.27695 7571.267495 42550.83668 9752.847391 3-(3,4,5-Trimethoxyphenyl)propanoic acid 1585.469135 1237.56776 2155.021156 1469.93413 3868.135192 3490.556814 3441.200839 1573.759105 458.1293542 4.07813e-08 155.778387 175.6370693 83.3223359 4.07813e-08 69.96803621 4.07813e-08 4.07813e-08 178.7871046 2344.809755 3986.174815 1832.937489 1876.102442 4438.015954 5859.828971 3367.55055 2919.134544 4512.231647 69.89873139 144.3116758 73.2868821 144.6454595 4.07813e-08 93.53598881 78.82230071 4.07813e-08 120.7391733 1698.575355 2915.316924 1188.393279 2718.024963 2442.079882 3084.094961 5060.848751 3465.462228 3317.745145 4661.192911 3354.538486 1611.048004 1332.683431 851.3688433 197.8266809 1993.782218 192.7796728 2997.411947 Sannamycin A 206269.8274 200255.1731 191954.1493 167983.3984 196495.5115 157084.6826 165575.466 164980.4755 156127.7425 113629.3556 107770.2899 105894.8486 145125.9533 123659.3132 107063.7811 156136.4557 106235.587 129141.4304 133504.1053 145803.4074 169777.4004 142519.1885 113563.9346 120449.3221 112561.5945 151929.3249 151659.373 99629.89535 139137.5413 145000.5627 143012.8683 137282.3923 106535.9377 96372.64155 192087.5485 159653.7483 141144.035 124130.6482 117726.5318 106482.0511 117289.0982 111278.0713 126641.3324 157264.476 141156.6858 176924.4553 156238.8814 118877.6636 122525.2672 123658.6912 109389.9489 113378.5043 163842.9795 194629.4503 4-Hydroxyphenylacetylglutamine 1.512853697 143.7613827 4.07813e-08 11.64458379 6.529099829 11.95715097 117.8507121 4.07813e-08 11.37965965 2442.582692 2347.839021 2704.459438 2412.36214 2477.495369 1595.066142 1397.845953 1389.149739 3989.418968 4.07813e-08 140.8843333 4.07813e-08 4.07813e-08 4.07813e-08 123.4346661 4.07813e-08 4.07813e-08 4.07813e-08 534.0926453 1466.353825 3405.821698 1512.155078 2267.252187 2594.145634 1996.237834 670.6046596 2064.331344 3.163237189 4.07813e-08 1.77718214 4.07813e-08 83.41223772 2.199430852 4.07813e-08 4.07813e-08 4.07813e-08 122.9096535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1842.212454 4.07813e-08 1808.087917 4.153027192 N-Hydroxy-L-phenylalanine 1482.683986 910.7576741 1681.812221 1292.701565 1926.365221 1091.631001 1054.958897 770.4246045 726.2735846 116.5986519 486.6138128 166.7760209 281.9647447 47.86011937 298.2094708 233.0492875 90.53590598 46.17367368 1660.751121 2578.774147 787.0606855 1668.94564 1943.801965 2373.531457 2483.19612 2441.425376 2801.750183 403.2763548 69.29413475 243.0765122 105.6430115 306.9602473 326.9873589 129.4972379 163.4069961 273.8536797 1277.364655 1312.219328 1273.537239 1607.448326 1353.770938 1912.300822 2736.601875 2038.968702 2003.441568 2532.552222 1336.405821 1468.769874 781.815196 550.5979261 39.91801215 1706.126185 152.1203633 1826.710044 Pelargonidin 3-galactoside-5-glucoside 4.07813e-08 2269.18115 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1505.219516 4.07813e-08 4.07813e-08 30127.00363 27095.65589 13859.97516 29278.26326 15197.99845 18872.51261 8331.554379 22905.09839 29238.17725 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16541.74136 20653.13635 16644.74627 18491.06226 21324.97568 20382.02136 26185.01118 16173.9795 14196.69403 286.161098 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28682.47081 4.07813e-08 21651.68547 846.8095032 Avenanthramide E 647.9068714 1645.761352 2679.667188 3192.67834 2929.046885 2430.35151 1803.440054 796.9527657 219.6095063 381.8260774 487.4463815 2074.946025 261.236532 1980.883269 500.6437341 1046.825308 111.549862 333.8961932 1996.03829 1732.750803 1340.777497 1737.524124 3866.572946 3020.233529 3739.981867 2420.827792 2959.487858 315.3093518 655.456589 994.8334617 604.1256649 1281.920005 1581.156859 696.4728154 690.4676199 716.4340703 1878.55964 1687.854583 1546.105952 2550.607701 1718.366351 2916.799221 1906.986824 1693.820398 3992.761514 2908.308702 2183.099693 1893.676909 792.2875906 1250.37831 701.8677533 2548.343789 925.7901133 1752.761915 1-(1-Methylethenyl)-4-(1-methylethyl)benzene 1715.081904 1033.618423 1550.171825 1704.832906 2365.736737 2130.324007 1510.386913 1277.487238 1067.270791 331.2226811 423.0491236 241.8780004 565.8937087 396.6053101 194.2971626 491.9013925 285.0795186 184.1395292 1052.21338 1526.956173 2281.458365 2468.817227 1371.150924 1645.249574 1601.119771 1420.860094 1166.819345 157.5300439 319.8621916 335.2179316 386.9324091 300.0652206 371.7592856 225.5538464 261.5605427 387.6617831 1589.660784 1606.790746 1606.325162 2295.337389 2619.168638 1686.202471 1696.006195 1546.658379 733.9044392 704.9515849 1018.938083 1697.243775 898.3103354 1142.814705 346.1958115 1287.284486 705.4939988 1418.582149 Balsalazide 3081.15793 3345.625761 1543.469537 1653.167097 1144.606539 2032.229962 3547.080667 2929.724125 3865.332924 24011.98299 13860.87495 9876.690679 24133.26791 9749.825275 6855.291841 4347.339764 29654.64175 17944.89537 1785.552401 1731.065259 1341.704424 3361.075602 1920.611054 1513.924472 1530.222016 1387.725095 2083.781756 2382.436264 20162.22308 10498.52336 15149.19488 21755.7436 19881.49575 31225.19098 9655.189981 15989.62332 4133.012467 3156.603679 2121.066329 1556.08294 1640.678638 3561.69979 2191.522377 3460.548701 791.6297549 2767.120494 1626.681899 2540.466286 6024.112778 3215.125387 41054.29424 6445.298733 17799.54748 2995.253744 SIN-1 Chloride 81583.05806 58809.36261 48219.72369 56610.80143 64258.41046 35019.55568 38583.09037 53228.26395 38523.69532 8026.31179 7441.621518 4960.738833 7884.474006 5590.755456 5845.175288 3960.97701 6585.722724 6229.814605 106316.3162 68517.37969 70777.58205 100420.5684 92939.58313 11853.41124 88311.00152 101614.8138 37660.45597 5978.254043 7346.778571 8116.314252 6243.253768 11016.82943 6770.986651 8071.100878 5165.394941 4830.997736 96243.05303 53283.55432 62784.59264 34968.71428 98279.27475 118125.9184 11600.36129 77666.96527 153348.8779 9374.670293 19185.05709 38559.34618 82337.71002 50192.21057 9762.215388 43182.14553 6093.061845 33302.68999 6-Hydroxyphenprocoumon 1048.04566 308.6000581 2070.654773 2677.907749 3056.739377 2571.641203 2209.860655 1525.617352 1954.410593 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2188.909983 2437.749634 6421.503102 2536.262138 3922.136393 4650.638081 2797.936466 2274.071387 2228.651213 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 633.7499892 1392.221015 2023.695256 4234.873729 3982.759051 3154.307757 4284.334532 3478.060281 2340.787493 8218.937651 1795.058603 2022.609271 811.9380748 344.6156445 4.07813e-08 1326.152599 4.07813e-08 1468.377048 3-Isopropyl-2-methoxy-5-methylpyrazine 18164.83719 10761.87176 12603.7789 9301.599839 12122.25253 15363.82473 14585.65741 24554.50167 14415.97389 178.8778915 179.9249941 190.6213504 102.4172489 4.07813e-08 178.6746389 649.7557353 463.1376142 226.0681086 35345.29023 23063.29501 25558.8277 36433.82536 45651.15617 36116.41281 27581.04216 38576.2334 34838.02894 703.8160437 351.6437694 383.5464192 429.3901986 479.0524906 209.9918766 499.4150865 568.239695 153.4643487 20106.54031 27439.33204 23310.07644 27740.84509 41098.23963 34050.73222 40003.91671 37396.60506 46448.99233 21283.37268 12996.7596 18729.4383 15141.61659 11783.9087 112.6604617 15592.24508 267.8968237 19067.42576 Isobutyryl-L-carnitine 7147.93875 9505.146826 8568.821871 6859.136486 6831.689759 6577.155276 8068.954961 8210.150704 8909.251726 3896.916806 5121.001486 4924.799904 4466.282747 3262.362288 7345.042123 4536.389148 3552.01222 4318.424407 6267.762847 5887.944124 6013.311712 8282.91821 5654.84543 6006.609497 6389.99742 8247.731236 3806.855106 3692.165679 3932.589536 6670.242677 3223.484445 5200.220038 6432.803412 4666.503306 5783.124474 5388.452612 8961.823758 5842.941995 6544.903112 4521.356598 6078.862571 6825.31069 4385.001334 6938.041645 6553.319225 5536.324225 5178.491302 7948.15667 6019.30648 6434.718551 5731.123961 7732.509471 4697.329946 7375.045241 Stovaine 3636.96069 1078.273107 2417.153276 2226.866195 3263.843089 2981.358598 4507.401435 4300.663798 2968.440231 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6399.1763 11775.4125 1592.203921 5085.259038 12794.58416 15491.87184 10363.45156 8584.725749 12307.2882 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5036.099459 5845.228651 2272.147777 4351.098331 6946.542307 8871.376112 14688.02004 7092.021248 9351.278302 9229.220258 6062.76787 4483.52058 2819.739471 1067.212967 4.07813e-08 3271.024843 4.07813e-08 8904.567989 N-[(Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide 2.401352661 4.07813e-08 844.3511024 151.6748912 954.5436702 933.8958124 1218.395376 669.7597119 623.7722006 4.07813e-08 4.07813e-08 75.47876778 4.07813e-08 0.530973658 4.07813e-08 0.084356874 4.07813e-08 212.6086648 3039.359637 3175.8903 2000.494194 2940.345215 3769.257821 2950.6647 2829.525424 3640.388689 4304.130796 387.8754097 431.3626366 1.17132218 176.080341 99.64953024 317.0486309 106.3748679 4.07813e-08 154.8791603 1401.059525 2763.51023 1611.568638 2699.985254 3018.056262 2469.759559 3461.946686 3413.363607 2774.995465 2209.108449 1286.216525 1992.232276 1172.924708 297.3738513 245.1322599 2193.618636 4.07813e-08 2190.369202 6-Hydroxymellein 4.07813e-08 4.07813e-08 4.07813e-08 74.15519426 386.2207146 173.8610262 414.8011376 98.11560526 4.07813e-08 1877.131315 1744.976302 1500.328659 1735.386712 1624.121044 1735.63803 1320.731576 1105.602653 2202.095177 4.07813e-08 4.07813e-08 4.07813e-08 124.930057 4.07813e-08 4.07813e-08 185.7372049 87.03333871 65.6475366 1506.670905 1647.886081 2365.51312 1587.02444 2835.494352 2517.539418 1510.075941 1139.182655 2049.879481 258.3065336 4.07813e-08 57.97699832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 58.95291957 4.07813e-08 113.0987379 194.3388389 2206.156129 55.17782547 2308.476641 4.07813e-08 3-Dimethylallyl-4-hydroxybenzaldehyde 1930.256867 1433.480771 2137.203305 2216.584021 3096.536433 1413.719661 3309.780897 3145.760753 2396.903513 67.72926639 4.07813e-08 174.6489231 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2640.059226 6366.77702 1177.097806 2231.338777 5749.779081 9870.404631 5777.874925 4353.798298 5583.333889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.13588271 131.7129958 83.00125197 4.07813e-08 4.07813e-08 2720.779936 3540.946922 1411.215184 2380.867084 3290.834257 4664.816014 9843.854397 3608.143112 5132.284232 5663.984983 3722.685723 2193.016273 1655.786376 912.44551 4.07813e-08 2431.406072 4.07813e-08 6681.533799 8-(1,2-dihydroxypropan-2-yl)-9-hydroxy-2H,8H,9H-furo[2,3-h]chromen-2-one 171.3709501 836.8514121 212.6682693 598.0757769 547.1548283 109.4814412 280.0585797 291.2681542 123.392117 4018.306853 3120.498637 3455.362902 4018.501815 2694.566922 2456.096671 2023.903759 1988.501334 3953.7821 251.7728632 151.5346975 117.5772877 141.5271667 573.8290839 476.0553187 120.173261 4.07813e-08 1661.694152 4493.662847 3826.726199 2367.522641 3140.766118 5352.636229 3243.344445 5584.791795 2648.957484 3087.549947 2090.140821 4.07813e-08 141.0260219 809.8739037 648.0458647 308.7780022 1140.14646 349.2820188 4.07813e-08 169.5122147 499.3886558 100.0126995 681.6039116 702.9534452 3905.52904 300.5804811 4572.168625 451.1398108 CGP71422 3677.38617 14807.80224 321.0672488 3305.321609 503.6412415 633.315627 3327.733008 2386.525538 1539.771521 48498.89499 39190.3491 19359.59286 48479.27305 11787.8221 36768.7926 12390.77341 12663.95642 12492.80717 254.6722613 51.45624856 4.07813e-08 4.07813e-08 334.8937152 361.1874651 0.396017317 823.072726 4.07813e-08 44749.62714 39775.6655 15655.90609 32733.83725 25668.97121 25016.23411 47556.70891 18439.49054 14642.426 3782.431086 204.2711215 18.49452394 697.8433836 285.1701743 4.07813e-08 73.65885905 1143.507736 389.327793 600.475991 49.29185615 337.3210253 4004.479667 14942.58412 42845.6809 1851.074048 37479.4873 1282.688545 Acetyl tributyl citrate 4463.704582 7973.083269 3529.067011 5132.522765 5121.993338 4759.492478 6681.751843 12251.621 21099.85443 13304.92152 24280.69624 14960.0748 10492.37091 8350.486608 43564.20997 35961.9326 16228.63648 10741.81873 4192.170737 3185.761017 4975.313851 4360.487925 3964.125237 3871.957656 2461.436216 4502.639115 4209.134111 8772.176161 18362.66829 7882.840303 22628.95653 4405.705559 15085.59424 22843.46874 22458.55653 14062.09655 4394.570657 2691.171641 3807.490066 3960.111614 4628.720535 4598.3178 3013.340888 3088.905138 7294.971763 3752.493387 3840.78243 4928.688371 4919.857274 7536.497069 10248.78444 6790.705379 10453.4889 3428.25725 4,6-Dihydroxyquinoline 31.61586204 253.5307533 32.55138833 4.07813e-08 4.07813e-08 4.07813e-08 53.835332 4.07813e-08 4.07813e-08 1142.611347 1313.948153 978.7433665 1180.454685 811.942273 1389.854724 611.3226641 426.6267793 474.1959209 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 89.75693335 4.07813e-08 624.6682975 988.8097483 978.5421165 884.7694588 1295.109944 1180.317921 1247.924893 626.179351 578.8870576 473.1807152 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 58.06536628 4.07813e-08 4.07813e-08 37.37153034 4.07813e-08 4.07813e-08 47.35225186 960.2896191 4.07813e-08 1054.046801 4.07813e-08 Pirimiphos-ethyl 4.07813e-08 4.07813e-08 427.8661478 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4660.863944 5713.468723 9132.859266 4725.881636 7782.595629 6735.193969 5709.735343 4038.198683 6555.450096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 149.6688819 4.07813e-08 4.07813e-08 148.7074182 4.07813e-08 8783.903674 7037.11913 12706.44067 7059.270977 6465.270045 10820.63602 11146.69278 10340.43432 11980.62661 920.8188926 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 201.9484094 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 179.278934 9455.80145 159.3749448 4920.490681 4.07813e-08 PC(6:0/6:0)[S] 6639.51362 14043.93301 4727.025281 6926.855619 6799.503517 8111.854351 10847.62932 21771.02444 21219.60999 649.2377106 195.4067243 1251.573537 3.012853796 295.1316894 604.2204412 1022.974422 2363.868853 389.1090287 2090.2927 1655.290303 4439.792412 1062.142653 1235.939934 2719.614198 1992.66175 1464.44106 3988.813994 589.3211849 365.2118996 29.29825563 1052.129674 256.0987209 605.4699908 307.9909024 2394.024543 966.7448622 3721.370611 4219.644975 3321.490416 4184.668025 1757.663823 1129.796751 4511.832311 2776.438044 2975.511296 4291.581995 5211.594837 4442.993618 6439.280324 10384.23179 236.9361267 5571.158998 1872.093155 3191.118649 Inundatine 7457.521603 4697.074949 7144.741222 6126.435141 9238.687783 7577.841608 6652.339888 5257.166828 4339.204187 648.4789221 979.1874269 905.6285806 453.5378375 896.9305299 1486.678568 4.07813e-08 202.2959857 469.0634434 14189.39202 15582.73573 12392.34344 15386.06642 18474.18226 14863.94489 13752.40118 14191.18302 15424.33488 1089.922204 821.2111629 336.0236197 848.1299863 1167.258574 1586.979501 1150.206222 272.3468264 764.6774083 9286.990923 11388.33436 7440.071727 12571.82027 15441.53087 16215.52134 15572.09912 15954.74527 20595.42035 11542.79142 8665.597337 10418.0837 6775.359048 5154.379029 1552.772591 8806.613327 746.5454947 10271.32441 (10S)-Juvenile hormone III acid diol 1414.156278 964.1536561 1637.820049 1614.229667 2004.273938 1800.860037 2168.963893 1174.885508 971.290039 4.07813e-08 4.07813e-08 257.0010825 4.07813e-08 159.9686519 420.6021532 176.6378269 180.3072875 84.5196739 2020.976741 3058.971743 1108.903237 2151.674843 2840.917217 2631.881863 2625.79339 2657.952293 2724.062942 70.48672279 79.94314845 4.07813e-08 87.89219186 4.07813e-08 65.35296837 204.0745286 85.46439522 253.1332748 1328.167887 2243.467289 1141.077727 1958.716024 2884.169986 3112.275235 3055.946134 2551.482081 3285.945334 2293.803478 1422.914033 1741.947337 1393.07739 629.2863516 298.4070474 1660.8704 132.1846096 2335.211121 Phenyl beta-D-glucopyranoside 762.9129737 955.8095939 465.6876499 648.3668979 509.4066464 575.5588383 636.7569929 110.0687434 167.1938662 684.4251135 11125.55928 616.5359136 371.847488 4032.839857 148.4135102 8049.71941 670.4731555 2328.851218 1655.926676 1232.063713 851.1429158 1810.711792 605.7700672 1273.355914 540.2049579 1148.028906 887.4794972 4.07813e-08 1359.327015 2765.238709 234.9044117 975.2609362 73.31569398 4.07813e-08 86.43383851 532.8138621 1521.803786 571.7920922 543.8492848 639.6884805 1282.703159 1149.863114 827.9419422 1203.304515 1916.894991 378.7534654 950.6688436 569.7289436 630.0240892 726.0408425 545.6177448 794.2612337 1774.004211 816.449011 Oxprenolol 8044.840943 6924.423728 8202.972792 6528.33985 8483.164485 6602.341708 3710.936767 3153.876315 3228.862925 4183.074568 5482.122063 2553.971684 3887.942013 2503.167648 4269.62408 2502.36506 2097.875623 2031.503315 8500.394671 4315.873069 8565.018138 8997.951304 4687.509327 1466.258902 4805.227533 10253.49919 4505.952657 2791.743869 3316.359229 3847.962837 2347.956029 3620.045385 3343.589217 2908.843703 3159.062267 1880.963128 8979.014106 7369.554643 9342.831925 9248.547749 8422.354267 5663.562633 2310.069976 10713.15141 10589.14147 2612.334044 2060.446442 4938.478339 4960.238512 5302.934653 2546.134841 3645.430974 3002.060997 2617.018236 Lophocerine 368.1460264 203.6311486 190.4759565 374.8929589 244.4444567 216.7111879 1072.468554 1257.982472 526.2894127 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1194.793581 2307.017163 184.9495552 766.1006583 2499.411606 2872.5083 1999.480055 892.8740432 2420.889116 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 979.2789919 1214.458075 192.7885324 642.7609493 1547.599183 1676.333454 3326.076668 1111.064754 1965.728562 1941.981717 1233.415978 606.5171049 143.8792447 4.07813e-08 4.07813e-08 654.4469012 4.07813e-08 1828.625747 Neomacrostemonoside D 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.849126262 4.07813e-08 4.07813e-08 2807.53932 32955.75133 171528.5361 55536.84986 15932.40823 126381.9189 28850.98859 89585.22671 28998.25075 148874.5218 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5586.383747 53913.26243 112176.9827 16341.19887 100053.6109 27793.25986 4189.689302 14332.64604 47856.12519 4.07813e-08 4.07813e-08 1488.154682 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 174.4614331 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34780.52957 4.07813e-08 106636.4948 4.07813e-08 LysoPC(16:1(9Z)) 20124.913 23514.8183 32815.43514 34504.8055 33370.24974 23069.06269 27589.61107 20423.13096 19281.67339 13355.11442 11797.48871 15541.91486 15812.06528 13837.9818 14293.7488 16669.69884 15398.17851 10259.63719 27724.53082 29789.1642 20959.33199 20846.75533 27677.80925 21919.64383 26299.72266 21886.33531 22531.00452 7409.240878 15036.17571 17708.19677 10538.82451 17728.24064 11506.63238 11518.96586 15877.62537 11188.04793 17048.47019 25143.57322 21750.47485 21312.41894 25147.18686 28901.4326 21605.31023 17959.06703 29740.27071 26960.7137 19237.16417 25003.21849 17926.38179 19033.73077 9824.237317 26221.71053 11614.45043 24540.24094 10-Oxogeranial 1849.032129 1693.528556 1689.954792 1992.41686 1660.433835 1633.32676 1854.921127 1540.646098 1762.884956 946.1101595 1117.53346 846.6257241 860.3765873 974.685966 1001.840308 1015.405644 848.991769 757.4262378 1052.497004 1112.758976 847.1731512 1396.69595 1097.973072 1172.828566 1389.945805 1454.179169 1241.942215 974.6597838 873.9641807 1051.905377 911.6083719 792.0889225 963.5669338 782.520367 2248.186041 1214.855514 1301.361889 1340.302188 1397.966327 918.0691374 1390.966728 1175.008263 922.8125426 1348.914104 911.4245022 1687.94606 953.4670463 1057.577972 1400.039254 865.9857453 708.7563174 1288.058574 1208.635693 1592.432062 Chaparrin 4265.059063 3830.654632 4627.662105 3931.681268 5998.283485 4306.228432 5726.509458 4280.57513 3440.538124 3070.542914 2967.990815 4240.378684 3473.603888 895.8474696 1269.258372 741.3837237 1756.552996 1029.593498 12968.71602 14543.86781 13007.93115 11724.28248 15945.42077 13215.02141 16694.39673 13369.53105 14226.19637 2703.756782 3457.995748 6512.053584 1198.695045 2736.03825 3392.262149 3423.194583 2846.413239 1394.721517 13500.57917 11464.84469 10263.90041 13193.24891 14558.6933 14290.50039 11483.31855 13466.98319 17764.56743 9980.90637 7449.953766 8741.202664 7302.161699 8984.970731 4126.103602 7273.847167 3714.802847 6612.811861 Leucopelargonidin 645.6300061 645.7823022 1894.268324 1409.099824 1311.861192 928.5223137 790.6732289 1008.036208 455.5374333 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2092.682802 1487.281677 2845.583378 1302.584906 7098.624018 4113.714529 2574.612344 1519.151081 3915.522266 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 755.6270285 3061.731098 2853.815571 7693.299606 1689.512782 5231.830363 4812.793444 1845.498918 2429.283125 2559.726303 1580.703259 1268.327593 1364.159167 1509.631413 4.07813e-08 906.1927134 4.07813e-08 3178.097122 Candoxatrilat 2412.713516 4304.141203 4962.283626 10092.65361 15834.49878 6976.573288 5456.040868 738.1497568 1123.083149 193.6951793 763.449686 606.1831504 343.8154491 1261.556502 1737.203526 575.3462363 601.7722921 115.7692758 5692.954526 4525.014943 4474.779298 3617.128655 4774.021788 5181.713185 3911.031213 5464.673567 3116.218461 1107.853555 1076.768859 1476.718418 1115.516824 2401.035711 1742.940423 1635.745721 1161.319033 914.4063825 4648.991453 3625.656353 3501.735007 4265.767287 4450.226599 6207.827161 2399.712471 4365.621752 6687.484343 2671.911482 2684.887155 3379.010242 3095.818606 3193.762283 1791.074505 4650.814936 876.389786 1525.766962 PC(P-15:0/0:0) 3891.013025 1911.404447 3217.206774 2664.178124 1688.45715 1911.270012 883.7041872 3871.538137 3300.435005 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1944.415093 1978.832263 1348.041234 2656.366869 476.4879955 4.07813e-08 621.9254085 1674.651674 768.50676 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2993.760579 2150.317898 2526.88408 400.811615 1520.941389 1164.455078 4.07813e-08 1030.983929 2306.804134 1124.042567 653.4715352 1676.714709 1998.405943 1530.602677 4.07813e-08 1871.479908 4.07813e-08 4.07813e-08 Benzaldehyde glyceryl acetal 1456.075668 1141.076749 1092.645902 1222.12061 1714.599058 1351.590229 1063.950629 893.8423 734.900303 780.5017427 859.6755098 661.1629662 584.92394 799.8889616 347.294997 811.2863437 169.4459863 924.4698873 1328.725399 1555.06484 1604.697185 954.0072185 1325.179697 1835.603966 1333.042642 2282.620131 1354.227863 445.2143754 486.9522462 495.4021376 435.2876117 652.9261627 747.8947795 294.9101551 431.9776107 382.1918023 1152.293068 1156.942468 1516.776915 1426.794312 1343.355227 1018.815563 1399.137075 1620.15697 1564.596152 1787.108305 1054.667151 1014.193473 1139.354369 856.1813265 530.8360168 1273.78844 805.3469176 1601.237703 6-Hydroxyemedastine 3116.013919 2193.298799 2046.018224 3797.06769 5997.993149 4582.801648 3819.076598 1962.326999 1666.355585 300.6656927 578.3974755 209.5515722 273.4143311 283.6809972 575.0741018 4.07813e-08 49.32539048 316.4121417 5882.418131 5269.972149 3622.050287 5052.629126 6691.262446 6122.732729 6328.32889 3990.593618 5702.581202 1.585988555 442.9488447 294.7270157 308.0308679 991.1833931 301.3376931 349.6765556 4.07813e-08 1315.641407 3727.897551 3225.147429 3340.131669 3436.137836 5054.909829 5124.255761 4335.298319 4797.886506 6413.929414 5641.423058 3353.577779 4472.538325 2765.897996 3803.271625 991.1412954 4154.076317 557.75946 3305.099491 Gibberellin A12 22024.48751 15785.30332 15748.7395 17223.89165 21343.03426 18441.35904 19938.94222 17725.00815 16319.55843 6449.114158 5006.302832 4210.867622 6093.163616 3761.768765 4496.492824 1857.263074 4811.332713 5538.220319 47119.93514 44751.65923 35530.38797 38744.54817 46273.78899 41603.85944 37541.52227 45226.98317 43298.60073 6192.533513 5759.392049 5416.327454 3968.902382 9708.402835 5169.297638 7152.223848 3230.74361 4548.226942 26757.5727 35170.08355 32488.81054 39365.37828 44682.07951 41991.66582 42349.7647 42137.47304 50881.58786 32293.60762 24386.67921 31667.58195 25156.0133 21586.42057 10412.08399 28643.37684 7769.231499 29322.65906 12-HETE-Gly 38624.94716 33117.13848 35176.65291 37172.51508 37848.98084 25060.92025 23166.90894 50497.053 32638.57115 11849.07383 8870.04492 9637.978747 11071.31321 9425.803324 7631.866382 1642.941351 10686.99564 17539.65139 31133.47889 29892.60892 22286.95317 44256.63777 32418.5917 29632.89845 38839.44255 40682.66692 25272.85359 13727.4488 12328.43533 13775.24685 9208.610353 16129.35303 13905.37327 13050.13766 10024.69221 10045.74549 41478.4839 39227.24918 39018.60016 42537.22711 45511.67249 34670.05903 31855.51824 34832.64459 43658.39087 14103.14836 29144.67832 33671.42316 43444.47662 44056.1827 21799.98165 41941.95317 9078.544805 25304.9452 (2E,6Z)-2,6-Nonadien-1-Yl acetate 2626.6571 2362.891156 2361.222556 2410.809104 2896.729323 1952.139311 2260.802632 1819.688246 2485.567528 930.9581835 821.2112662 652.9849046 864.0862643 787.2944252 681.6173616 1072.474568 1026.184885 1040.359775 2443.673311 2015.781154 2169.871565 2017.839434 1492.790603 1512.300461 1489.245884 1859.784832 1270.610737 621.5762098 782.886576 861.6314704 981.0904719 916.8871824 969.3103146 885.3123704 1014.495814 871.8001729 2271.659106 1842.316493 2150.73339 1540.616348 1664.020825 2152.060604 1364.041724 1918.495779 1689.371299 1522.110114 1341.5966 1535.497859 1524.476052 2040.407797 897.9687209 1859.083368 1143.780294 1692.916075 Methyl caffeate 911.935797 1156.764879 957.1826726 1483.010848 1477.72139 978.1002306 1324.228971 1087.41204 903.0056931 3533.698041 3434.602343 2612.720868 3372.870479 2798.175475 2594.439784 2116.169585 3503.993991 3158.401549 85.46760501 161.7660072 245.1009863 275.8719283 191.7231373 92.33460967 148.3482853 251.2092412 398.5390556 3692.675021 3104.619587 3552.789699 2847.662303 3413.983916 3841.63137 3837.415747 3956.710581 2390.706378 323.9824499 426.7117917 186.2290603 110.2724101 242.47233 146.6406663 33.97455087 209.0637094 99.77053541 54.73011289 44.39943484 81.73102965 453.0421204 269.0388168 2837.989361 132.2441542 3428.750643 417.8733064 6,15-Diketo,13,14-dihydro-PGF1a 11275.65532 9833.87307 10719.58083 11490.98556 14236.46232 10054.7145 12595.45909 8697.167073 9680.686015 3146.072611 3392.141906 3758.764412 3679.185725 3543.657495 3605.697133 1940.952905 2006.049964 6349.421238 14781.42186 17450.34809 11908.9671 12670.91091 15297.34794 14604.1338 15562.75188 17647.75628 14748.81515 2263.037028 3566.465351 3269.108235 3138.013066 4090.114221 3154.547947 3814.606468 6856.080256 3312.843648 11928.49488 14168.71486 10639.00646 11696.12266 16085.8339 16534.21702 13843.87212 14268.32188 16531.03837 15670.38096 12061.85393 12916.36092 9480.645375 11218.11545 5697.676989 11977.29739 3233.739802 12758.2724 Dhelwangin 4459.114087 2588.264069 3680.772476 4322.800081 5178.545898 4097.324344 3539.087318 3830.088535 3568.1982 621.3508028 843.7212035 788.3624085 890.3712137 950.3858164 744.658508 1119.1229 757.6871961 1136.69831 4435.56948 5823.053158 3915.186666 4798.741167 4930.517652 5492.267672 3844.582717 6288.421844 6389.468585 592.0926635 991.407054 1147.014464 1067.166852 1023.502805 1014.071078 972.0877755 780.4466952 1272.638182 3301.388012 4925.346496 3523.16742 4317.247049 4886.355332 5203.819843 6601.932523 6588.730547 5517.146456 5765.593182 3259.291371 3830.166825 4310.859745 3907.470665 1133.459115 3633.242537 844.0359264 4323.219177 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone 231.7909767 3211.024773 4.07813e-08 2064.418012 752.8267448 492.0579854 2011.54882 2172.90714 2425.061557 12524.29192 4515.51823 17588.90319 12179.65744 24064.06569 13118.01358 9477.190031 3237.607224 22162.37423 157.9514367 168.5450653 453.9327417 466.9942888 27.06321761 4.07813e-08 4.07813e-08 193.6647972 4.07813e-08 1946.141523 8990.722996 9607.360783 9250.890491 6612.258063 10544.80413 10311.81832 5760.137251 21624.28781 4.07813e-08 4.07813e-08 163.3329625 123.7126473 4.07813e-08 220.3204514 4.07813e-08 4.07813e-08 486.2385148 4.07813e-08 1048.122696 191.2505408 1036.127682 1261.188502 9865.790348 1099.514081 5784.267044 2208.229994 Citpressine I 8651.98103 6285.943947 3134.002648 4431.675702 2620.849719 5430.042734 9842.317698 5833.866263 4165.564752 6844.868544 2950.685018 1459.834332 6277.738919 1262.052697 3212.018379 771.0188227 4470.644118 3301.77301 107.6548787 1179.043894 824.0573172 4956.485858 1213.126569 321.9129852 2009.344834 1378.076206 844.7200734 4677.843928 2133.677144 1884.902715 2373.122511 6182.943427 2169.478331 2933.7787 2475.331774 1813.844241 5319.58465 1901.698239 365.4567603 1108.137438 1914.333779 1326.678587 361.9140731 1869.028377 2957.635224 464.9297734 519.4337537 1337.723474 3151.687906 1739.327248 3326.068819 1938.98244 902.4269194 1239.163254 5,7-Megastigmadien-9-ol glucoside 10104.03392 7774.742361 6621.659987 18618.71808 13637.89121 12717.40594 12762.17603 5276.905878 7861.359241 14900.37834 26404.38882 20729.24183 15567.53843 46343.96638 13190.59805 27164.06849 38240.86809 18673.85271 12944.80994 17271.97836 10323.63879 16545.48212 14052.01341 14422.14778 11654.991 15800.70677 14619.54534 8555.657911 14455.13114 34637.1137 16414.23295 40490.23555 10131.47037 16988.11476 21890.2318 19784.0914 10724.7319 14858.71895 9398.236027 17771.57029 20811.37385 16499.48912 21074.83989 16730.95542 15075.44559 13162.1201 12445.83228 13590.1847 13798.74125 11063.76318 14376.28406 11892.42452 27841.72438 14134.55119 3-O-(beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl) ethyl 3-hydroxyoctanoate 4304.887858 9682.467806 4.07813e-08 932.8880965 340.821557 349.3535061 796.16289 712.9349525 6666.930088 18162.33942 11676.43556 38703.47043 19637.42713 70088.52786 49951.05845 39818.58923 101270.5117 22647.78808 444.7667951 559.506068 151.9079569 547.8742784 1272.942429 839.0254553 1691.000332 1343.336266 627.1230562 53201.87159 12959.52542 4931.716677 12775.75273 13842.83421 7655.473042 8018.916291 35355.49911 4991.215494 1653.812657 4.07813e-08 1068.912578 1027.376961 678.7945979 1510.700376 2778.434384 1416.81976 654.9810952 4.07813e-08 7279.853096 3214.079695 12691.12062 768.7724075 59668.08365 3654.427596 6178.525993 614.61313 Norsanguinarine 374.681675 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 104.6300854 1902.944155 1849.684634 1517.801721 142.6383888 4.07813e-08 4.07813e-08 74.13887153 4.07813e-08 1504.638687 4.07813e-08 4.07813e-08 6063.564785 4.07813e-08 120.2468366 355.3270706 463.1474064 4.07813e-08 4.07813e-08 4.07813e-08 350.1905569 4.07813e-08 4.07813e-08 425.5215119 4.07813e-08 696.4836319 83.31694629 4.07813e-08 962.071487 4.07813e-08 4.07813e-08 1299.587948 4.07813e-08 150.1005804 4.07813e-08 120.7043527 135.5621013 4.07813e-08 4.07813e-08 293.0459663 4.07813e-08 4.07813e-08 4.07813e-08 274.2889428 371.9662124 943.9128411 403.1952144 462.5134387 402.6083174 Trimethoprim 1-N-oxide 1705.030984 1606.935437 2460.986394 1217.723059 6004.144889 340.8857829 1701.799618 409.4851365 1300.65183 4.07813e-08 4.07813e-08 66.26669882 4.07813e-08 290.7513661 4.07813e-08 4.07813e-08 4.07813e-08 693.5908473 3910.029902 2285.712975 2663.975312 2044.172505 2738.363649 2416.936033 2620.442922 2584.090853 2310.551917 4.07813e-08 71.7580507 357.7128784 73.93893271 562.5835091 69.92448334 4.07813e-08 4.07813e-08 628.3378934 2482.949391 1851.735241 3766.854712 893.1594643 1997.039972 4716.100365 2018.350062 2573.500673 6833.12851 647.5506805 1442.150227 1506.720996 2921.846039 1460.248107 827.8262458 2487.092943 124.2690188 1968.308121 Spermine 4937.437676 4840.239642 5968.786746 6089.56824 6126.803326 6161.049209 6388.02045 3314.434969 3835.517852 1323.062758 1341.513979 1372.140233 1454.934748 1362.2421 1029.011618 1540.630676 1094.126837 1210.506602 6645.694177 6283.613369 6661.793377 5089.39765 13312.35101 9025.724745 7403.910582 4976.332391 3870.408062 1371.22447 1233.552926 1250.234563 1125.15407 1198.621755 1753.399256 1416.621877 1427.277801 1591.146591 3619.890841 5788.241343 4764.700988 5933.442197 5838.327398 10105.11303 8494.216009 4297.862852 6268.357364 5659.512393 4193.633805 3891.868863 3560.661939 3214.790637 1075.526793 5523.636731 2210.684448 5485.997882 formyl 2E,4E,6Z-decatrienoate 21678.18591 18538.73519 21549.89897 19802.41945 21615.17404 27584.70872 39744.28324 18147.35669 29012.79195 11078.42874 11363.2298 9517.545042 10940.33552 10996.44787 10881.96293 14113.69864 10042.42668 11483.04224 14323.21624 15385.59278 13701.04785 16947.44099 12660.65745 13609.37253 17229.73148 17300.30659 15430.42086 8397.261439 10997.17889 12165.19719 11742.35175 10766.03379 11923.71832 10651.50809 12156.70402 13535.69954 19032.04397 16545.26904 17067.33092 12572.88533 15050.69159 16591.48327 15422.79082 16035.0382 15733.72491 14701.31423 14959.98385 16915.39372 24265.73336 16189.77325 11472.13039 15880.34537 15196.27101 25843.16545 Oseltamivir phosphate 4.07813e-08 1502.925161 194.245 4.07813e-08 366.2646491 188.5134253 1646.244112 1183.461542 456.8736594 2891.361509 1849.211367 3237.731155 4132.485784 4227.12266 2738.281591 1740.87901 3268.738335 4484.021061 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2135.976767 2723.212648 5056.081625 2811.095404 2748.983664 3146.595481 4383.297537 2701.259599 4233.350045 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 425.7349494 531.8083734 4490.882765 431.4714828 2413.746505 384.1420922 Bumetanide M1 4.07813e-08 0.663664194 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.744224048 2.621288682 12820.64385 6233.53529 15147.43924 10000.92098 23320.13273 16730.71615 19239.99127 10511.01242 9610.56959 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 345.1828441 7819.579932 12034.10537 9627.183324 6540.180081 6251.618226 9430.931735 8875.467743 27505.45859 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.195076727 4.07813e-08 1.911726129 8.766964224 3704.93167 1.128466113 1187.020203 463.0822708 4'-Hydroxy-4-biphenylacetic acid 2904.747918 1642.524969 1620.025094 1988.649903 1752.333765 1958.780741 2427.45235 1228.425959 1467.429492 672.844264 657.6005669 449.2475751 939.6026991 776.0924103 316.2503832 582.6585729 4.07813e-08 447.4170624 1330.818955 1588.444395 1666.03912 1889.161188 2817.837587 2435.413382 2080.937738 1361.280483 1996.468323 4.07813e-08 234.6781678 243.7800123 966.9261453 239.8207841 4.07813e-08 349.5805822 4.07813e-08 693.8371793 1505.552983 963.0120179 1666.861106 1294.059781 1678.477148 1832.558347 1804.253132 1529.37994 1445.715876 2021.109426 1592.847692 1973.283983 2181.886706 1726.553444 987.3209356 2599.457912 1180.497695 2736.119445 4-keto pentadecanoic acid 1709.196085 3240.164051 2495.055176 2049.206719 874.252907 2965.738223 5544.705116 4.07813e-08 1810.822907 4.07813e-08 4.07813e-08 4.07813e-08 47.58520649 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49.27501142 2968.384484 3951.391096 2400.044007 2844.877139 3278.342838 2540.815833 3856.018563 4.07813e-08 1035.27865 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.56712707 4.07813e-08 4.07813e-08 1580.840014 4320.849144 2925.350602 1963.204317 3149.20134 3366.959031 2437.375833 4.07813e-08 708.3789684 2293.668787 919.626177 3059.327297 887.572198 1102.975948 4.07813e-08 4509.714965 4.07813e-08 4.07813e-08 10-Nitrolinoleic acid 12410.01709 14078.4766 12660.37574 10560.31464 10286.30638 20842.27597 23647.25169 4493.083018 8925.284047 3134.153135 4122.727378 1476.264488 1842.052667 1898.867634 28463.9011 7736.149752 850.9993392 543.3710934 8645.551921 9280.493584 11150.61981 16588.08705 12507.66833 12477.81256 8430.930226 8020.822076 7012.162065 472.6274595 793.3578541 6732.057509 4833.942396 2359.257696 3407.960979 7624.593924 2904.854867 6629.104077 12993.39822 13341.88264 11778.27796 9422.812087 13815.52884 12124.94862 13656.24812 7866.457154 9025.382066 9608.275225 7518.122447 16387.55479 5751.882306 6421.044704 1983.42698 9501.724868 6056.289625 8671.168961 Nigakihemiacetal A 8756.794267 6809.011417 7780.018526 8477.349562 12352.49768 9916.627293 9389.241844 7980.238242 6792.508551 1519.234797 2299.466784 1598.573426 2481.250439 631.9507204 1314.908964 132.8587519 689.7873942 974.518869 17406.63825 14829.23661 14257.89559 14101.12457 16965.80373 14371.42589 11986.60367 14241.91134 14929.9958 416.9614454 570.1971682 1638.972323 585.9468196 1334.527674 1234.912497 1290.987653 4.07813e-08 737.9650822 9774.832738 11018.94671 9707.993438 12233.52458 14477.07447 16730.6141 13585.56743 15419.27741 20700.24079 11239.53367 9915.762105 10723.87057 7380.717748 7831.891787 4249.119739 9484.725043 2896.6759 11185.92155 Isoliquiritigenin 397.9449325 4.07813e-08 255.9669163 421.073961 484.109668 282.7834707 350.681938 450.3118297 70.79036517 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1949.495187 1523.902513 1189.28347 1047.560741 1810.350446 1530.186061 1320.314825 1206.67892 2367.022046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 948.5256422 1119.672594 1101.646376 1436.262036 1461.726235 1187.992547 1440.686289 1473.983113 2152.925852 1170.240719 665.4488406 981.235812 774.1401589 588.593697 4.07813e-08 964.2069338 4.07813e-08 818.25475 N-decanoyl-L-Homoserine lactone 2639.837245 1277.227301 6050.801386 2720.503471 2909.070067 6446.841404 5102.954016 4549.799546 4621.198048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1210.094813 4358.349924 374.4107293 520.9478921 1283.661787 5884.927771 2473.302418 1165.550097 5091.713937 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 374.7415419 5748.91527 1037.56891 2186.38062 786.9936107 978.9875203 6366.565634 1751.140972 882.5149965 4693.201883 4232.969812 2695.007508 605.76631 1268.399275 4.07813e-08 1798.48463 4.07813e-08 4279.988228 Geranyl phenylacetate 1075.096775 429.9794106 1240.231034 943.2368022 1427.81588 929.3253098 1083.068438 1002.337175 486.9220575 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 778.6135463 4.07813e-08 4.07813e-08 4.07813e-08 2267.595877 2643.688774 1270.82614 2270.802097 2703.628516 2600.809241 2340.118513 2586.313686 3230.392283 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 293.8055278 4.07813e-08 4.07813e-08 4.07813e-08 1797.959091 2368.772264 844.1447539 2482.867988 2580.023017 2122.805926 3422.667896 3021.121764 3203.740072 1781.77323 1411.078182 1423.327049 927.5212643 741.7598546 4.07813e-08 1703.327568 4.07813e-08 1467.094777 all-trans-4-oxoretinoic acid 2211.156945 1077.372761 1971.102889 1896.330191 1460.865928 20854.40724 2922.053715 1802.470375 4.07813e-08 9.102533555 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 114.8850193 204.068518 338.1812184 854.3082437 322.2274594 360.4352565 1621.990561 2015.858485 1368.547002 1383.435594 108.1248718 417.1277836 9.624076467 4.07813e-08 4.07813e-08 4.07813e-08 37.82368801 4.07813e-08 4.07813e-08 22.46330324 4.07813e-08 532.099376 2435.006578 802.3672087 1341.010149 578.0164933 1644.157498 1366.760524 109.962399 243.3609459 350.704763 221.540119 729.0535418 508.6405442 4.07813e-08 78.9836161 665.9312993 4.07813e-08 698.9493688 Pregn-4-ene-3,20-dione, 6b,17-dihydroxy-6-methyl-, 17-acetate 52031.9999 36554.82209 55673.44061 48131.12774 63371.22764 48154.48065 36356.41259 51841.29944 46697.94895 4247.642835 1982.019892 3417.951256 5475.140868 4978.055155 7062.451907 727.0638713 601.2491523 39715.51723 14202.71029 15402.17296 10142.1007 16839.92893 14303.07326 16076.1837 14891.07391 10617.6607 16975.14666 543.9148713 927.0779787 774.5066247 1113.586216 952.7167176 935.9346572 1699.173929 921.6354832 5506.360967 10775.40667 12153.22497 8703.704525 16796.75125 15865.63469 13021.10713 15872.39734 10542.65653 18750.08506 11959.60459 8593.404885 6325.442739 7718.590668 3660.086083 2243.729962 7001.003425 1605.485786 21400.27201 3-keto palmitic acid 5310.224379 8638.006007 4898.522933 6457.440085 2434.64783 4576.065546 12857.74244 1398.317501 6179.702013 1024.690356 377.1362605 585.7650937 609.0138315 324.9183904 317.443417 292.4522417 1154.988657 805.1438791 5864.552315 6071.471029 5548.734334 5840.511322 5416.926781 3204.962053 5596.422044 658.0682691 2162.484606 249.4139726 616.11453 705.2799985 572.7735441 638.3302174 265.4898339 643.5009575 922.7273828 509.0142612 3855.664046 8487.062468 5516.803531 2934.544611 6139.323783 5665.846792 3242.948937 781.6401005 2080.14068 2968.318143 2718.212741 7298.742278 2434.248444 2854.003842 904.5702444 5766.235826 615.5282696 648.589918 2-(3,4,5-trihydroxyphenyl)acetic acid 892.7093526 808.705914 949.0861915 524.5626573 635.6798315 500.1653054 458.1705095 519.2337097 726.7550175 335.2175297 436.2761435 331.612915 442.2409325 482.1983098 343.5971502 796.5219174 443.2029949 452.5593466 400.4539619 539.7783788 353.7395898 233.4268764 238.9954265 347.6677449 621.881266 527.7634801 492.6660577 564.5425159 440.594749 537.8527952 548.2226833 210.6878909 598.7821047 324.9897758 716.1404647 510.4079527 730.1230085 690.296407 510.6514841 220.2613533 386.7235387 263.1434566 533.2527825 587.0417732 608.7791859 175.6007995 285.6782742 485.8211611 448.9749052 778.7154136 296.9081246 306.3056872 663.2771909 648.2678324 beta-Damascenone 3179.528103 2274.780025 2938.452678 2281.975197 1640.192482 3334.649998 4295.273959 2526.041083 2953.228269 2557.621138 1825.561724 753.874272 1966.703459 707.1634487 5211.525453 1516.257093 1360.459424 1478.862732 1736.722888 1794.352598 1773.01096 1950.902241 1530.832184 1711.498906 1795.572534 1251.923006 1792.439082 711.5154708 1466.602397 1279.499716 3647.350884 1869.553048 1241.290927 3273.692013 829.1939354 1786.827301 2564.369807 1506.764515 2037.917604 1614.639543 1768.000286 1900.497439 2180.20807 1762.992026 1930.333436 1554.549888 1768.496872 2040.341673 2991.316947 2023.154922 2259.746527 2152.925464 2516.750736 3379.653321 Undecylprodigiosin 119224.433 108442.0147 81428.60394 82805.17358 105098.0376 73341.40033 75391.9745 56273.27253 67875.47596 150494.572 108537.2058 95119.64418 139320.0911 111907.8555 187911.4534 85385.96228 70206.23632 64900.13434 104840.4378 106918.2192 80343.16689 86783.83888 82097.45628 76652.56947 98780.67765 94089.27811 116458.2351 103433.2216 99831.88591 157004.8095 105176.177 132503.2295 138859.6673 111486.6233 113673.4675 143856.5277 80112.18228 75336.34736 71252.00828 91399.07583 97446.48538 91717.3649 72226.97845 90785.7936 103801.6065 83146.19704 60963.9564 70325.21347 77168.37149 76544.96473 134367.1294 95783.43381 98387.10747 87059.07205 Glycerol trihexanoate 4.07813e-08 144.5386967 126.5395443 174.808876 647.5303412 130.8012419 4.07813e-08 446.526224 4.07813e-08 7847.598217 10197.87333 10877.09494 8552.043428 17984.07045 10265.2428 6636.588078 9188.307337 5193.243235 4.07813e-08 420.5854205 134.1453886 439.7193343 1028.535596 231.3396952 151.2408397 291.1953409 4.07813e-08 7489.930973 7815.920492 13076.89966 8602.608759 19545.67303 6502.875765 16236.69285 27668.79079 10885.44151 133.0815019 132.0686483 102.6678722 908.6136971 4.07813e-08 473.6416432 4.07813e-08 124.4605387 356.0123879 234.9923623 116.929355 406.2763508 263.2767904 162.6978572 7536.795497 4.07813e-08 17366.62563 1644.399692 9-hydroxy-hexadecan-1,16-dioic acid 8314.813607 6549.538299 7477.49536 7320.465502 7701.915738 7094.09019 7108.424077 6698.031993 7702.050148 2772.698292 2325.934725 1760.935062 2814.719816 1795.717835 1276.369201 3324.658462 1145.966184 2238.286185 9017.335539 6471.690221 6029.207642 6741.340723 7152.103344 9338.396659 6752.850958 7002.789472 6601.206512 1342.749404 2600.320716 2305.589858 2340.444567 1697.769432 2024.269919 2143.740594 2419.159084 2584.611579 6461.337213 7242.162014 7664.28615 5425.995443 7140.392833 7364.179157 8606.194807 7544.436377 8179.465123 4752.437785 4271.013404 6865.158953 7302.146152 5917.422607 1790.957811 7355.546173 3097.502283 8468.834511 Descladinosyl-6-O-methylerythromycin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6.352190541 0.738725713 4.07813e-08 4.07813e-08 10686.9134 18914.60967 20329.2424 6477.297034 48564.43225 40285.07924 12303.38951 7206.944412 2150.608867 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3582.83003 4578.643337 2426.093835 3441.46982 3235.809277 6831.42382 216.0057793 4788.19606 2841.762159 4.07813e-08 4.07813e-08 4.07813e-08 60.44338866 4.07813e-08 4.07813e-08 0.885946947 4.07813e-08 4.07813e-08 15.23012808 4.07813e-08 194.7186554 0.563921914 4.07813e-08 28195.41483 4.07813e-08 12521.22491 715.8253361 Glyceryl lactooleate 4.07813e-08 2506.224494 10425.64153 34513.41735 26519.13747 5138.812179 2098.29742 4.07813e-08 4.07813e-08 349.7409281 4490.357359 22266.90013 365.2505605 25839.8105 2298.479468 28083.08021 17.30799963 4.07813e-08 356.2565307 353.2185077 150.0319144 3907.283135 2129.596139 4.07813e-08 310.222123 190.3190663 310.2666361 4.07813e-08 222.95055 8193.577813 4.07813e-08 1424.962975 3166.34948 96.71188303 11984.77331 5233.955346 802.5373568 1142.899832 391.5992425 2511.171524 3872.014385 1821.242918 169.4490062 4.07813e-08 628.0441933 572.0127888 152.1335336 1935.023813 206.0020316 4.07813e-08 155.3777136 319.3109916 297.2284791 199.3228858 2,4,8-Trihydroxy-1-tetralone 1901.114887 2755.89778 1362.941893 3392.485662 2230.046037 1795.745026 1627.689851 1826.232985 2430.054554 792.3452339 2102.962591 862.7968141 380.5795932 619.1253326 433.9131753 1305.647871 4.07813e-08 1779.342273 1008.586038 1399.581568 714.525059 917.306403 980.5205807 273.603711 995.9726817 416.3337059 930.1471381 4.07813e-08 367.9158349 1145.658058 616.919642 321.2485803 296.0896897 365.1171861 98.88777035 701.0460625 2239.794884 847.7994422 1255.21846 666.2479068 654.6949615 592.6168809 342.8989994 371.8401871 742.6373583 781.0109389 459.9164442 1024.254026 1268.193844 1319.410338 99.50819982 867.837018 788.6594413 1696.59752 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene 362.5765264 3105.004549 6772.587403 13285.77011 10874.54597 5870.013755 2851.948443 186.4983547 172.6602183 4.07813e-08 1381.800461 8329.029031 4.07813e-08 8533.3166 912.5477645 5761.230915 148.94547 69.33987393 10563.11452 10638.38518 14723.28333 13735.38455 8281.054412 8567.58503 12422.6726 10668.33595 11633.02949 3793.621796 6512.974758 6992.580958 7091.499562 8588.208276 8754.822968 10527.01457 5394.44656 5506.180339 15411.44668 10081.6774 8093.411112 15076.25803 12454.67281 9730.256493 7184.344308 11617.63301 17783.67985 11568.75664 8143.325884 7135.488806 8952.797178 11243.58978 6413.878958 9044.722362 6074.357542 6422.2338 Schidigeragenin B 4454.076262 2578.17852 8417.259369 3881.308211 5008.782308 5945.209408 5444.789076 5597.166229 5577.872896 1454.992979 868.268789 13976.39817 1816.229022 14405.65975 27991.62989 4412.137661 35726.67127 30535.9496 3536.547783 3381.919654 5407.668138 6541.978664 2578.142908 3153.478062 5896.289186 3107.420047 1885.55304 16175.44436 1522.164891 1063.620777 840.4420416 1125.079065 3541.143545 1449.296248 12824.51104 2427.722977 7409.4586 1719.577579 3933.92293 13020.50822 6493.308445 4200.123459 3053.632915 2618.529633 540.7470679 7163.434872 7330.872949 14390.88638 6714.947961 8414.492965 8758.744926 8222.077394 697.8838578 4803.234707 2-Tridecenal 5562.45257 1368.421555 5849.321945 710.9446988 1060.217181 14369.35189 20981.35191 2061.25592 18387.35472 380.9803488 373.2604917 272.3897997 438.7312161 229.615741 208.1608121 338.1634592 496.8282439 270.1203453 476.1686597 1112.288673 1281.809457 4159.569033 2891.117402 1883.166912 768.1433992 550.6100833 868.5079096 470.3066234 297.9336736 490.1235914 575.5364341 322.9835058 489.0136125 307.0356467 706.3568259 526.3536629 11289.22542 4912.421748 6164.356113 3288.80585 3078.635697 1422.460038 2654.041212 356.6329652 311.7431093 1073.676483 1535.936689 4859.877695 14704.44049 3988.358517 1186.413126 3349.028499 1787.583094 13012.07649 Arachidonoyl-EA(d8) 7191.990925 9015.854019 19512.5901 27378.38418 31060.84332 8048.756257 3618.575796 19627.74563 7908.557585 7949.907578 18496.94144 31233.59972 7335.315598 52799.16425 16440.58747 122049.2635 130139.8574 22679.91522 11661.37702 4389.408206 17548.8032 8224.470355 20937.74086 8608.156464 4847.293658 9095.246763 6534.029236 60359.99206 11534.15446 37235.55942 8456.980883 15610.34805 8020.293244 9102.990794 112721.596 20203.92384 5529.455069 9757.569954 12219.15432 19674.98299 8980.015564 10754.19644 7547.85562 8985.164736 8321.833096 2604.786935 7549.410796 10202.57682 7191.013328 5788.024746 2720.735795 11367.43478 8432.234107 7250.048908 Mesembrine 2983.518337 1666.99846 3927.870481 3574.994022 4651.784573 5917.219298 6349.983425 966.9252183 1217.50847 2132.660997 521.1099732 1591.795316 2380.073875 1800.159275 1372.325858 550.2585414 64.47122686 637.8834077 8972.659663 6598.430146 5504.334268 8280.112887 7564.458719 8860.511711 7450.609897 9076.316308 6216.078007 192.2428945 1775.316733 945.9194983 1632.778484 1540.093628 513.7617727 2413.779059 65.24127345 2594.12884 9285.604509 7851.292319 8568.508253 6043.397506 7196.772898 10402.24536 9788.913383 10459.38713 5570.272296 10548.602 8422.195644 10499.23381 8619.937921 6559.25013 5903.588274 8860.558546 1882.749955 10301.6022 beta-Cortolone 10904.29472 4209.990771 10440.71425 8572.577581 9088.671913 14867.32086 2644.536468 9872.671568 7614.657909 3.122808991 456.3833573 89.27949334 2.124881181 5.280133959 71.76868617 1.225692337 167.1375379 210.400681 15399.36594 12601.0022 22255.9658 12313.51383 22853.81305 16841.29465 5836.981669 8465.345457 13266.04664 95.61947296 6.32627493 80.31840877 5.797523022 4.07813e-08 0.962410535 123.7417605 2.623024165 3.646227456 10820.2341 12984.54651 18985.05757 15735.23096 13195.41317 15828.77285 17853.85781 6204.098578 15131.71226 10084.65175 12362.60626 6982.845701 5060.582102 6456.830561 118.1540093 3291.404351 199.0002586 5035.714982 Erinacine D 856.4946415 1304.238698 505.1668377 2027.379456 1156.224465 1528.703601 1017.413757 725.8393247 759.2879315 1882.092269 920.3480566 14480.73903 1201.488402 57687.64454 29104.24637 13055.81179 29258.88766 27471.05533 336.2162709 37.22883677 4.07813e-08 950.8506743 360.6850218 1427.005632 4.07813e-08 265.0491482 420.1100551 10418.444 952.2255565 312.5111696 3179.857406 1579.083489 1260.795918 871.3882296 10153.22989 572.7527766 1181.571239 188.7162528 4.07813e-08 1352.43341 1239.693846 514.5372325 869.4423517 47.01284058 555.0498619 188.8284974 1922.161947 691.8961448 4049.542601 4.07813e-08 7184.622838 435.6624146 732.5767615 204.8769562 Ginsenoyne A linoleate 4.07813e-08 222.7417551 475.5535204 365.2579045 2860.643978 4.07813e-08 4.07813e-08 4.07813e-08 1809.780643 57572.47765 5407.479937 110462.8302 53481.71663 356299.2599 146325.9034 52778.59824 76729.13617 385366.9719 4.07813e-08 175.5517664 4.07813e-08 493.6495098 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30382.51259 11087.67125 6877.611062 57256.46205 29619.52254 1584.117378 19825.31908 20221.8749 45148.30208 1140.559105 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 216.3321363 850.3158819 4.07813e-08 10875.55349 604.8392305 54733.78952 207.6154564 5163.312946 4300.0663 PG(O-16:0/0:0) 17410.34538 20234.62217 13714.61019 27161.54129 30063.60859 26488.56189 32829.3394 27494.82866 23770.58607 126.5523377 225.5142794 207.0937193 225.7621771 1054.885977 623.5098279 4.07813e-08 727.8277261 1299.428023 35968.35715 39817.10057 16116.438 38030.53659 25770.38709 43713.56211 41282.77264 8712.594042 7281.186407 132.4418145 39.04588855 101.7821394 4.07813e-08 260.2466494 4.07813e-08 32.51711203 3277.489679 176.2462514 25448.43088 28649.94767 11293.56858 30415.9878 40505.46747 22339.4058 38036.89369 7567.559072 19864.24996 72526.63892 57645.08427 5798.166071 12436.08461 15513.81578 22263.13691 7577.868895 14929.97935 15194.8546 Austroinulin 12881.69124 6823.06405 8083.748911 11451.39641 6461.650435 11158.08814 3720.211225 3975.680312 6036.131775 4.07813e-08 56.68356674 162.8450098 4.07813e-08 243.2803985 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22307.61771 16366.55411 6637.556232 9265.345574 9793.02597 4756.659903 7895.488201 10072.74477 6853.278517 4.07813e-08 73.67975584 4.07813e-08 4.07813e-08 76.46442226 146.772198 71.78300237 194.0321322 69.24112315 12653.55124 15973.35752 9277.077929 2632.583991 7084.767788 10584.65084 4363.583336 12246.69102 8886.85511 13549.16565 9763.737653 12601.37302 8106.528359 6596.815843 4.07813e-08 6270.410493 4.07813e-08 6986.15819 PGD2 26226.01961 20880.56686 22259.48158 16149.28767 13362.31293 32513.80647 28766.45174 18520.4714 22073.1611 4637.36012 4447.380847 1433.058988 5780.902622 1624.366298 3818.653444 213.4279636 4030.101624 3251.650649 69964.68004 59435.12502 44148.46644 49732.59501 47716.19124 42251.65888 33459.95315 24615.373 26914.94726 5241.428125 4365.420489 1752.94768 6213.203937 5599.059669 2755.424904 8028.858239 1502.716273 1139.009241 39956.66635 55049.40937 51783.81049 43088.0249 45225.92226 51811.06061 34576.77812 23940.13973 29822.90022 38394.64437 34554.82393 52024.59076 37640.06726 22778.92095 9411.202716 55359.92961 2737.281722 30266.64522 A-Nor-5alpha-cholestan-2-one 10562.70747 14611.33678 20369.66193 12328.82078 9077.985662 22781.12839 10663.58889 26197.33237 26932.04555 6209.439138 9190.504049 9922.530579 7182.208905 13737.469 15419.37159 7188.580251 17802.65263 6051.370402 46626.88011 25358.82358 31145.48853 17263.20526 18594.61097 8631.35001 10359.65359 7215.597805 5819.987516 3910.522398 4746.621069 7932.79201 3677.739895 6411.561916 2625.09689 3047.300639 9712.336385 2827.1885 17352.76586 17136.12808 34296.1886 23686.93181 16930.05067 16513.79755 9483.866684 5596.879296 10824.90516 64752.43249 42662.9574 22322.60821 24618.12168 10607.76475 6928.096932 27515.99438 4466.459658 11626.12783 12a-Hydroxy-3-oxocholadienic acid 65605.36874 49237.37116 88480.23845 52273.65751 44026.25422 59488.19319 42622.57056 58613.42718 41570.0458 7540.495184 1062.432238 21124.65395 9509.404792 27811.86398 28786.53863 2399.719042 2193.809954 50158.98959 18001.93655 25387.23549 18034.87566 26665.75479 21143.86874 19965.97455 22050.28261 13594.06584 15951.53603 826.2479926 4999.908133 2444.785223 3348.179377 2428.329088 743.918225 4735.200899 909.9393101 5894.766698 19959.85445 19114.94539 11971.72967 24088.36583 24339.64683 19623.04809 17557.54073 13440.85222 14865.0963 22247.01428 24670.74104 13547.28296 15172.14967 9015.562329 7044.754065 16753.51814 1924.7672010000001 35001.99421 delta5-8-NeuroF 6310.09621 2362.653099 5518.627775 1081.581424 1056.604358 10815.05921 3031.847774 4771.969039 8799.123072 525.1583953 835.7933647 613.7745673 603.155437 784.9515504 1026.358301 4.07813e-08 589.467696 384.0953876 20815.27419 11336.7482 15651.18612 11477.10553 7166.349786 6433.906667 4646.534353 2704.114243 4858.26305 943.2662427 3229.734702 140.4574381 264.936989 2123.868328 418.6775681 1505.01022 4.07813e-08 265.5216105 13570.99964 7197.842273 17036.69819 7904.678087 7928.946385 10486.5499 5141.022809 2841.164439 3667.615503 16325.71852 27388.0053 20114.14012 16994.03002 3527.308758 1673.377695 25075.73713 4.07813e-08 4471.209686 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate 10998.96762 9944.724968 9434.680914 9290.762194 11878.99543 10614.36261 6340.435327 13907.91324 11377.97473 2750.545567 1087.698115 2718.789741 2760.868814 6461.11521 5275.303734 14383.37508 26828.97339 14713.5866 23843.69505 12586.02879 19848.99482 16771.70859 20023.75539 8983.791914 9002.215798 41661.84872 10185.90628 26092.71505 3459.852261 11102.29856 9669.640347 4936.903004 6353.833633 994.4549746 17211.45765 6569.733075 8833.721912 8848.360872 11490.61732 18892.13043 18249.69706 18367.7071 11491.5682 28953.43317 34498.94876 4248.14165 8403.794723 9851.128504 11317.01874 5827.848343 4475.081878 10460.78031 7766.687626 6293.978987 3beta-Hydroxy-5alpha-pregnan-20-one acetate 28082.0152 23263.64141 22951.14813 7323.674465 4919.485012 29506.77174 7383.135235 36607.78263 33657.7557 4263.804761 1991.92099 32938.19958 2815.973886 27224.82247 26072.18615 8118.416734 135764.0993 29386.91818 12075.39096 10680.55455 25217.09846 17826.22643 3255.655132 2323.315927 2870.247523 2606.931654 3518.094129 31079.83805 44100.40325 4394.492348 16016.84708 17410.37159 3566.037643 17207.90203 47762.51427 7480.837955 32300.01387 4468.946656 23511.38595 11913.82903 5272.234024 5517.847685 2464.994905 2275.835748 293.9739969 31992.39207 67155.22081 26181.92796 36195.8684 19644.26584 20492.81981 31867.09536 2777.014547 14331.91937 Nebramycin factor 4 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 286.481872 4.07813e-08 204.9343687 302.5579317 4.07813e-08 4.07813e-08 8941.605579 424.1845756 17357.53818 20548.12258 7207.883087 12956.64321 5186.443311 195.716216 177.448596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15574.9815 8055.002596 2190.913768 26987.32752 16452.16383 7311.698608 11996.30383 25043.76915 3872.576994 1537.757532 4.07813e-08 371.3254535 173.2363138 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 765.1549009 2941.877489 290.7655907 5060.018555 4.07813e-08 6940.979551 1326.663132 4.07813e-08 4.07813e-08 5-Ethyl-4-methyl-2-pentyloxazole 8884.792182 9945.087541 9436.705347 9628.600864 8971.580285 7533.925744 8453.150934 8529.059304 9134.856229 6186.275742 6135.864254 5758.747597 5766.443759 5890.30332 4747.095606 7267.988723 6019.55869 6710.01686 5801.429429 6213.97186 5722.564154 6013.777736 5853.620696 5395.769961 6940.090074 7879.385268 6584.638077 5920.561714 6522.756985 7003.06375 7493.733327 5777.756526 6271.632488 5831.564374 6881.985787 7231.427843 7603.31907 6129.797279 6411.188054 6136.532098 5735.635376 6351.603118 6515.270945 8702.60449 6816.933176 7257.665499 6926.695367 6750.523437 6997.631237 7011.648851 5412.085374 7554.945558 7029.706978 8523.942481 N-pentadecanoyl-L-Homoserine lactone 4976.495587 2588.324295 2636.524857 2222.815111 8405.665998 6244.789711 3423.669355 4147.56112 3114.265544 6101.46345 3162.843831 4071.507479 3802.426776 2123.199228 1560.82849 2166.737286 4046.600243 2273.04136 5371.809295 1504.503421 3804.341519 28419.1858 1754.070681 2056.671846 1870.710814 4981.415554 3352.995931 2473.103392 1936.329063 3484.531604 5208.269163 2029.079414 1334.742582 2682.588828 25123.72383 2510.037232 2368.732647 1889.747995 3392.876317 2718.252283 3902.079154 2468.184765 2143.252765 3454.52928 1386.655252 4758.956057 2669.306883 2780.508249 1464.792941 1610.973406 3420.428333 1179.506154 4019.722217 1643.503651 Dehydrojuvabione 8574.928784 3503.26524 5378.014023 4459.760947 4895.18009 8518.705367 10121.57173 6817.265462 5258.123879 133.9074395 4.07813e-08 4.07813e-08 47.47295419 68.43512029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5065.461087 6876.006999 610.7307043 4135.877579 7323.298899 7473.981001 4264.184018 3298.559089 5929.57778 4.07813e-08 56.1616498 76.70240158 69.46195474 4.07813e-08 4.07813e-08 112.9101325 79.62124852 4.07813e-08 4861.326863 5942.888809 2690.769646 3898.324057 5680.078373 5197.999801 7101.89258 3755.722052 4092.968836 6044.014784 6130.109169 4310.910221 2862.777075 533.016498 4.07813e-08 4068.471552 87.95943622 7631.513499 Avocadyne 1-acetate 4.07813e-08 124.0892936 4.07813e-08 4.07813e-08 4.07813e-08 130.3939971 516.3948749 2.11237468 28.30038639 398.0852308 1323.796306 917.46421 623.3646737 3330.470832 3692.92852 841.7325677 3188.44112 1033.802745 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 71.0740511 4.07813e-08 4.07813e-08 4.07813e-08 1180.669183 1383.50559 888.5086094 1744.77976 4743.151107 528.3171034 1605.297228 1286.74683 314.8080724 121.6857515 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 107.1844722 4.07813e-08 12.81862485 4.07813e-08 196.4323377 3187.275015 4.07813e-08 304.7061335 4.07813e-08 Hebevinoside IV 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24916.22018 21432.46584 15371.82567 18381.61292 19855.93487 13940.19146 7829.66808 21698.67845 27791.07942 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9441.508957 13371.73354 19363.08804 13965.49902 19613.16932 11104.20774 8921.879039 10998.25708 14217.82034 4.07813e-08 4.07813e-08 4.07813e-08 147.6152981 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12019.05013 4.07813e-08 27569.62681 4.07813e-08 Polyporusterone B 13299.04328 10157.21493 9088.717115 6157.621252 10011.73466 8727.301256 11247.91731 13282.69023 7446.740375 4.07813e-08 3685.90596 447.8461504 4.07813e-08 367.162567 1611.966066 719.9418661 5399.200075 9833.646841 1729.708233 1435.88562 4.07813e-08 1412.592341 1018.860829 1134.454084 846.9634685 901.3759547 772.1517059 1779.761662 4.07813e-08 4.07813e-08 4.07813e-08 151.7783287 4.07813e-08 4.07813e-08 2264.996095 4.07813e-08 700.0922757 294.4838582 146.3049076 743.6511689 221.2336512 660.4600954 165.9331128 4.07813e-08 436.00678 202.1445935 163.6615134 495.4303386 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2056.2434 Cinnamaldehyde 54.1183192 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 124.3433553 4.07813e-08 128.0183237 4.07813e-08 550.037566 54.55933139 3839.410137 1110.125398 2948.833792 4821.942342 1072.433647 7728.831864 3799.111689 4.07813e-08 22.48013996 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 239.2351817 1370.737891 171.0203619 1830.559347 877.159877 113.6199133 520.409063 2296.370534 350.1780336 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.6902263 4.07813e-08 4.07813e-08 4.07813e-08 503.5857515 67.73324708 4.07813e-08 140.3190549 1055.927483 175.0028173 271.2258542 166.958487 Prostaglandin D2-d9 2960.237029 2803.743441 11936.40487 3290.144722 25433.62009 4693.400172 1011.064672 1139.081624 4.07813e-08 1629.162303 789.084714 486.9097496 1071.247146 850.7472946 3143.807084 529.1864861 736.2258659 826.92696 1030.788206 147.3238299 2799.611512 2419.667455 8761.292971 1638.127061 2289.315675 3553.147681 2566.561533 143.0034401 651.7220287 103.9272073 519.0144895 68.56807995 1235.881169 1768.288167 1336.06459 489.5333833 3191.483164 1622.170661 1461.969126 657.8584305 762.8577675 5001.167981 604.6149454 1982.741085 3043.004521 4.07813e-08 392.4338257 4.07813e-08 4.07813e-08 2695.731481 299.1254425 845.2254428 1883.110466 361.9724596 Sulfolane 817.8939454 1001.554523 802.3737763 945.7637778 1055.440217 616.878153 643.00925 859.633482 1239.738303 533.9384277 536.818055 610.9672978 658.9977938 724.7043085 285.8999247 951.2045142 621.394815 628.5675461 576.3195704 620.8986819 411.2948306 611.0170096 381.1864734 595.9755931 717.7613444 778.7673635 584.2108135 411.0670025 715.2829504 693.5687165 480.5215871 433.1699684 543.4964607 656.2798493 683.9834341 862.4333595 826.6500731 517.3700782 607.6815766 256.6121167 538.5242783 528.3283527 482.819123 876.1535972 639.7521652 759.9243954 768.2175913 554.6148536 638.912985 804.7333409 441.1882529 512.8014491 646.9865573 918.1141847 D-Limonene 9366.780871 9765.910691 9936.78001 9379.933348 9313.744619 7274.191668 7599.500306 7824.816672 9037.944558 6202.760079 5522.558693 5530.591082 5588.243554 6218.74087 4624.832326 6998.358047 5926.768952 7159.509083 5860.656926 6308.275874 5666.224787 6387.101179 5889.572118 5568.276241 7237.900124 7712.225116 7396.774522 5593.05678 6126.202297 7113.458681 7065.183794 5565.240505 6117.688348 5626.070028 5981.595708 7175.340562 7023.157649 6100.44821 6293.732219 5768.298885 5716.952975 6544.423345 5974.054918 7822.060521 6866.760136 6965.666036 6500.308237 6083.360293 6536.279256 7377.779016 6056.960606 7238.099789 7596.749732 8646.868434 Isoeugenol 907.7940841 1525.967854 1635.412166 866.758596 1090.605846 939.6557864 1163.250493 837.409951 714.0548335 797.5850847 465.2890138 879.3910346 730.6272823 859.6684791 704.8210594 676.1687593 597.5610208 581.6735474 711.5248945 994.5862664 600.1155 560.2162786 613.7151262 701.4607542 848.4832082 722.3633584 863.1081452 908.4368388 737.8361421 707.3502197 611.0130072 843.5478735 723.7567791 531.1237289 879.2801077 817.4091266 1019.754984 855.4170615 1043.949551 698.8970828 452.1182671 1200.188305 677.938141 686.2620269 641.9473382 906.7778323 793.2533373 872.7396141 843.9037181 633.1634447 266.7364326 629.2069883 1063.977505 1281.791402 Piquerol A 1605.634281 983.1295741 1236.599619 860.9890418 1439.945524 1258.845518 1050.940278 902.4003613 1286.699042 798.4304703 779.4816994 847.6724288 783.1024124 982.4990097 789.8197791 1420.555476 745.6798531 858.0768977 556.814316 1218.914997 516.8537138 1295.892906 863.4012388 1397.393914 997.9389033 1554.969933 1134.583758 811.4730581 1025.601559 1482.280162 1273.770393 904.4211901 952.3890621 806.5537715 1017.138794 1096.998041 745.1943309 889.4980361 1171.057887 840.5324045 752.5744625 1207.502967 696.191083 1302.310877 1143.305373 920.9289061 978.1383337 946.4606404 1301.299497 1168.05682 1113.455465 1145.362483 921.3065726 957.8235417 Butyl ethyl malonate 8558.075353 8470.415355 8788.609405 8733.247716 7943.918591 7024.468713 6417.199169 6763.219872 7945.476075 5401.839867 4712.913242 4896.028795 5597.279531 5744.822899 3998.502057 6745.286479 4981.648776 6450.57334 5328.510921 5673.062221 4884.485834 5590.953483 5453.613616 5446.8716 6572.182493 7116.026389 6624.84565 5376.450064 5324.276087 6583.147751 6622.426478 5328.182695 6278.548704 4482.255066 5336.83513 7018.507785 5601.886797 5009.575341 5226.899848 5465.466376 6222.617392 5702.417508 5625.798176 7496.676733 6171.157267 6098.612176 5683.524982 5506.590494 6557.088403 6377.27347 5194.180237 6007.899335 6116.352478 8023.739445 4-hydroxy Nonenal Alkyne 18351.02581 16753.25565 19331.96662 18956.75735 17865.08657 15656.43976 15748.44678 17315.21954 20637.34977 11810.66172 10482.83268 10370.9228 11963.02733 12490.40699 9380.724916 15484.02274 12055.73347 13932.33879 11766.90626 13188.95538 12010.92881 12336.99586 11821.76211 13442.81951 16999.82869 17015.9537 14668.89573 10954.17251 11857.0375 14784.22639 13111.62752 12174.55658 14389.37796 11147.32285 13351.82877 14257.3137 14780.76339 12872.85212 13254.62464 11648.00921 14105.75877 14406.49717 12996.86585 16115.25625 13772.4471 14686.97475 13417.22139 12562.35964 16604.97893 16621.45652 12738.47579 13921.46901 13837.11471 16982.91575 N-Acetyl-p-benzoquinonimine 14031.79941 7751.791947 2972.432787 2421.823406 1449.473255 1859.471314 6518.244267 10440.08413 14048.15675 1359.486744 1183.468056 856.8526166 587.7679811 1094.698591 1010.610641 1336.829373 2260.969313 1048.577594 2590.974063 1312.648292 1355.413435 2109.133316 530.3767661 1164.075232 838.2745407 1275.312221 1036.531572 1511.878765 1336.750561 1197.95812 3012.407284 1732.156485 897.7503636 1179.22321 4407.224956 1348.724117 11146.01522 7898.927187 2330.114377 1193.519219 1879.880215 789.6442166 1198.274555 1265.543911 1052.681091 1509.829376 1550.232288 960.9365751 2774.344241 1667.51618 566.0181646 1156.197712 825.5959616 1820.774097 Arginyl-Glycine 6206.191169 14547.89232 12342.66642 14611.4219 11930.00345 11064.99908 7040.143644 16343.75045 35249.63026 19995.41151 17199.51798 28169.90657 17854.51224 13407.0416 8564.19732 9898.884841 13588.42715 18831.9746 4.07813e-08 2307.305252 6332.515369 584.0422872 554.0628947 2470.984144 3408.521406 4.07813e-08 1782.686084 16629.07412 15212.0792 8609.863408 10215.281 12422.38952 7625.620057 15099.82525 13698.76672 10032.16234 2318.596636 823.1851625 11145.66247 8600.258475 3106.313064 372.1699277 2963.956704 554.0415968 2259.783912 2788.906873 20569.46491 4820.70405 10736.48762 20469.91491 13501.54007 7130.504426 22489.07847 4495.072355 Acuminoside 3121.871828 4546.644034 3185.257775 1515.660427 4.07813e-08 3945.269894 2821.341254 1607.173534 1040.312216 89152.43716 78158.52143 106169.0528 83331.658 87674.32046 188096.6282 72172.82115 41640.33181 23118.64621 10700.74464 8153.507849 7883.689553 6036.334938 9545.222566 3771.213071 10989.39782 10865.41233 13318.98833 315871.2205 201070.2393 89234.76465 216719.4904 580817.5247 369531.6455 194762.9476 62420.11381 83554.79201 1770.302486 8358.71467 1898.919625 5992.056126 8514.600952 4628.452606 8594.25187 13553.64736 28875.60502 1429.280614 4.07813e-08 5609.661325 4798.237908 11698.10808 197650.0187 2698.837418 344313.4483 22925.40688 meta-O-Dealkylated flecainide lactam 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 788.6480296 4.07813e-08 5008.027973 2288.440156 7110.987669 6792.641336 4776.049377 5251.30434 2264.66795 2942.060851 27.777384 4.07813e-08 397.7851174 4.07813e-08 315.3388225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24129.40227 16672.36356 4208.385157 7390.381647 8824.642586 2850.960921 9949.182216 2557.648602 3654.129741 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1031.659382 1114.429095 1323.99137 12283.11148 4.07813e-08 5498.95097 2506.933354 2-(3-Carboxy-3-aminopropyl)-L-histidine 29441.79802 17285.95168 12231.16563 14890.13138 13838.33281 19943.99199 17578.35071 29855.82964 27283.78405 14042.06636 10352.14559 4812.631987 13994.96503 4064.071233 6268.129208 2662.008575 6278.159747 15516.98215 34506.72902 28091.46588 28616.86754 26089.44808 31248.12027 27185.70094 29067.26869 34822.14994 28493.11438 7903.056313 8907.198609 4556.586699 5254.503326 14251.04549 8845.105564 11629.25152 1212.384477 3139.273091 25536.59154 24525.77115 24797.80256 25602.0982 31576.64161 27659.77079 22910.7962 32136.00213 45465.1746 9239.341962 12032.8832 15211.9404 18866.77711 12840.56786 10330.41712 17816.11936 5158.799208 18868.44896 L-Anserine 58386.24092 45204.87038 58942.49288 86143.62169 48274.17643 46951.06017 42706.0359 53217.7874 47612.3882 27083.72801 30724.06624 14786.89687 37916.4284 22039.66411 22187.88851 16002.17331 16413.15724 25852.1618 112620.0773 95059.51195 113774.6799 95254.40282 91397.86555 80710.54581 87555.93076 124547.0138 90309.59404 45391.5877 29762.73188 22632.76329 33022.85424 47491.97785 27428.1665 60552.42885 17839.1174 22398.31177 80270.76558 85837.93224 99618.85153 92159.88322 99548.51092 87959.60971 66030.29571 98296.34562 127399.9787 45898.46862 46645.09063 64850.99003 71618.17327 68591.73714 44905.80281 68634.75137 44520.81517 62345.99724 Cellotetraose 74116.94806 97867.37827 75876.78042 101772.1882 37769.12691 79180.94578 142016.142 80162.46232 40207.80814 493489.9207 533359.3841 195628.1319 253335.8043 296795.3232 366208.4179 234796.9149 85263.95975 32481.53843 3440.971593 1256.867167 3045.231265 3009.70734 1084.137753 888.0907385 4.07813e-08 8689.64645 4130.458126 155426.9631 304337.0746 234069.4843 495814.7633 115054.294 256966.4925 728367.2462 335898.4872 442714.5722 18129.13063 11855.97352 19482.80608 4.07813e-08 4.07813e-08 4.07813e-08 2531.336619 3753.685375 3779.181416 5846.577609 12756.37441 29536.4954 44652.15554 21808.88513 61105.64874 32856.39022 916943.6955 69645.33041 5-Methylcytidine 38764.61823 46990.86896 19013.44788 49545.59464 27357.13238 20303.95966 37700.47103 36176.34748 47589.13497 25503.80742 21454.37733 12562.8218 27129.66985 10727.01226 19109.70069 12660.39199 8819.048905 10657.61858 17524.42915 16516.23208 21325.23241 17426.30052 20125.71268 13459.81034 17712.18887 18775.10735 17070.35919 9932.740905 14931.79295 9811.640603 15808.17636 11907.60895 12019.43411 21459.85589 18993.04573 9078.478222 24967.92852 20061.67511 25555.77164 22196.01831 17024.04682 17665.79813 13102.77797 16768.68553 15180.13567 8106.138019 21642.18647 15799.396 27323.0108 46611.57505 12662.1714 14028.07903 15278.23369 12355.52233 (R)-mevalonate 7681.583119 8658.848384 5418.762973 6799.526216 8750.36298 5428.754163 7354.990369 6471.173551 11022.15255 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12599.80717 8605.292479 8442.076677 4752.980569 7039.551431 12257.18591 4828.59518 4471.805862 19100.23542 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5740.968723 320.6126734 612.899696 8253.120265 6707.670616 7609.787471 5845.49491 4447.713079 12249.93583 7877.141413 2340.430553 9148.584531 8663.371376 6472.666347 3670.776981 1745.473039 4.07813e-08 4752.605856 560.2779778 11177.7243 Arabino-galactose 131202.4001 180005.6751 194688.4088 229660.6203 154862.5704 151659.5561 283019.6773 237645.7647 117210.0425 51775.47229 49365.64524 31161.13378 43667.99799 54214.94435 30385.02455 32965.04883 30211.91839 59947.47152 55312.93803 41464.69591 42305.20968 55658.28443 36499.75719 37366.85591 53238.89909 26648.00563 74989.60681 20621.62747 50934.77187 52954.14261 30853.236 56712.2654 41239.65273 36474.02668 29071.28409 39647.81897 47956.55991 75393.46086 97219.39575 52690.09601 57291.48403 44545.12275 34144.96417 31355.22192 15200.38268 36276.95527 26244.83178 72494.66554 97131.79563 130125.8377 50770.67571 74133.21726 33869.14584 131329.8682 Glutamylserine 12022.78822 13634.58454 10323.26686 13393.29212 10891.51257 7334.768167 10678.13417 11209.9582 8322.763085 17259.28041 18062.86542 14275.24797 17431.23291 12650.29426 11103.91529 11457.47864 13963.91782 13742.08631 12803.72273 22352.29419 13661.93832 11648.2882 15525.85853 12890.95235 12256.41095 14719.58321 15258.59471 8402.575042 13933.59451 17089.06562 8619.479018 14391.33503 12536.9312 7528.688589 8185.190412 13482.49527 5186.160485 10318.66617 12359.75185 11772.6372 11598.56126 14413.6718 12359.17955 13125.63709 14183.14051 11542.7782 14095.0876 11396.65446 13354.88514 13543.50975 14520.47318 12400.50699 16807.14903 14113.96432 3-Hydroxymethyltriazolopthalazinone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19279.74432 24739.42666 20604.76256 22522.4855 24762.83343 19480.6552 25587.45874 17222.24141 31575.22502 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22918.16861 22750.01454 53098.04018 10396.59928 40507.38658 28861.59745 21877.46557 10847.25998 47161.26602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 241.3559043 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31222.59716 4.07813e-08 45853.86514 4.07813e-08 5-Amino-6-ribitylamino uracil 64912.50041 45487.74881 53620.40255 43726.96261 47859.58315 54560.27366 54493.72154 48459.90555 51087.45256 14560.56528 14822.04828 5298.26278 12749.15287 8391.075677 9646.950691 6151.182035 7048.182455 11050.60907 92175.42014 73747.36605 75846.38372 65788.96076 77155.42747 82646.54702 73725.22839 86900.91794 84438.52462 9067.420555 12578.93266 8752.932292 9043.652113 16753.7576 11136.32317 13910.98666 5353.163806 7986.705785 56127.92882 75698.39046 64294.09185 74605.22187 72548.71502 81610.84651 70888.89888 82181.67741 100649.1978 58882.48324 49013.31606 63466.3193 57944.67605 46051.20625 19820.32004 60060.59771 11098.82406 68094.75873 Aspartyl-Asparagine 21461.09171 27684.08027 18291.85254 19480.38309 19115.18429 12886.40641 16344.8073 19425.38881 18884.93584 31911.71594 30050.86989 20275.49557 35491.77343 19571.99105 20152.12209 14074.27899 18445.90614 24251.87655 14510.45907 9764.423882 13644.01589 11625.06137 13303.39034 8754.20079 13933.31117 14048.57908 12238.71413 23735.46427 30547.77249 34301.77585 23404.2647 39329.4822 32017.40471 22980.22904 13038.25856 23715.62876 22561.88881 9187.641831 9388.141655 11061.44573 7891.102106 16481.43612 7350.544327 11325.70557 11235.10753 8127.312517 9302.816512 10262.37198 21138.27922 22487.14614 35860.66672 21090.64495 23016.49698 20056.26858 3-Hydroxysulfolane 3110.576536 1669.981457 2887.683884 984.9820657 6245.707009 5658.553864 3328.444821 685.6070868 798.5025952 48.7178938 85.33015091 470.45408 48.50100902 15.75074434 824.9609093 426.8876218 117.7228673 152.2394432 6587.146293 401.0544601 5050.908836 5423.142803 10399.4486 9378.06745 2577.237061 2288.529658 1595.790619 727.8557775 149.9692116 115.6563481 4.07813e-08 246.6826688 4.07813e-08 865.3153811 532.2490144 39.25167482 2152.198913 6251.722116 5030.653576 3944.633797 4529.417581 7392.076985 9050.169087 2772.552545 2804.416378 987.2724541 4317.522498 1548.904092 3452.932264 1608.338565 933.0139853 424.1835626 4.07813e-08 708.4044976 Hydroxyprolyl-Threonine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 635.5658026 7467.258288 6120.772183 10401.88729 7391.205087 12310.84247 9191.904518 12945.7236 14611.71678 7277.536851 112.4023845 4.07813e-08 4.07813e-08 4.07813e-08 28.87275497 4.07813e-08 4.07813e-08 44.10343969 4.07813e-08 5655.968473 11901.67591 10543.14238 11224.91668 7767.716037 8119.389381 7119.789475 11889.75326 15212.74397 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.15061318 4.07813e-08 4.07813e-08 4.07813e-08 174.3935548 3162.291603 4.07813e-08 4.07813e-08 4.07813e-08 9102.144799 4.07813e-08 5732.630411 4.07813e-08 Isobergaptol 6686.980431 5385.990857 7997.903956 5392.738745 5700.108144 5656.381464 5589.335041 5354.390974 4758.3429 3054.902714 3230.743059 3172.43705 3370.713437 4178.456825 2771.708978 5363.499882 3314.692508 4300.220953 2897.708935 3737.086719 3142.101099 4173.957963 3435.466304 3513.537737 3554.127181 5353.955485 4578.862019 3632.527557 4375.358406 4438.486493 4404.87119 4193.601562 3562.833867 2688.233207 4609.714588 5239.268031 4719.161906 4330.989637 5195.126317 2552.557711 3249.516596 4171.410725 3526.060594 4691.183679 4452.411887 5217.147974 4569.292593 4402.308883 3862.794019 3333.675925 2771.198515 3972.875169 4677.964895 5718.227339 Aspartyl-Leucine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4789.17586 4710.85095 4325.018715 4484.91343 3432.106916 5628.323921 4473.435384 6592.508049 3291.560636 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3272.643697 5657.532452 4441.731185 4013.998798 3677.510759 4137.919382 3983.526305 5141.748872 3806.544023 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3899.273336 4.07813e-08 4160.874969 4.07813e-08 (+)-(S)-Carvone 1108.345953 880.6948362 1307.397701 1683.71557 958.3136503 533.4148393 838.8850899 1049.481231 1044.03746 1117.567612 1068.94413 909.6139913 725.5402859 968.1489096 659.9627678 1483.93426 1034.185625 942.9213854 555.6576235 811.229235 421.1525914 494.8267289 469.6034002 434.0459237 640.9115652 786.5236456 285.3841879 449.3640488 971.6408439 1050.745281 977.4110943 834.8747811 1203.795087 694.5713626 1132.431286 1006.460167 847.7025825 724.8095167 489.0871508 290.2608679 882.8255883 904.4348582 764.7232646 797.6714835 792.8249119 983.3646907 933.2673574 444.812903 671.4275091 422.027598 659.0497535 511.8142752 787.8916588 1173.080314 N-Acetylhistamine 202.5541692 689.6305546 186.3629992 167.1102321 239.4403959 4.07813e-08 268.6073793 168.7878281 708.3818202 348.5579914 555.989241 210.747522 488.0334649 101.1973306 221.0714803 322.5426923 228.2343748 446.823008 569.1345562 540.3769712 2332.471428 750.1905482 722.1554526 515.0969134 615.2909112 562.1194724 315.5387728 502.1304088 709.7590526 424.8918777 491.3581459 1102.146152 524.1587841 484.1968864 125.1292285 557.4957086 1076.469533 914.7384359 844.9317473 692.2137168 698.668795 756.7624128 588.9338356 636.0120228 4536.117954 555.821631 480.6852557 642.9479823 206.4502231 613.7585855 1216.070624 466.6157722 498.901371 457.4995798 Pefloxacin 929.2822386 1814.044084 2038.708829 6123.039086 2814.319808 3644.722713 3426.454265 4726.879684 1290.032591 5999.20216 7993.850918 5125.548494 6462.248716 7288.986475 12940.46654 8005.27474 21235.11119 9308.528726 4239.724302 1123.145995 5823.429728 3904.546372 1876.386436 1392.910922 1504.106003 3858.181223 3052.576835 14428.54694 9625.750834 7798.335877 8057.42547 12349.23687 6610.777118 6394.937181 18408.15217 18821.83697 3804.801856 3253.95943 6807.728502 5823.004315 4097.122693 4689.439744 1624.172553 3395.300248 2478.282506 1678.36214 1791.260129 4620.174048 6750.81419 12898.96478 8421.180765 4832.117243 7242.846269 2403.28006 Cuelure 12661.73768 9586.300962 11539.15337 14930.50805 16239.27532 11423.32656 11531.23117 10413.80174 5858.509957 1300.588221 860.8397098 167.0422143 826.2121745 807.267694 196.2171304 256.519666 220.3530244 474.2624314 32499.08463 28889.32068 21431.8131 26849.2556 31098.88757 27492.09912 25115.20279 32977.91048 32222.14634 248.6632574 931.8146022 915.760975 101.7876143 1805.530328 609.3599535 399.4529954 4.07813e-08 472.0253198 17925.23511 20077.699 15542.80738 24420.9537 27531.42308 26792.54337 24815.05595 30959.19623 41142.80862 20725.908 17676.30841 18221.0413 15542.3529 12973.10316 1006.690086 15416.58304 597.1204108 18468.77659 Nitroxoline 5186.989841 4194.88354 5068.460243 3565.43473 5121.850268 3564.963501 3892.268902 3527.409101 3378.55933 2388.880081 1882.024755 2123.589198 2860.978388 1588.997418 2143.500534 745.5210698 250.5254833 434.5522957 6293.380834 6752.133268 5913.521391 6331.554687 4572.461149 6611.31137 5695.808262 6405.664129 6017.288147 1167.403068 1848.094374 1600.959661 684.718914 2025.162216 1986.835907 2550.937418 1168.229222 1068.08562 5357.985497 5601.379275 5377.340621 6156.868461 4200.150794 5833.446183 5348.248949 6666.597734 6673.136059 4389.813026 4043.404302 3810.435776 4362.184553 4252.390221 3000.591312 4553.075585 2154.158068 4933.31812 Cyclohexylamine 662.3082113 604.4755124 1107.753422 931.5078163 1066.584509 824.3460692 475.3580839 285.9571765 283.489344 381.9952066 234.4423962 180.827366 470.7049724 370.9588244 145.8043441 437.9444797 190.219086 328.7917355 500.7590237 678.8786716 487.2422309 626.9530827 712.6601213 459.4765291 485.174628 408.7135018 763.5829196 88.05554311 376.3418789 807.6605026 266.7692184 319.3354049 395.3850785 405.5443887 304.3603533 581.0235565 668.6041969 589.1291522 571.6475711 640.6371033 490.0153383 539.5569574 477.551935 883.5180054 433.800249 804.9453548 672.9955482 368.7835358 393.1279892 593.0460567 311.1529434 365.7060375 330.5311004 724.046133 Aspartyl-Threonine 4.07813e-08 4.07813e-08 86.90516129 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1217.309211 831.1905686 238.3575785 1437.045948 644.2571291 1131.809288 154.1602175 1280.098791 946.0000111 87.34552679 4.07813e-08 145.6056972 4.07813e-08 4.07813e-08 107.4161073 4.07813e-08 4.07813e-08 157.618913 348.7797734 935.4530261 294.2064737 562.2848618 975.4631511 1459.749853 797.2685377 4.07813e-08 656.805139 4.07813e-08 100.1505887 4.07813e-08 4.07813e-08 76.04593145 4.07813e-08 4.07813e-08 158.7648873 218.0948183 133.7087427 4.07813e-08 4.07813e-08 4.07813e-08 97.25665647 996.5802973 4.07813e-08 988.1090907 4.07813e-08 4-Nitrophenol-alpha-D-galactopyranoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7363.841614 4341.825555 2906.974418 5951.687634 4592.724136 4285.646574 2484.613273 6805.814256 6589.586022 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6225.662735 5979.714756 7409.556027 3498.895239 11430.51445 5069.599808 5864.808555 3554.55482 5738.000711 4.07813e-08 0.004500368 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9725.635798 4.07813e-08 6901.865936 4.07813e-08 Phenylethylamine 1557.940426 1865.679244 1598.110728 1565.254809 1588.381683 2009.396656 1513.037526 1067.465234 1098.064799 870.0645734 274.2200182 147.7947184 834.702649 72.66711659 263.6909577 110.5394938 193.6186162 308.3337917 4409.326474 4934.940647 3539.475527 3304.266018 4001.945201 4201.573764 3416.821145 1987.988164 2556.095466 311.8617337 647.545543 239.4764376 388.7094813 382.6269481 357.0301043 691.0563583 50.58837342 144.2884481 2166.00712 3808.652389 3323.230021 3861.057227 2991.272168 3285.93598 3373.825506 2289.039333 4697.53605 3013.100268 1916.476723 1912.354828 2040.990412 2167.209158 674.9877735 2796.95669 455.8840084 2130.153826 2-Heptanethiol 287292.722 341466.5508 187018.2835 192209.9816 153020.4341 143797.6871 270859.238 468485.7719 656204.7592 232902.3724 233342.3568 374689.4284 254549.9574 218058.1564 249942.4241 232354.7381 268353.6464 399271.4867 100231.0121 99746.47997 137683.1483 47049.12469 90924.15213 102488.6638 208362.5782 145785.1437 99289.8787 616417.6977 299642.999 302766.1525 482558.7474 278428.2485 336351.0192 282603.3561 315272.6061 238821.1549 258590.2829 102426.1126 111889.1633 148684.3087 104548.3899 79948.06037 146922.6538 174130.0923 75499.74736 212066.0806 262423.0885 254553.7193 237618.4915 310190.8079 211993.3902 305437.5497 590474.1235 205571.1703 4-Quinolinecarboxylic acid 2736.970286 2262.972071 3520.225067 4891.744013 3953.604271 3523.418226 2926.44599 1725.259218 2219.727643 358.9418924 333.5753269 157.757642 242.0682268 284.0299824 105.571107 228.3454313 164.6998127 94.04173506 3777.246061 3484.107868 2327.602395 3275.225978 2441.395072 3478.311854 2701.932328 3737.870529 3692.401268 56.68122074 321.3037365 570.2466455 102.955966 44.23100936 377.7142876 221.3264013 485.5685548 371.4868881 2509.610232 3197.684009 2743.803938 2572.618992 2845.050115 2868.599422 3099.744451 3743.712266 3199.576794 3468.260479 2253.918448 2339.411144 2361.927371 1887.241083 338.1151948 2425.474031 237.5114609 3350.181754 Histidinyl-Threonine 6558.647017 5055.382181 7118.943412 8261.247756 11305.82506 8620.56745 7807.696058 6517.71021 5994.4577 4.07813e-08 4.07813e-08 40.76559739 1.203801001 18.62946282 37.36180451 1.610652172 99.03967027 85.67244873 14921.34447 13996.99207 14334.45019 12403.72864 21755.68862 14453.75816 15741.39363 16310.60367 14610.5686 31.8457146 40.60321109 2.729955488 46.73908109 16.28269727 4.07813e-08 38.44345497 22.7176012 7.619505551 6403.823146 14486.95389 11581.01933 14328.84716 14398.51712 17393.13099 16161.98866 12635.266 14052.40874 11428.09834 7340.679721 9627.480493 9669.630918 7548.750977 24.3566096 7949.888623 24.93983857 9460.826381 (-)-3,5-Cadinadiene 3140.750871 4096.244339 4002.702315 3310.904539 3736.335606 2999.465534 2973.485578 2725.838419 2640.947594 2383.161214 1922.25126 2095.057224 2332.761804 2028.191633 2000.448159 2345.564717 2113.815848 2416.699314 2711.816949 2540.326893 2022.934582 2680.551152 2288.444813 2402.101245 2726.909819 3034.627984 2832.190256 2387.295679 2232.992319 3052.992736 2012.771178 1716.985871 2093.069911 1804.047599 2609.001753 3026.027285 2794.66096 2438.824528 2337.667154 1807.919692 2229.78648 2334.199486 2071.974123 3936.569755 2715.607502 3134.789449 2423.796135 2396.843232 2436.275461 3095.810679 2067.621003 2942.353093 2674.236047 2976.758547 (2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol 9731.396636 8253.518188 11651.49641 9170.50057 11921.06382 8984.329157 10296.95867 8363.478941 7631.361945 1694.146906 1539.70111 1526.678813 1605.249081 1460.68255 1522.445335 874.8393611 1182.521677 1125.307161 15279.63477 15094.7837 13056.79237 14739.89239 17900.98607 16628.54115 15032.97556 17902.51533 17077.87006 1577.776262 2184.187069 2347.04576 1309.418804 2964.813263 2144.19953 1713.349854 921.878914 1438.907514 10309.43274 12918.86626 11454.79551 14191.82477 18312.22902 16307.73495 15697.98207 20032.12184 21862.14874 14148.49356 11005.60981 11207.1403 9585.081391 7956.631793 2309.803642 11260.53232 2078.881659 13206.20383 Simmondsin 5366.781782 8893.827963 7083.71519 16430.82054 17613.96373 10153.19058 11300.81553 17893.56449 8684.914198 9566.655113 5832.078645 2661.540753 11282.76163 4242.060486 3740.395153 1452.830167 4618.74739 5936.602837 4450.537114 1477.211416 3538.30066 708.8977898 1434.123389 4415.270515 1705.44322 10.97556369 4641.930174 4304.615034 4574.393061 3961.01006 3419.936094 4463.754365 2671.015326 3205.411216 1281.262716 2858.711904 6087.740834 7470.117138 14170.57206 9600.62157 10932.69175 6358.362993 10486.43175 1716.358786 792.1603902 7623.869012 5857.809937 9845.796859 22043.06516 27882.42493 5217.357528 17161.8901 5329.870143 10002.46769 1,5-Naphthalenediamine 4.07813e-08 57.69319087 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2467.32799 2129.385184 1287.999128 2551.053299 1135.63166 2188.319343 1375.795749 1892.116864 1755.269727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3723.228613 2695.059287 2978.291202 3447.198358 3443.486918 2455.087202 3540.932323 1963.445491 1977.431872 175.4150433 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.82839102 79.96096829 2720.012154 4.07813e-08 3439.53182 4.07813e-08 (R)-(+)-alpha-Terpineol 1986.323774 1833.752909 1746.283106 2056.751126 2209.08172 1652.174591 1430.236297 1563.694216 1861.666491 1058.476702 1125.880471 1243.00963 899.7071318 1218.759997 902.3704864 1612.507193 1222.465005 1147.861491 1262.185735 1073.143304 1106.595928 1101.117097 1078.773984 985.9513227 1616.522403 1557.20478 1082.70245 1212.328165 1444.625808 1451.784372 1567.356524 950.8596762 1239.835783 745.3330255 1323.277039 1750.116574 1610.277267 1098.989019 1235.036138 952.9881572 1170.363517 1429.114295 992.9732379 1775.62867 1686.540914 1728.891702 1416.410079 965.752368 1462.985952 1159.893779 994.9991221 1732.300396 1401.091913 1801.589015 Fenitropan 3577.633889 4273.716967 5276.155777 8474.770326 7657.334652 5036.887079 5063.860456 1816.721122 2298.301285 1023.8748 1712.960974 2455.656313 1428.098994 2655.325655 2406.578789 1203.540963 26.38659398 635.2617608 6881.770271 6713.891051 6451.765063 5525.944123 8228.214058 5899.723361 6404.361555 6918.554371 7269.247373 1902.050338 1110.136276 2711.061577 947.1172379 3352.054735 3359.353976 1485.467865 914.1862747 1939.38828 4850.373202 5452.034648 6066.957667 7564.670227 4602.532872 7436.624817 4945.005849 7925.607999 8063.98725 6099.023322 5757.960811 4791.820803 4153.273312 4714.984787 833.02015 5914.411423 3547.256686 7081.217707 Perillyl acetate 976.9705503 226.0914485 1409.295211 613.9405525 269.6671039 4431.033732 3149.344143 2329.532765 513.8250031 54.75957258 41.49015019 41.51814395 4.07813e-08 100.7067295 42.38817133 128.0295673 38.79324246 48.66665762 4237.354149 839.7792048 5895.678266 2503.925594 7223.070794 8087.945894 2554.634385 2706.858197 3509.566551 39.53287968 142.330336 107.4208597 79.01837995 53.06331632 112.8680929 4.07813e-08 126.6918085 96.53864799 3681.788274 1557.42603 6019.155657 1933.375752 2571.247404 5250.212702 6910.604135 4976.844909 2298.98144 1833.970746 1890.855237 4189.588638 2397.72369 1856.207004 4.07813e-08 2369.853583 174.0311132 1867.811649 Arginyl-Phenylalanine 16388.64051 16309.56501 16882.25714 25256.02255 18530.81445 13974.69936 21316.25076 16830.61582 10035.17257 4314.863215 5380.370784 3692.230758 5578.11333 2250.933351 7087.62438 3300.324394 4128.621604 2408.948876 12092.87227 9383.474094 19021.73537 11816.03804 15385.26807 10304.16762 11428.81303 9993.276143 11377.72445 3513.195118 3907.128109 3347.604625 5577.084313 3861.654338 3434.840718 6943.117887 4946.967059 3717.73683 22906.18814 16753.52317 20440.67899 24763.84391 11621.45489 10540.5095 8984.229851 9329.271339 9712.262918 8060.305473 6887.520366 7253.997518 11549.27598 19631.38663 3894.857762 5299.687997 8136.267309 3466.894835 2-Decenoic acid, 9-hydroxy-, [S-(E)]-; (S,E)-(+)-9-Hydroxy-2-decenoic acid 2769.440104 1195.894789 1736.48349 1718.673916 1982.958046 1636.80013 1225.969744 2054.149656 1574.85779 907.7770733 938.4299562 863.5150961 985.2171978 1272.751172 726.4304199 1810.526626 913.662544 847.8743038 1183.840247 1556.618683 1273.383188 962.0155563 764.293844 1057.420201 1734.60087 1236.388905 1725.608684 882.9174179 867.2559388 1101.198747 1083.810085 988.2796341 1331.441646 1037.860942 1208.221405 1466.281263 1371.778131 984.0656722 1408.509577 874.0134561 1705.699772 1641.071253 1273.519993 1869.585431 1537.892425 1139.278798 1231.498874 841.9325653 1347.986507 1679.662922 1209.922446 1271.236367 1350.636589 1729.972212 Flindersiachromone 1226.083584 1484.144689 784.2296193 676.9455268 619.5864104 497.2024079 1507.648318 673.097213 308.330861 437.5325106 67.67871408 296.3774236 364.4398419 112.1389632 413.9616455 4.07813e-08 92.25583615 557.7997051 3654.039525 2951.367867 2704.718172 2583.770872 3791.517203 3505.544764 2663.714626 2981.877639 3374.644299 621.4225261 169.8683695 247.1043308 54.84236836 639.485165 321.0363341 339.1491662 4.07813e-08 214.3826323 2445.748208 2392.165922 2687.892252 2807.514577 2939.432229 3187.600359 3125.265122 2858.882731 4652.743957 2518.478123 2174.102704 2013.073448 1634.941112 2338.682548 505.1269743 1870.049601 323.6311858 2098.575618 2-Butyl-4,5-diethyloxazole 4853.822031 4752.007741 6348.93584 4758.078777 4313.211523 5752.338479 4841.702024 6446.406501 4743.691639 1309.03558 1064.089529 1229.694282 1344.992307 1416.952851 897.4590839 2172.782802 961.0694942 904.8732303 3869.393839 3653.57488 4288.545037 3178.908005 5858.461151 5615.505637 4084.573708 3896.496251 5788.594992 1061.593568 1537.252547 1299.661665 1363.986845 1653.096146 1573.951716 1329.536018 1066.067653 2024.837329 3955.028282 5365.741178 4423.298439 5522.26666 3793.908744 4090.502974 6493.207399 5126.724478 3129.807409 6886.288434 3204.792561 4511.803177 3969.862967 4494.277499 1666.720317 4245.139485 1414.310291 5524.891706 1-Methoxy-4-methylbenzene 2377.06053 2421.689673 3488.471359 2945.499158 3103.99233 5190.715896 4326.444153 4072.624877 3795.625741 900.1418669 842.8679536 869.0695072 1042.271096 908.3607264 877.8753327 889.1407844 1113.590914 1259.221384 3116.001803 4810.624245 4091.681381 4392.709642 4124.864643 6365.086525 3992.287008 2585.276698 1596.59644 990.2349134 911.6174288 925.1206293 1071.504422 984.0117308 1030.540659 864.420044 1006.023008 1122.182787 2899.747844 2828.348912 2728.456939 3440.876714 5333.236463 2861.058021 4980.510749 2326.8473 1413.646391 7697.920876 5263.206241 5945.137916 3520.076295 2915.414425 2192.347587 4584.196885 1270.681691 3192.500679 (4S)-Dihydrocurcumenone 9557.951947 9969.959996 9581.18675 9041.555586 9963.419531 8228.63286 9186.237654 7999.232549 8560.711101 6197.301155 5244.322197 5251.378079 5769.38473 6157.010649 5507.860878 6129.127705 4812.714026 5848.298661 6544.493826 5744.269829 6290.003674 6280.463923 5401.155162 7225.649119 6708.959517 7195.408156 6777.544059 5309.734258 6318.045488 8228.571047 7302.314032 6628.49663 5448.841394 5491.885887 5955.146072 6883.039108 7054.612969 6288.777491 6880.485187 7035.118176 5831.269936 6472.363321 6092.225964 7899.109925 6792.81576 7409.928689 7073.595732 7136.502715 6643.488731 6476.065089 5590.436024 7833.294674 5963.975972 8964.738555 Eremopetasinorol 6381.676926 5996.543001 6462.987893 6241.812413 5691.13357 5453.503967 5723.80839 5817.605473 6448.588645 4547.222609 3553.447835 4184.23433 3581.644034 4157.350481 3613.806663 6330.247191 4441.489135 4437.237086 4824.470544 4605.47765 4799.513718 4184.089585 4667.48487 5022.483571 5612.222787 5480.865233 4823.975454 4004.022735 3965.32148 4826.556398 4369.319168 4172.975189 4136.597012 3673.798422 5577.067579 4838.277805 5058.75681 4230.750266 4323.011419 4506.673074 5035.496346 4075.742375 4873.771076 5693.361476 4764.841349 5610.638558 5202.440015 4906.36817 5590.323255 5242.158648 3575.170085 4793.143351 4868.336835 5816.034605 N-Acetyl desmethyl frovatriptan 28095.95063 18974.62518 57419.08387 18531.08987 29629.04901 87467.86048 34623.59022 31315.22957 43238.55317 4.07813e-08 4.07813e-08 145.3063708 4.07813e-08 4.07813e-08 309.6213918 4.07813e-08 1549.288237 4.07813e-08 76766.28886 121158.8831 115611.7833 118320.6383 152550.3762 204472.2619 121076.5047 38566.75172 35313.19783 201.6203109 125.1599428 4.07813e-08 1110.245841 360.0502775 165.094834 1218.713477 379.6341376 242.9977811 32522.16826 71481.51118 67815.62893 113848.9802 97284.61753 126615.1411 181472.6978 40276.45542 43692.13259 190958.934 98530.86102 116184.581 45547.47481 34688.84049 14376.99527 76134.30056 733.4226727 65666.76092 18-Hydroxycortisol 149.3796254 1394.176161 162.301586 1683.941471 4.07813e-08 204.0862313 1249.296883 4.07813e-08 185.1310259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 664.1645658 10479.98897 1234.144578 6961.688707 6086.290731 2393.101572 409.1172958 4.07813e-08 318.6362541 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 682.2235182 15780.52294 1596.962483 2224.279428 8293.30874 4112.228998 2341.110043 4.07813e-08 4.07813e-08 4956.728356 5166.464144 9359.07116 227.342541 458.9725752 4.07813e-08 2755.205287 4.07813e-08 4.07813e-08 16,16-dimethyl-PGE2 262.3036827 79.49754825 1107.215904 2423.823041 1192.091488 5153.65105 3264.017985 166.0715235 148.914971 108.751252 241.6733671 10.80280685 40.00255506 440.2656083 97.10638743 354.8991555 207.7064687 275.9477406 6782.21699 10615.35067 6773.937358 7925.460042 12028.08163 17714.58851 5071.547731 307.593531 4042.246131 107.6950737 4.968819422 442.9833433 4.07813e-08 105.163792 7.899081913 4.07813e-08 366.2649854 47.02381527 1575.201158 5112.15027 3003.365903 6189.845526 10470.75411 7408.586748 12313.67717 287.9857575 2656.252965 12360.02665 6264.204292 6585.082774 723.2056292 318.0525689 4.07813e-08 3962.68615 4.07813e-08 1605.63288 Antibiotic JI-20B 839.3419456 6474.183934 16994.47688 11662.73962 15296.76185 27418.57187 18685.16869 15708.53274 15780.2898 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19222.16403 14390.64193 20114.42975 11431.58719 14982.63151 13902.34252 10241.17265 6033.950957 2690.631419 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18200.75016 4333.564165 18432.10508 14806.7811 13096.74494 9441.54303 10321.4246 3943.43796 1445.528035 48520.96295 31942.06163 22872.33695 12373.9802 5894.16934 3620.738544 23493.28115 4.07813e-08 15682.30912 Methyl 2E,4Z-hexadecadienoate 3677.769355 1789.164557 3627.195809 2846.981592 4183.652672 5149.80419 4190.850064 2953.232712 2736.177817 345.5911337 881.695371 619.3805633 658.153127 445.5973468 623.298822 753.1961328 414.5787166 954.0101823 10966.38113 8467.419293 6496.45948 8693.906059 6005.583777 10869.33459 8862.584975 5961.819622 7759.086464 491.2767621 625.3692567 1109.597616 571.4155475 555.5687169 897.8911863 684.744325 496.994825 930.4588013 4383.130309 4129.878377 4847.263534 3943.419003 11723.3266 4996.315397 11747.98907 5402.244623 9303.364534 6347.242532 5167.218825 4027.961053 7478.597042 2276.020938 466.8448004 9494.11196 915.8212881 6251.716373 Curcumanolide A 1157.354452 243.9594566 505.0579098 736.7553992 4.07813e-08 11110.53103 7849.442195 755.2516037 265.8170014 386.1379466 416.9022361 263.3395672 339.9632732 919.3489146 874.1950729 1290.027916 1352.967478 816.171814 883.4863057 857.572972 2498.021089 5952.588602 4936.239372 5459.967116 2584.212882 5439.79402 4474.439508 426.2038902 1114.362439 1398.946231 2357.10633 1746.302689 604.2051538 1919.985452 1251.390065 2455.456026 8299.099876 3799.143573 5406.745442 5419.996123 4244.519139 2374.703414 4361.374927 3144.602234 1569.988789 230.7465359 1223.675554 3807.731245 5406.014724 3067.503018 3568.305309 1230.363933 3074.458428 1424.9672190000001 8-Deoxy-11,13-dihydroxygrosheimin 1903.511316 1832.011689 1850.189995 1448.213074 1814.352099 1742.531912 1015.912748 1820.439388 2083.766099 1515.598824 1662.552277 935.7731032 1114.054428 1719.733085 988.4381895 1616.660188 1254.125932 1480.368675 1432.661131 1847.972892 1248.993136 1656.725972 1394.805928 1577.666382 2167.852288 1568.645527 2434.968205 1183.067531 951.7952529 1689.29737 1603.88614 1034.524038 1463.316587 1564.330826 4678.426363 1398.164954 2015.390933 1750.936452 1513.351829 1443.418736 1628.089481 1651.549083 1764.103957 1795.749035 1587.564415 2364.598302 2818.874008 1818.798795 1782.121968 1700.581494 1102.961724 2632.759095 1744.975685 1910.699108 8-HETrE 11062.42894 6977.562493 12746.30435 18467.90515 14807.53619 55369.49862 12618.31417 5812.2082 9646.210261 129.4947103 167.1681981 68.69807473 4.07813e-08 4.07813e-08 119.7797633 4.07813e-08 4.07813e-08 79.73596404 14424.23146 12272.30276 10768.39992 15145.73066 22459.57773 28328.75998 11249.15864 6285.823052 13438.05695 99.57572714 63.24701711 91.26954946 64.50980508 119.5006922 4.07813e-08 18.79644378 99.02980661 151.2907583 14272.08425 13358.78702 9270.723626 15549.70614 21303.61178 16848.6495 34413.7637 5358.874475 14231.34516 7934.861781 6022.908847 8391.352962 5785.875067 2864.257794 4.07813e-08 8291.679954 3609.195444 8556.140059 Saponin H 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17377.29092 31951.36286 8042.60587 9845.843081 20984.6528 19151.44608 15867.43726 41592.7294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20904.27909 5981.515744 33010.19101 17662.94506 43617.96641 18279.86176 15316.80164 24184.02452 13521.50996 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20115.81964 4.07813e-08 48238.74258 4.07813e-08 3-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4,6-trihydroxyphenyl]propanoic acid 6075.531687 3192.299149 8094.562626 18856.47414 11600.93707 18645.38793 9298.813181 50859.85166 7256.963933 89.30239928 4.07813e-08 4.07813e-08 4.07813e-08 76.298534 4.07813e-08 198.4951684 4.07813e-08 1878.018559 5524.600671 5713.63187 11192.6649 21108.90536 8163.824403 8172.363401 2690.28207 19205.97721 19319.13828 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2807.529854 4.07813e-08 4.07813e-08 4.07813e-08 1926.738367 8974.627716 5177.158544 15410.44843 10188.04344 19453.89179 8418.305058 6558.198414 21601.43985 3996.759126 5697.560748 9058.381645 15108.18393 12508.78021 15567.25961 1016.300985 11585.6671 87.10145955 29808.27458 Triamcinolone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 943.4075023 789.3290527 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 508.2060208 4.07813e-08 4.07813e-08 265.8813056 1175.935079 1003.173234 5595.078535 1452.013882 2481.860456 4.07813e-08 12342.5656 1451.377749 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.5884267 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16244.19716 3472.035788 2070.503007 1247.539209 4707.142247 4.07813e-08 2125.556966 4981.741162 1237.982915 4.07813e-08 230.8597982 767.9065184 4.07813e-08 189.3685337 4.07813e-08 122.8888525 4.07813e-08 4.07813e-08 13'-Carboxy-alpha-tocopherol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7579.71147 10138.92612 7768.547582 5238.021445 21441.66472 7406.880943 12257.82123 25869.46572 805.6897664 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2788.454442 2795.448166 7556.491266 3521.766009 12805.58997 3860.03299 1050.507315 3478.840875 6852.776182 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3929.406937 4.07813e-08 7881.563012 4.07813e-08 (3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one 4.07813e-08 4.07813e-08 4.07813e-08 176.1985136 4.07813e-08 155.3501691 320.1429861 4.07813e-08 4.07813e-08 614.120559 702.9157252 339.049016 4.07813e-08 2026.862116 463.1530476 949.9118303 8901.179793 1245.767557 4.07813e-08 4.07813e-08 689.8779268 4.07813e-08 340.8147495 839.8708466 4.07813e-08 1445.284485 574.4124844 4.07813e-08 4.07813e-08 367.6321047 4.07813e-08 673.2238011 4.07813e-08 4.07813e-08 202.7947981 307.4148166 4.07813e-08 4.07813e-08 118.3603692 4.07813e-08 376.8079848 4.07813e-08 4.07813e-08 973.987098 4.07813e-08 535.890373 637.593257 499.7259 4.07813e-08 4.07813e-08 374.3253604 4.07813e-08 813.5626041 194.3463163 Physeteric acid 11325.75882 13237.76794 14996.46292 12456.08255 14042.58881 12668.63625 9648.289764 13462.6032 12525.40519 7666.581041 6985.968638 6939.531929 7981.604368 7512.241493 5882.728922 9642.501691 6743.504429 8370.955023 10556.82325 12988.01939 10300.12433 9166.678699 9956.975694 10526.22354 9894.872322 15740.56987 10003.771 7323.455163 8967.404977 9183.356099 9038.374513 7291.13072 7504.680052 7043.171687 9498.76392 9146.537737 9872.742029 9783.986055 9924.363632 12185.08392 9060.844244 10443.18252 12647.46699 18016.32707 9919.698855 18777.99159 11354.11487 11457.32346 10073.42697 9783.046126 6777.378048 11575.5371 10747.08676 12473.61083 Mangiferic acid 1184.886736 913.307745 2152.825205 1498.752035 1814.209186 1547.163942 982.7010875 745.6664034 1407.298401 403.0223158 183.9439004 175.3447585 277.4838129 430.2145934 358.207753 261.3336993 4.07813e-08 378.6085488 1713.154227 2012.395749 1216.119699 1320.300767 1799.078843 2053.579524 1767.980339 8620.277923 2261.783894 317.4618579 128.8141766 546.7091621 372.4653654 515.656937 254.0964459 71.49818899 581.0611963 226.5528606 594.08756 1390.92468 1071.594461 960.0950776 1803.66014 1057.858052 1937.285669 7512.747512 2332.674482 1254.108442 1750.76273 1231.289429 878.2018236 941.9853741 369.7840437 1898.128438 524.6301701 1759.832335 PGJ2 4653.072574 7003.63838 11972.21678 10660.15604 16629.61594 10430.37066 7383.611635 3581.404394 6617.315582 2215.920937 1252.135897 384.21204 1570.898483 361.6267795 1414.68366 251.8284683 322.6252737 371.7464302 10174.40708 11656.44334 7862.333221 8861.470848 7664.144763 12264.60854 5426.450939 11018.72374 6556.354163 131.39383 1109.36823 1007.008768 606.9839804 672.7728072 425.067193 1335.289807 1464.080312 151.2974769 6955.236674 8226.751279 5728.377009 4942.365106 7282.622279 4657.772843 9144.621325 8161.525164 10980.53445 4987.306221 5624.277008 7290.107004 4377.438566 3366.779642 1049.694329 6735.834568 1325.686422 7369.506786 Limonene aldehyde 4884.163503 5773.301463 4768.90676 4587.647823 4749.537717 3640.369091 3899.935476 3953.617368 4885.880594 3421.109251 3284.706045 3256.113706 3309.897762 3481.620787 2760.458626 3487.357506 3117.819929 3878.055363 2708.025943 3303.089623 2855.919615 3362.584945 2489.935344 3137.961713 3439.451803 4002.271791 4404.13906 3104.468031 3140.250274 4319.500682 3719.681375 3597.98403 3550.644746 3325.448802 3770.8215 4056.164239 4318.315935 3325.760166 3097.612366 2764.441556 3449.059561 3207.779915 3154.922838 4398.284802 4399.404063 2731.014503 3055.327388 2804.870154 3923.568555 3681.574712 3578.451296 3455.331586 3776.870426 4831.798799 (1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid 146.8504716 215.4895333 682.6314455 245.9780074 228.4298225 485.5401965 993.0919916 4.07813e-08 659.7438988 7484.332143 8373.433286 2475.774923 4996.96719 6410.059271 2014.877945 7382.004005 14136.75816 4407.286842 432.0519826 543.1911483 572.131532 279.130635 319.3676164 308.2921077 4.07813e-08 756.2397427 115.4582533 4056.841701 5120.057051 7960.379604 7692.109923 6353.788484 2312.629897 1988.190977 6734.702924 3643.653622 458.9190361 574.0394917 240.8286073 77.70646282 90.22948661 115.0962956 4.07813e-08 388.6625434 4.07813e-08 81.49163058 1110.031644 306.4276346 119.4757527 446.334484 2097.087227 353.2799145 12533.83869 426.373463 Glucosylsphingosine 4.07813e-08 4.07813e-08 256.3337038 4.07813e-08 244.5930332 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 157.0782876 4.07813e-08 4.07813e-08 4.07813e-08 237.5786718 4.07813e-08 160.5037593 4.07813e-08 136.32956 311.196494 323.4258039 4.07813e-08 258.8899404 227.5253102 173.8239516 4.07813e-08 4.07813e-08 149.4598295 4.07813e-08 4.07813e-08 17919.49604 577.6086569 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 182.6211358 238.3475115 232.2687153 4.07813e-08 491.0787371 4.07813e-08 2727.600902 4486.585034 4222.378068 4.07813e-08 4.07813e-08 4.07813e-08 2-tetradecenal 29362.91161 34621.67911 29380.70196 34940.84672 31405.93089 25185.80373 33432.05825 26878.01364 24747.51269 19367.18916 18999.11288 20920.2161 19714.33839 23373.74593 19097.18966 24815.80007 17470.3742 23284.41813 18869.43655 21490.63092 17792.63507 20379.98077 18855.27004 18101.20534 19913.34622 25955.99357 19836.55224 18168.63857 19186.56651 23214.92663 23550.83503 18825.15435 19010.76522 19608.37575 29511.57799 23523.75033 22623.13199 17572.63538 19805.20664 19121.77121 17431.98593 19346.47554 20583.84306 22391.30259 21171.70573 26401.11499 21784.88052 20388.37266 20823.7258 21196.36778 16307.18046 24986.93849 23170.17327 24734.56449 Methyl farnesoate 27440.63432 27179.61638 26174.8254 24488.62774 25025.87989 23400.27893 22168.21919 25332.50207 24723.06251 17634.97329 18152.86347 16029.04119 16261.71623 16576.61062 14353.13063 22714.46634 14977.8323 18225.2678 17240.812 19897.72233 17202.20266 17324.59976 16322.80829 17718.41251 19448.83836 22517.01358 18674.64583 14742.5125 17644.57654 19201.71666 19970.71607 15902.00127 18515.07349 15862.56909 19315.17582 20285.38175 19684.40964 17454.21041 17766.22978 16782.33489 17158.189 17914.2333 19271.22975 21335.92878 20902.98567 20243.43154 19566.45343 18906.85454 21362.41508 19558.55702 15561.04795 19868.43881 20076.6555 24812.42235 Trans-petroselinic acid ethanolamide 148662.1317 143207.0291 148092.1998 148252.0296 142833.0311 128825.1961 132272.7408 128406.1428 134684.6761 111135.4751 106176.5454 91458.16225 100869.2109 117706.1829 81132.7654 132042.8067 91098.83584 106097.6836 93922.80235 99340.88288 94316.59214 101161.3961 97053.58649 97890.58504 106897.2709 119782.3732 109391.6183 87730.37143 99550.79829 117018.1554 116513.3313 99551.86443 93320.42432 82645.62933 111743.6888 123426.7346 118225.5733 104564.0569 106543.4752 94058.09785 87162.76712 97203.47174 105617.0485 124038.1467 110095.4828 123775.6427 113740.2471 111355.2929 115499.6741 109839.4897 85187.90772 109339.9234 122496.828 134419.3478 Neopellitorine A 291388.407 291985.5302 274989.1115 287019.3557 285189.028 247182.6571 269454.6627 255587.7881 265090.1541 188351.5161 180418.4069 178267.1662 188421.6342 197828.8969 165976.0881 222368.9767 171624.8191 199050.5507 193429.3345 202919.3748 190997.4522 201170.6211 192097.3128 198597.9194 210105.3521 234741.649 223832.7589 172643.764 195156.9171 223374.2952 226788.1609 197046.6867 188701.5662 166912.4723 203307.555 219034.726 235890.9585 209331.751 212930.1776 193113.3002 178897.1091 196436.0136 195385.8006 246019.8614 218399.5183 234665.4704 222768.3315 218346.7625 215414.9577 218088.8232 169311.4162 216145.2261 215713.3519 265628.883 3-Fluoroaniline 254.9666521 200.5670394 167.6066058 441.007279 261.0727307 213.4488241 223.0100944 4.07813e-08 77.18639461 60.67667308 37.61950912 55.72473203 84.73145706 169.7331017 217.1927379 4.07813e-08 58.09324121 4.07813e-08 99.09575219 62.46285267 82.73507228 176.4414763 119.5617873 316.7663211 4.07813e-08 59.86642999 82.56778564 34.65422173 308.438263 223.4664574 103.3690977 94.63970412 119.0431022 81.59139303 150.2745322 161.5981537 87.5735869 43.56551687 107.3048966 160.5570473 53.79982318 4.07813e-08 149.916302 157.6591925 254.6544209 142.2658846 360.8712243 140.0256564 89.91771836 90.71746901 40.67498629 167.88603 186.9272569 386.578358 5,8-Dihydroxy-3,4-dihydrocarbostyril 1892.029098 2004.108096 2513.322192 1885.166171 2282.674042 2607.140441 2599.164069 406.4057118 816.9084247 698.4273231 306.5474584 530.1545124 684.9945557 271.7617904 431.4180779 1137.691923 313.0444264 401.9264821 3430.74103 4888.606548 4987.426807 4592.667994 2723.111765 6806.164595 5432.648 4899.665072 8204.587244 282.4716266 520.9179286 560.17574 291.6933035 285.7016466 357.6873684 632.4665547 456.4584682 869.9787355 3851.520549 3761.27925 3885.488148 4506.71481 4484.822281 2923.125376 6795.49572 4975.704158 3156.67835 8864.766155 3240.316617 4346.589136 3583.995876 6192.149213 851.7667175 5752.970034 190.1628837 1918.786788 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one 1415.404506 1204.758492 1667.589523 1495.005874 2308.733885 2014.843807 4623.037453 902.2575352 897.3385945 927.5355992 492.2943749 2216.460982 567.8047871 964.916807 877.2146345 1130.438207 8320.051221 3361.672004 1573.136056 9009.301692 1205.791279 2500.518004 7775.0976 10352.18949 6593.462807 4046.212926 6899.384706 1550.93902 1545.923228 926.2838712 1098.283444 602.3596369 1164.7448 1129.287625 1960.178032 952.109524 1968.027914 5159.953533 1165.697504 2418.160031 3409.207246 4905.920127 9777.846012 3233.151975 4839.30924 7404.937881 2938.728071 849.2186655 1177.106532 750.8737259 1367.659866 1610.347909 1502.787237 7980.316399 Coniferylaldehyde 317.2593797 560.6662863 541.780557 421.8483586 307.0168922 475.3186345 290.7790783 446.1102822 323.1943676 2603.538087 2876.904565 2780.602931 2117.752605 3596.082699 2162.971389 1956.46329 3157.123217 6802.985841 526.5271386 267.1577669 395.1576394 673.3763165 415.1470668 391.4962135 313.7767419 568.1386418 294.6532828 966.818274 1939.382913 2634.579495 1711.329705 1790.541122 1994.08494 1995.390621 2070.223601 2780.524525 376.0563542 396.9245485 509.0804442 395.6094205 181.490283 207.2869723 335.0973949 672.7210733 614.2729118 473.1657895 492.2140476 158.0896613 308.9929182 326.9614181 1830.001493 386.6340709 1484.435216 240.7868587 Alanyl-Lysine 858.1662924 1172.580446 551.4164938 584.7254103 508.8625641 862.2660429 1072.155631 1079.935905 1078.532266 71.32134048 47.61686 36.54987773 115.7158273 4.07813e-08 48.25169084 105.4005746 4.07813e-08 4.07813e-08 655.0207283 779.8841034 1091.464375 678.2275466 947.3270267 1049.656349 784.6381916 1068.292924 1020.488593 76.98413749 58.48774081 4.07813e-08 71.5923631 239.7303045 53.38033047 287.5895772 4.07813e-08 4.07813e-08 405.0807777 725.9842664 1075.063457 1193.642958 592.1342631 826.8902155 669.1464499 1119.662145 1213.22202 448.1779866 592.5532489 489.2232517 694.0222828 861.9684829 269.8589091 506.584758 105.0622113 646.4938867 3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole 5687.472324 6386.263195 5361.003292 4993.067161 6337.510295 4696.128096 4700.081347 5636.081364 6076.768768 3902.237229 3403.073202 3648.942121 3582.275939 3143.768949 3447.009991 4484.088743 3851.603927 3634.434185 4663.961463 4047.133679 4252.622614 4130.206316 3617.019683 3764.960436 4841.565051 5526.118965 4937.094884 3184.443083 3941.308971 4059.88677 3999.402645 3596.394491 4390.612898 3522.357446 4388.851975 5008.421447 4787.465098 3915.624554 3686.916736 3605.624613 3444.539425 3679.968154 4044.857904 6140.657881 4320.764072 5103.513547 3895.713234 3993.395685 4933.302821 4594.746166 3584.474948 4900.188917 4616.890697 4941.495499 beta-Alanyl-L-lysine 1273.977434 1394.858944 530.1497291 968.696706 332.1240907 765.6295086 1157.908574 1437.259387 589.9012647 209.2304904 93.617213 107.1323717 226.342376 35.52401581 167.1102106 4.07813e-08 237.0707047 4.07813e-08 621.2469759 580.9029485 1380.710936 584.4402377 809.9182945 926.6786639 929.889521 1537.509433 1454.273753 4.07813e-08 115.9545691 4.07813e-08 210.4962014 125.7386893 35.86722376 186.4878633 124.3613465 4.07813e-08 577.5270042 884.5028524 1139.133238 1110.223149 643.174111 509.3777007 857.8381782 1417.118492 1192.924592 699.430887 855.8642849 641.5714762 886.8085057 1630.938817 60.76760338 342.9367819 139.5185214 486.3824232 2-(2-hydroxy-3,4-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)acetonitrile 22213.1592 31683.81493 16550.07237 15935.95177 17932.32603 21126.74227 28782.47341 23437.48015 34005.76832 79.12244791 78.41993406 30.58104797 309.3256477 81.71655765 80.22984605 6.311841914 100.5886694 83.83824805 7345.900604 5741.432713 15349.40971 7615.575718 16101.31587 12081.99531 15686.13379 10577.86221 25343.8339 71.58242854 12.93083037 116.5297497 71.82324328 15.40773269 5.643912394 60.28415135 21.33533635 45.80630429 4480.892856 21375.2223 16036.75477 29269.05759 10716.82543 14743.88724 14211.56022 10796.09575 6398.632372 7183.496465 14307.34567 7253.762403 10546.64027 26780.3401 78.65211259 16324.52255 2158.321529 11158.08254 Isobornyl isobutyrate 3301.84356 3320.523494 3111.240323 3352.311866 2994.908083 2487.444401 2686.413902 2964.45494 3294.897366 2181.55811 2252.511269 1787.458845 1989.019115 2182.88067 1520.04778 2949.200045 1955.83286 2407.782515 2189.361427 2366.362432 1805.816827 2098.378099 2303.928888 1956.511628 2625.526798 2731.616586 2305.002969 1764.256579 2207.894659 2584.155796 2341.867582 2138.950246 1982.881197 2018.388166 2416.207155 2222.809782 2585.040508 2302.266768 2614.141697 1868.80078 2355.861439 2204.302079 2229.323435 2712.2518 2519.033845 2436.119336 2364.73432 2205.925393 2876.475158 2396.383718 1724.94311 2365.964688 2634.039565 3068.359672 Rhexifoline 8763.855941 8526.271387 7501.238442 8219.194065 8606.182825 6135.733728 9511.733878 9334.560316 6953.122155 3430.883123 2600.994109 2497.860769 3238.808491 2252.109962 3390.445392 2075.01393 4862.997158 5834.477808 15472.43219 15872.2561 7672.724277 11957.80028 17102.03429 15677.93908 13412.95438 17325.02112 18465.04466 4043.101048 3457.168471 3379.699083 3078.866769 5532.189992 3217.461455 3812.811458 2741.273883 4184.609888 11349.00038 12358.59466 8507.480702 12505.42206 13343.14798 14455.64956 14879.69454 15945.13145 21191.72603 9860.884662 10636.48854 8921.403539 8353.819072 9483.592515 5240.668151 8463.860891 2388.564507 12779.39163 Sulfadimidine 11180.39349 15338.7576 19784.91182 36975.75286 42655.82472 18168.20952 9495.69545 5220.972486 7335.312279 5096.86766 8959.231302 13598.47487 5516.070012 10672.55907 1164.444498 4820.950073 2247.693719 3993.085286 13619.85867 11268.41409 14771.00491 14178.56108 13103.43381 11245.14383 9173.240202 8080.283561 7836.036789 799.6016928 2736.385785 18468.36966 2191.026452 3664.841037 4157.472445 2671.821007 6778.422331 14168.30975 10007.25073 7338.707233 10165.33388 10909.36893 15279.43863 13457.79849 10655.61427 8613.453554 7977.477276 19864.08426 13592.08577 13555.38208 8535.521272 14976.3717 4368.078255 12266.20073 4938.663801 18462.79654 5-Hydroxyprimaquine 10191.27608 31873.69333 4410.730141 6481.811786 3597.170907 12152.5188 26613.17932 32137.91405 11882.73428 15899.85124 12306.12243 7554.740621 15073.83908 6266.841952 11557.61752 3181.060535 7291.197433 15289.92272 870.3295886 881.5730555 11220.95703 1666.894452 503.2791169 1279.923444 551.698458 331.4232062 1440.164284 14491.86651 12234.06122 6228.011934 11170.47052 16724.50718 10300.59321 18921.04719 5065.078473 5638.523425 988.3804415 1881.477744 10973.07524 3868.975276 4784.336247 640.7253177 2412.951911 48.78992918 419.6498448 1538.670509 235.2081186 2935.201682 3782.146014 13194.35043 20573.5778 4783.414868 12722.32117 2235.061236 aminohippuric acid 108.2953241 159.6664859 260.5816967 385.4918151 1212.210328 54.23903968 4.07813e-08 58.59415371 1035.016834 463.2327844 4.07813e-08 766.7027493 248.3510839 1472.373585 4.07813e-08 4.07813e-08 4.07813e-08 233.1175192 6818.419768 3570.527565 195.7787758 169.5568731 335.7227238 276.0977986 653.1535626 134.2931051 319.283247 4.07813e-08 170.7175258 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 663.5316806 4.07813e-08 603.166553 47.99058011 322.5402797 186.0578901 323.9527702 109.5376099 69.50990012 140.8847173 44.99980966 68.25507148 470.5096376 704.2861387 256.0384371 187.7606994 340.0871011 4.07813e-08 341.7649382 365.1649183 457.2424365 (S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran 6778.262726 4416.978623 7048.287673 5321.953418 9945.002069 7706.206717 5106.538308 6627.813622 7352.763699 57.35192371 58.42171908 85.1929474 177.9730566 1.391292909 40.173807 4.07813e-08 0.29816038 53.85059478 16695.36062 10999.85969 12287.15417 12263.40373 13912.81303 8574.72002 13053.27762 13046.50035 13618.65942 87.58483765 56.25886181 112.2347787 0.115764605 0.527601676 268.3177476 89.46969142 0.319286758 100.5512667 8542.704212 7953.797374 8831.076676 15008.09476 11371.67909 15114.09466 7444.109743 16990.79755 7925.830595 9262.949096 6038.803397 9815.281977 9780.495423 6348.376779 234.7261161 10064.71046 289.8335558 6299.871953 Isobutylglycine 1548.891572 1321.183934 2641.392264 3622.912178 2417.288725 976.0030652 2127.201344 796.2464196 765.9637822 352.4602245 4.07813e-08 4.07813e-08 258.3588536 1.322652193 4.676951594 4.07813e-08 4.07813e-08 4.07813e-08 2311.781477 4594.249315 3220.86851 3650.443703 3589.839815 4099.050035 4723.186051 2754.038114 3127.568308 288.4401743 4.07813e-08 202.0108017 4.07813e-08 106.9492581 4.07813e-08 952.1609025 55.78160843 251.8268226 2134.726325 2461.051556 1572.811007 4166.647724 2345.680174 4000.379324 4072.08146 2892.0524 2040.376911 2220.832619 2580.716288 1033.151423 1193.48389 1627.024699 4.07813e-08 1131.418358 771.6521382 2026.812387 Lathosterol 204741.1844 186518.9934 160273.6651 152363.9181 134218.4892 98919.35996 96557.71759 221551.7277 211562.7134 113426.5557 103876.4174 91016.83172 84560.96448 80439.43432 58019.36015 183439.5953 125234.948 137757.0974 110654.6769 107107.4192 89207.4961 81827.46951 67215.80049 66786.62692 165508.1094 167314.4558 143901.5588 86106.97417 99012.19443 89009.43199 79804.98806 63128.13112 142176.279 114177.9138 136340.9531 135333.9432 114746.9306 85491.71882 81754.0518 66871.14099 136880.7484 135323.3884 136537.9982 151884.934 133440.3054 103043.734 88477.53124 77807.41085 171804.637 152221.5475 109782.099 145966.9853 141027.8501 144907.851 1-Nitrosonaphthalene 1570.293927 1811.487793 1402.581389 1121.718431 806.2668854 1277.409607 1310.449896 2223.672221 2221.321475 1622.110333 1205.344671 925.8733175 1326.550687 731.5571908 1167.010449 943.7625264 1279.109275 1329.353526 1052.055577 832.3102645 1085.064041 512.5448373 386.506529 298.8845311 1915.356033 1228.912261 835.2294359 2055.569066 1402.444321 1098.298856 1526.232614 1316.185695 1511.302785 2002.532652 1226.805699 656.5102438 2289.006882 891.2109166 1371.087152 816.7705276 557.2534561 1081.85581 596.1985762 2139.807287 626.3970677 1515.552738 1055.656614 1296.733841 1112.720732 1714.465045 1268.759481 1172.510918 1262.212849 1220.951718 3-Hydroxymelatonin 555.076298 2137.653703 742.3914091 440.7171328 1392.978892 930.7540704 1670.665543 2305.828602 671.3502971 4888.802536 1488.771549 5510.779918 6140.129894 5504.412748 5062.511477 451.9891026 2216.734551 11261.74184 3143.144026 3085.793332 2405.808991 2186.278266 2841.124445 2980.325538 2560.702623 2772.015103 2828.908069 4335.339193 5947.159351 4488.082831 3604.14606 3774.819 1482.738853 5216.095206 2173.678989 3330.32268 1377.690716 1853.413495 1252.94666 2609.888516 2370.993057 2526.506758 2433.653721 3057.068315 3544.342735 2094.964505 1148.393993 1548.188205 2308.425643 2046.838546 7449.567679 1575.511306 130.9086109 2158.122163 L-threo-3-Phenylserine 327.0397136 379.1628665 684.5172004 540.5595351 462.318898 1174.142854 883.5934817 477.035496 472.8823393 251.0682409 37.29209102 168.1503299 4.07813e-08 108.6799083 67.69355693 4.07813e-08 55.79017273 4.07813e-08 1229.108578 1304.688905 1160.724129 771.0199792 1393.817841 792.1048902 826.7619649 2025.554769 1729.787705 134.8874561 171.3810363 4.07813e-08 190.8237357 224.2594635 151.4168479 160.1057599 50.41159785 139.0109176 456.6572825 1118.283423 682.9032035 795.9119385 1094.890908 1281.151009 796.9539242 2135.405668 1120.084755 1275.186302 979.5403177 1071.952139 954.6279432 777.4239155 177.4331499 1258.387195 65.56921012 934.5234797 Prilocaine 1728.105422 715.1707631 3026.997406 1316.027472 2032.536367 273.4182751 1477.674063 1941.964413 1688.522665 48.96296285 34.1513667 55.41314094 61.847131 70.63974244 61.94598477 65.90381846 60.71145766 78.08291413 5853.396309 3228.327829 4723.556918 3320.259889 3017.547819 3192.340322 3723.699926 4602.129715 5221.744296 4.07813e-08 73.06964027 67.03101085 69.04427779 39.52121198 16.42127763 28.8394158 80.56597728 105.1540241 2589.2581 3207.94078 3344.324684 4915.148469 3600.756386 4336.223319 3777.552871 6635.923743 2375.578141 4217.689795 2508.965368 4381.030961 2683.50568 2131.083756 47.46184418 3515.378744 58.18404932 2914.756151 Bufuralol 744.4741847 1276.59527 4.07813e-08 406.3628183 99.31509824 164.7721541 223.8202148 98.78942827 243.3996531 4258.4629 4495.18015 3598.81264 3637.702135 2955.226796 3341.718726 2291.095564 2058.326825 1648.175913 72.53777999 4.07813e-08 2036.182472 4.07813e-08 4.07813e-08 0.093713038 4.07813e-08 4.07813e-08 4.07813e-08 1801.505206 2077.142925 3762.578637 2005.331496 3653.058787 2432.75662 2414.158892 2033.839646 2627.136853 594.833824 100.0065992 1866.878207 65.17358643 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 126.5838205 4.07813e-08 4.07813e-08 88.07924435 269.6430472 596.9655751 3125.951072 152.4466318 2152.101203 4.07813e-08 Isodesmosine 1400.688693 20.17937372 909.8749371 1755.280117 4376.299673 716.4192888 249.9663341 1032.524603 4942.162251 17734.03149 28688.05139 40333.55767 16452.48814 28487.54427 15405.17049 27611.57626 12203.70947 29069.29675 343.5054711 4.07813e-08 322.3873583 4.07813e-08 294.4090028 4.07813e-08 220.2433362 4.07813e-08 4.07813e-08 8772.06311 17873.46102 45541.32564 10911.2953 13524.81255 36503.97439 16450.93236 13626.87333 26837.66904 4.07813e-08 4.07813e-08 332.2705445 230.3856422 4.07813e-08 4.07813e-08 429.431994 4.07813e-08 226.4624603 2179.682334 2327.381864 858.0499665 691.8786931 569.4198189 27090.03468 1421.316563 11795.45081 1838.088262 Radicinin 5978.927454 6886.753356 6944.600298 9646.835292 9710.444265 7258.614794 10816.45297 6485.504315 4192.039894 1633.12341 2461.435945 4298.016475 1769.081374 3346.864062 1635.977277 1670.373971 2222.543766 1470.965464 7603.763621 10908.02145 6211.806785 7870.358747 16455.51643 17940.31473 12030.24 7827.079995 9695.037671 1893.853003 2729.408295 4125.145258 2067.754569 3092.35272 2406.843476 2428.456017 2491.831986 2730.056205 8084.924842 8992.018323 5550.434745 7837.029428 7902.852464 10964.23585 16189.64586 8007.646547 8972.752879 10731.18832 9009.877297 6727.142837 5231.590953 4208.20734 3016.458745 5810.937897 2390.022668 13498.80032 2-Pyridylacetylglycine 4.07813e-08 4.07813e-08 4.07813e-08 123.4963678 187.6042132 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.76417578 149.5309599 108.2233674 100.2723035 50.13791241 4.07813e-08 4.07813e-08 4.07813e-08 178.0859493 655.3790782 549.7785155 552.3105973 519.4650865 398.3756177 521.583035 178.6070553 724.2627479 799.3394886 97.11599089 54.53294655 95.44482788 92.9284399 4.07813e-08 195.538862 170.7694254 46.65588731 60.63835783 4.07813e-08 375.0098073 387.6657703 620.5301256 582.781808 405.8784861 683.6863928 896.6860249 784.0327819 624.6793749 241.5940468 399.9753958 229.4436765 141.0645025 257.3433364 227.42626 4.07813e-08 421.0299159 2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- 4140.085265 4602.477448 6831.55149 5539.025507 7077.490471 6668.669605 6484.332158 3258.107331 4206.116481 417.2921719 672.6461294 414.630286 552.415656 1121.876963 738.111233 345.9427541 589.4093009 26.21286654 6807.07733 6043.465744 7302.68537 5565.964823 7523.165431 9030.613327 8206.199353 9919.904349 10102.87152 4.07813e-08 866.2118582 1103.889721 365.3335652 855.3427239 765.4612315 351.1237138 448.3977471 940.5472596 4265.069913 6688.187913 7294.046015 7932.1749 6908.549019 7768.957621 9129.797094 9771.609072 10802.47181 13364.67814 10694.64023 6512.669158 5538.763637 4896.996332 545.5728896 5045.843385 189.7350144 7702.400572 Glabrin D 4.07813e-08 4.07813e-08 493.8849978 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 625.859322 9029.194385 11027.24011 11744.54457 11270.5924 13712.50553 9311.095183 3738.292934 16961.43564 52843.38722 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9662.61753 9350.36663 10288.88086 6691.288842 11663.95871 5998.877137 11330.69677 11604.9051 60069.6813 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 958.5731978 12248.89457 4.07813e-08 6491.630956 4.07813e-08 Glutaminylphenylalanine 4578.129277 3758.933769 4736.493182 4811.578234 5681.44629 5331.326178 6554.902747 8511.427939 5391.281563 3138.11388 4138.660909 4525.686454 3599.682737 3226.222737 3327.578479 3052.853665 3012.819837 5271.181945 8876.452933 8176.728294 6681.863212 5920.339369 8111.965407 9929.055029 8448.786189 9599.652488 9888.047554 4929.450234 3999.534439 5300.45169 4543.641714 7512.600919 4254.059789 6015.68031 1578.982012 4765.24396 7948.347003 8218.871948 7063.240021 7652.391913 7133.820219 7225.177272 7335.125367 10115.98053 11916.24546 6236.387503 5143.139906 5224.502588 6177.618004 8857.532753 6697.542455 6076.620723 5032.582202 6717.735238 N-Feruloylglycyl-L-phenylalanine 955.2285542 2560.462813 3.2153362 1508.153729 292.1518969 879.8263711 1006.518673 468.0336134 2671.460773 3439.401664 2212.307978 1121.376334 6022.423515 1364.109345 708.5897725 43.73904896 117.1937644 2.961215416 4.07813e-08 2.613221171 1385.752147 310.7593106 4.07813e-08 295.5318188 726.2995175 4.07813e-08 368.8317353 2949.674716 4.07813e-08 72.69884147 157.4433545 138.3762012 1489.499222 462.0588822 149.3189569 27.416437 2.900025759 148.0365374 197.9153623 1.655009759 247.3074689 4.07813e-08 4.07813e-08 4.07813e-08 441.6349851 3.415957779 1073.123073 586.7205317 1493.870729 13606.94375 343.8843604 819.1350497 17945.7564 581.2078944 5-[3-methoxy-4-(sulfooxy)phenyl]pentanoic acid 58280.86503 34733.85012 42724.6621 39771.61329 35962.17407 27291.79369 27742.6397 36998.89685 26668.50923 3346.799819 2472.763 1709.750978 2231.552245 1932.787171 2125.162325 2886.293924 3637.942947 4378.174551 44261.66883 39015.76316 40023.65606 41782.94823 32278.63653 20659.33925 55664.47374 69369.58501 34176.44171 2654.050255 3397.959045 4347.697872 3768.661596 5362.29093 5739.586649 3474.868007 2748.411102 3387.348458 41591.57482 32915.41642 35079.00496 27222.75326 54494.07546 47370.55167 28021.87724 54715.68052 67411.1747 17616.54276 20699.14044 23603.50553 40232.36042 30724.94259 5276.922978 27056.37451 2698.945439 28357.30058 PG(14:1(9Z)/0:0) 4.07813e-08 991.1857524 205.5923771 457.8799854 256.8230584 357.8892378 4.07813e-08 727.6192026 941.277737 14730.47125 11452.51191 27360.20261 15514.48837 13628.07872 3783.191652 439.568852 2783.183828 4062.59078 590.1498741 189.4733284 206.4548801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 148.6035883 4.07813e-08 9172.626079 1996.377628 1349.379511 1597.906281 3498.006444 4715.931318 834.6772824 428.0516886 2682.409483 4.07813e-08 4.07813e-08 435.8391668 111.9465871 55.28171906 218.090099 12.6534522 4.07813e-08 4.07813e-08 128.069517 315.132266 307.1664853 226.7894083 530.0798946 6896.48798 168.2818141 29044.10088 16.71306266 Sinapine 25456.31463 17861.13465 24201.39312 21789.41292 31922.81682 23914.25008 28063.71352 21278.50466 18249.87997 1495.239767 1830.155296 3246.597727 4844.922292 1948.615051 3728.386258 3143.186825 1432.778105 3493.868432 37178.22674 56930.79984 20900.64758 37571.5569 61740.55121 62523.43991 53504.43075 49601.20007 57224.12498 3189.369646 1687.966473 1626.273707 2768.828018 3237.184452 3705.878069 2342.595655 1894.096884 2932.466945 25025.97168 38568.28408 11537.1211 32987.00039 41835.91727 52746.88165 60657.8003 48512.76416 54652.63484 44150.1935 32068.5481 26305.51705 21593.14133 12978.64617 1634.865001 22153.9704 1483.04656 48037.29377 bk-DMBDB 2581.80565 3175.988977 4038.682505 4347.991805 4405.579419 3845.357983 4321.769271 2436.283714 2102.959378 181.1168177 153.3488235 83.96784141 4.07813e-08 524.2420407 144.8171568 136.0123478 220.1699102 4.07813e-08 5820.131478 7994.629587 4902.513198 5478.518594 7492.295045 8340.068667 7069.811201 8233.126192 9624.367192 383.5584313 326.7304476 500.8454716 95.82385896 1062.739681 608.791972 279.5716619 4.07813e-08 252.4368258 4217.611059 4808.49995 3702.025977 5725.939473 6311.977687 6710.079979 7066.470883 6664.687381 10351.75525 8116.38541 6627.03591 4693.865611 3366.313035 2452.123947 629.5720056 3552.710661 362.41155 6410.830686 Casimiroedine 6216.459071 13404.57636 2377.926918 5936.065662 2449.23301 4010.182434 5346.893062 12584.61961 16248.27267 1124.956597 3423.062655 5864.838176 1813.881174 2237.852931 2264.59499 2030.268467 1755.880119 1292.072328 208.7218618 163.1297428 2772.015311 1789.021148 514.6268552 591.5612005 427.1960416 1830.360283 1196.921837 2115.22988 2847.205705 1702.757157 589.5028093 1902.294751 3232.852812 1436.761088 1733.456404 825.7048214 1752.67058 2044.556453 1435.234946 1875.40435 325.181383 2316.224593 553.1574171 1371.424094 1303.698388 244.1070169 7382.330783 1335.014607 3835.476974 47234.17712 2049.202224 3013.651895 3537.897523 2513.811456 Creatinol-O-Phosphate 1017.171645 768.5407575 1387.889014 1232.917488 1658.525612 932.720859 663.5973413 638.8681424 602.4341466 4.07813e-08 229.6671251 4.07813e-08 78.66572484 276.9256419 4.07813e-08 168.0895854 136.591901 4.07813e-08 1825.30153 1576.350448 1790.580863 1600.284434 2076.854846 2240.81567 1730.440734 2756.93689 2828.036062 156.4097909 4.07813e-08 136.8233451 70.25374004 290.3175111 59.9711851 217.9767766 144.5042346 171.4899549 1324.229636 1708.416082 1265.634891 1950.851672 1724.51682 1693.245081 1940.131854 3171.478915 2401.527871 1798.465128 718.5759743 1605.300353 1608.566454 822.7455661 148.7347067 1774.958067 208.4988826 1417.68885 Methylthiobenzoylglycine 6440.301211 5299.946557 5248.414533 3274.34716 3895.435177 5639.331174 3640.102829 6769.273378 5010.140819 4.07813e-08 4.07813e-08 72.2770725 4.07813e-08 62.857523 4.07813e-08 4.07813e-08 4.07813e-08 196.7804186 5630.423021 6120.25245 5238.139473 4918.007398 5172.343495 5911.419277 4775.513331 8030.564471 6934.546178 668.8868939 4.07813e-08 265.3666579 4.07813e-08 439.781867 4.07813e-08 94.57982746 404.2283037 4.07813e-08 3416.63911 4514.538072 4592.738247 4837.033591 5941.062108 5082.336927 5007.226197 8193.9458 6515.864595 4190.508127 3133.562354 4738.09931 3959.045729 3379.734256 396.0650531 4407.831775 4.07813e-08 4817.303708 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid 5737.794127 10910.21605 2897.067947 5755.640318 3916.475837 4825.783599 6844.055054 15704.14102 26119.28553 12402.56154 11197.47317 12917.8024 13335.49764 8169.969248 8655.550827 5249.590571 13252.20919 11028.87747 1044.150763 299.5215622 753.5964912 510.4925087 174.1931211 436.4365802 1013.490871 4.07813e-08 4.07813e-08 11706.02348 9756.136549 14034.86603 10792.60085 11402.4647 8089.291605 8715.958765 7351.255118 8594.549212 1172.008744 1701.353147 2826.512315 357.1778148 979.2779976 205.2112526 11.16872015 275.1347857 694.254234 864.1404389 6416.684422 3475.327787 8061.524028 11476.13276 10906.97391 3463.954018 11917.79379 2050.085225 1-(m-Methoxycinnamoyl)pyrrolidine 3021.883888 1539.18547 3612.694645 3511.225164 4314.247506 3126.8334 2265.227447 2312.793175 1461.335813 4.07813e-08 4.07813e-08 140.7113828 4.07813e-08 66.51011016 4.07813e-08 81.13942325 4.07813e-08 4.07813e-08 6941.739912 5665.455651 3940.898343 4834.679912 6059.911702 5210.684613 5245.062033 7703.386306 6009.986074 0.062686001 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80.2229668 4402.02817 5703.637765 3313.436203 5090.714117 5937.778256 5136.063411 5379.299974 6730.517619 10515.02218 3957.236456 3337.734653 3261.227373 3060.417264 1903.087504 151.6678218 3158.101106 4.07813e-08 4163.59121 2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose 5840.067994 9241.513774 3704.682912 7495.237712 2538.865533 3438.109275 7110.994339 7227.822415 6043.717604 1585.364539 12673.64413 2505.426546 1074.214841 9312.941531 9479.886642 43457.69427 28562.75183 2304.829056 1470.961375 1875.780962 4741.248652 818.1569814 822.5375207 957.7005602 2582.005017 998.3887498 2035.932522 3138.821128 2319.637425 8054.478757 2405.57272 20314.05434 7618.747834 4543.870271 3031.340216 3324.33268 3341.416071 3836.372442 2540.258226 4120.102804 1006.564627 1504.458939 1484.381331 986.7916005 1675.656938 1033.541836 3301.996767 1272.640934 4686.810451 8608.774908 1592.958278 561.66127 1361.059974 1241.627437 RETUSOQUINONE 917.9359114 1166.896359 1297.041249 1211.720641 1139.533656 846.9477101 1029.794367 796.6107709 1054.664447 411.2780644 285.1976204 109.0459421 202.8381631 212.3780506 224.6367301 273.8999674 113.7820386 220.4573101 1352.663505 1744.884336 1465.110165 1356.602159 1133.07122 1597.360333 1938.000149 1479.803195 1563.680855 150.1848815 217.1719226 435.0303608 296.7211081 265.5263583 256.8878745 132.6585092 240.6051211 237.9938846 1168.310844 1457.586908 1341.124964 1324.409832 1597.702035 1333.154253 1297.464718 1640.865349 2161.984942 1847.584509 1443.299549 1496.607268 1115.989675 1010.372155 343.963892 1216.765139 288.8786563 1761.023263 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside 6714.822975 7709.74174 5734.544556 3453.501923 514.7822001 2114.804906 6559.744254 3242.705157 6990.165187 9139.254165 9850.893792 22295.76009 8410.545943 4585.84361 60048.65821 24583.33293 28027.97506 15866.67144 1451.794046 1953.457223 1030.862326 799.9531556 1734.873367 1141.643865 621.6027959 960.8683878 1124.221152 60988.03452 20593.10701 2484.928596 20455.2387 2573.077966 7717.167735 27572.81445 39997.22745 13810.6694 3159.654163 2109.366353 1880.851275 1380.389144 1216.908278 1125.936224 426.4163231 885.629457 918.5983416 728.7686612 4360.0852 1466.163752 5190.247083 12617.93177 7358.365565 2159.311112 6033.90936 445.2788163 Isopentenyladenine 5778.800088 3504.420433 6615.865747 7497.338286 6936.39973 8216.862273 6700.98953 8340.937762 6423.174483 2583.79123 3379.048581 3675.691043 2049.884312 2603.072741 3668.558149 5373.980187 6691.447544 2179.1947 5463.989816 5292.018946 4224.362926 3886.249688 5873.292931 4120.643242 4434.922939 5621.484964 10775.04101 5331.798839 3811.87455 7202.213138 3614.080754 6392.693688 2432.713365 3733.279545 5815.193998 4331.415541 3556.759617 5510.114943 5990.020038 3957.629374 6188.232816 4111.78911 5505.908311 6368.091164 2840.794948 7050.2737 4419.167157 5721.202322 5604.851669 3297.928346 5629.943621 4848.783169 6421.338733 6670.599633 CAY10499 4.07813e-08 240.5884676 4.07813e-08 4.07813e-08 4.07813e-08 107.6186634 16.421735 189.8916139 138.597346 1644.016344 76400.12496 785.1009936 1123.893485 245.3630067 4587.620238 227939.7635 103065.0395 142.0506491 4.07813e-08 4.07813e-08 33.62717995 4.07813e-08 233.4481414 5.366668061 7.624990593 4.07813e-08 4.07813e-08 63022.20721 547.9357721 44311.17685 250.8832566 76267.77707 74446.52333 771.8163357 49812.73772 4147.652447 446.5665972 4.07813e-08 4.07813e-08 0.929008581 100.2580291 12.83871868 4.07813e-08 13.61431343 4.07813e-08 4.07813e-08 4.07813e-08 7.215830087 4.07813e-08 248.6924831 1866.305648 4.07813e-08 9031.443964 4.07813e-08 E,E-Dienestrol-2,3-oxide 4382.760699 2753.369385 4461.340915 3660.30535 5153.689323 4351.371577 5541.055958 2636.229826 2177.645342 239.3677283 110.131898 4.07813e-08 4.07813e-08 371.968403 364.7718581 4.07813e-08 392.1927726 273.9352995 8119.841478 9183.923556 6810.774072 7450.127619 11876.13083 10577.18396 7831.491773 9583.113381 9795.033694 6308.649074 77.29943659 4.07813e-08 1696.147691 4.07813e-08 221.129182 102.6376533 2599.162572 406.1279066 5540.532751 8217.209287 4348.607216 7760.015301 9326.532122 9111.268979 10357.87335 10094.88975 13254.25474 8280.557775 6946.722448 5356.244653 3678.687961 1177.021349 337.4125231 4791.317043 319.9319221 8851.126183 2-Methyl-3'-hydroxyphenylpropionic acid 2460.565584 1193.365632 2238.00185 2210.565427 1848.449922 1941.258075 2712.967701 2106.299118 2104.911179 1853.705507 726.0752807 1627.375592 1678.296178 1581.854281 1385.6808 1253.799803 1093.379027 5629.16303 1435.290064 1561.380503 1778.791302 1843.819508 1611.694053 1606.039273 2381.805283 1992.449981 1337.852312 764.7237866 3678.684111 1529.848036 2598.241549 1464.360375 1485.705639 1756.306818 1281.499541 3389.828866 2076.427641 1789.683452 1705.795772 1111.12593 1523.156244 1600.689577 1887.755012 1953.422031 2136.265442 2408.744929 2004.219745 3689.737465 2882.0494 1631.495922 1876.762224 2034.502716 1219.521032 2847.329284 Tropolone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 599.8716057 608.0143624 660.7500058 582.1769582 655.9085196 592.8538537 419.6185438 597.762045 177.2150018 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 622.2360184 405.0946096 720.5524092 391.2224467 829.7996767 863.5007031 811.7376202 580.5069697 630.9800454 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 798.0325372 4.07813e-08 690.8586715 4.07813e-08 coumarin-SAHA 914.6445643 768.3255364 604.6302693 624.9424517 1147.832574 202.0342471 950.6079381 196.4063693 219.1482223 6727.289158 6070.347445 6101.942987 5641.823329 12752.6414 3572.807439 9683.498888 12697.1912 3094.635537 887.6021091 822.5325558 1326.557379 1374.159881 1632.75125 2324.983417 1048.910408 1985.319837 1474.807928 4131.893108 3825.586969 9624.50818 3494.987195 9226.240661 4977.90953 3763.168425 8066.18094 11865.75356 455.4553828 613.9586753 754.9161142 801.8445098 1216.083696 1079.923168 1589.57859 984.8150924 1631.912558 2101.520631 937.5075551 1297.265461 299.8956899 344.2617781 4880.857213 998.7321259 2781.334675 1378.613683 FENBUTYRAMIDE 4174.227347 579.3379791 1983.394513 2175.782478 1028.707265 2156.206163 3338.403566 3435.729878 2123.772536 4.07813e-08 4.07813e-08 47.75002544 48.39142147 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2220.228899 4.07813e-08 4.07813e-08 190.5660216 1174.926702 4.07813e-08 4.07813e-08 385.9779859 95.02930191 71.13329261 4.07813e-08 426.842538 4.07813e-08 120.3677189 4.07813e-08 4.07813e-08 43.48701218 4.07813e-08 4.07813e-08 2132.691508 660.7947106 1271.975951 348.5076285 374.9996743 281.62194 162.674514 315.2001453 4.07813e-08 158.966773 1004.218231 2347.241746 3582.919699 3665.37914 76.33511208 2250.211234 4.07813e-08 1701.743447 mLPA(O-18:0) 733.778004 644.2458331 282.3425761 4.07813e-08 479.6099828 795.4666373 1557.839507 124.8690725 595.930096 6045.661082 4908.661596 1410.636871 5363.378884 4.07813e-08 2000.989157 233.0223872 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 209.9460573 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 673.4340971 2552.075087 226.5338798 4.07813e-08 762.8382952 1499.148203 3073.732759 479.9523267 4.07813e-08 4.07813e-08 4.07813e-08 818.496947 219.3349493 4.07813e-08 4.07813e-08 70.11483868 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 186.3785196 551.0817019 2591.263801 1555.892062 4.07813e-08 2790.256753 4.07813e-08 D-NMAPPD 17126.17228 31662.53527 11548.35805 17974.3308 8159.576169 13626.45852 23643.58352 36335.87196 57589.76379 50719.74848 64477.12472 27619.51199 44427.53296 56797.19764 47981.54897 64686.50021 95040.78433 61396.15151 1915.779079 7771.95301 9545.969958 3811.889953 5534.915083 4713.937298 4121.156634 5075.193785 6000.507456 20239.50945 65271.31153 45794.81023 43640.37135 68043.23333 65646.85363 65222.62377 37090.43289 79857.8116 4815.494248 4280.241196 10617.95163 6718.830695 3496.714233 2664.003197 5854.125991 4318.133765 5864.232302 3802.623916 22286.10997 11705.88169 17217.67192 40798.29934 38424.37804 10774.00825 15247.84874 9192.727456 2-(4-Methylphenyl)propanal 1756.592699 1052.371942 1622.715758 1634.744879 2019.194059 1618.628492 1718.468306 1642.447485 1159.63584 113.9645255 59.72990917 101.4405582 56.23477028 159.6523911 201.4241728 76.38884303 166.0654441 207.3053296 2308.987648 2406.984228 2206.337003 2104.343577 2364.113059 2255.04743 2336.444014 2610.46102 2296.363643 140.1033969 228.3665853 197.8219537 168.2248306 418.8694273 396.5177496 215.6765859 181.2659915 210.3861309 1867.155911 1914.295777 1863.02648 1953.479519 2182.495726 2382.511541 2034.916883 2260.686396 2794.1549 1954.29368 1529.772491 1973.90046 1705.492809 1666.274167 468.9286038 1837.87953 518.9393451 1941.290589 Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate 3201.00542 1967.665391 2570.24452 2387.282543 3229.924163 2328.560866 2866.213368 2279.366123 1627.418386 403.8278091 297.5494175 262.6744957 309.3832477 54.60177579 51.16430736 251.7935147 1071.92353 248.301226 4832.118882 4710.825066 693.1553396 2832.020264 1682.917446 3269.426402 5244.204077 4400.088019 5251.04668 285.7875041 470.6918211 325.1651332 185.653574 486.2479176 1145.158275 310.5109427 490.3164003 154.5694907 3659.733214 3081.919173 1619.662126 2066.610122 2401.41316 3326.579987 2778.320252 4692.956851 3848.581835 3780.320834 4166.879142 2603.844685 1400.080888 877.6729153 577.3498446 2458.014207 543.6550643 4695.618364 Polystyrene sulfonate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2074.674098 2603.537128 2677.029398 2114.881477 3315.20967 1559.854785 2002.0489 1236.990709 2790.665325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81.54064103 295.7371566 1764.577844 2306.776822 1167.840185 2077.766175 1062.939454 696.1589866 829.4964024 1608.563825 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1223.556237 4.07813e-08 1820.693722 4.07813e-08 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside 4.07813e-08 373.7617484 481.6737344 4.07813e-08 4.07813e-08 4.07813e-08 371.4957025 4.07813e-08 4.07813e-08 4033.168543 4354.242262 2862.62548 5933.935344 2669.993034 2208.706655 1964.410689 2629.213599 3932.210005 4.07813e-08 4.07813e-08 895.6251894 380.9382411 4.07813e-08 4.07813e-08 3.683675308 362.8301531 4.07813e-08 4278.973595 2579.322331 2167.07133 2396.677282 2948.272672 978.0324619 1637.398817 1896.437081 2872.426327 4.07813e-08 4.07813e-08 2085.79939 203.3979886 177.7314653 4.07813e-08 4.07813e-08 4.07813e-08 1.886301847 134.6958383 4.07813e-08 220.0099567 411.1166823 588.804203 4842.051144 4.07813e-08 3492.98621 4.07813e-08 Gentioflavine 1731.306083 1306.83695 2148.168039 1815.367469 2570.26486 2046.285517 2479.501799 1787.020923 1415.420607 367.5623788 528.3147504 702.6871653 422.8650202 482.1477238 307.3336157 804.8787042 324.8539322 904.8177292 1540.357517 2965.719797 1219.943516 1584.189458 4451.104341 4393.02408 2695.048938 2019.222033 2541.858556 487.2324331 299.6926986 843.4058517 204.8338956 575.358328 491.3589859 529.8357781 362.7813841 452.2586751 1994.341652 2101.76895 1244.368695 1526.281011 1840.155225 3025.077984 4713.203108 1377.497604 2603.733072 3107.112908 2456.394738 1539.995149 1134.058431 1275.781315 309.7225435 1313.430547 378.4165063 3535.901814 N-(3-Oxododecanoyl)homoserine lactone 1141.347238 3550.599892 847.1731864 1591.015205 773.0245557 629.6503968 298.8999288 739.0061189 709.2597162 3957.591545 3777.533811 2700.225928 4122.23348 5516.244162 1398.706873 1785.552803 3727.168711 1739.81339 551.481177 4.07813e-08 995.1139905 4.07813e-08 4.07813e-08 101.3051011 4.07813e-08 4.07813e-08 4.07813e-08 851.802638 3049.806101 3347.376073 1206.623712 3670.033869 3221.327547 709.7357142 1457.646253 2278.504421 794.1410739 274.5001399 670.1998398 4.07813e-08 159.339533 580.8305441 4.07813e-08 154.4464661 200.3165093 4.07813e-08 90.90662234 389.8382029 729.3825021 1585.310227 2302.793362 444.3525159 2355.183223 247.1305128 Caracurine V 15096.60486 151499.2336 1066.830188 17455.89462 452.1447317 21223.88989 11645.45205 17389.52036 40110.50415 12368.75509 7795.369226 14833.51827 21504.92028 51288.63089 9174.492971 4956.155282 17407.53086 6472.89203 4.07813e-08 4.07813e-08 798.7827501 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 394.3185048 43580.28926 7999.929903 3696.953227 6741.486635 8017.315388 10574.34958 7350.739889 27272.72132 7512.83167 4.07813e-08 4.07813e-08 1122.369537 363.0995621 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80102.25532 24765.45384 133496.2866 534332.1777 11617.7128 21730.481 27810.51736 73284.17898 13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 1245.079519 819.2546037 1526.855087 1841.994167 1183.624152 1144.893529 835.9556425 216.7178519 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3284.811262 1602.973818 2851.566581 2824.57029 3050.711171 2113.468774 2555.932285 2732.359038 2735.672736 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2668.279062 1710.314484 1453.869548 2799.153593 3191.736184 2727.944793 1733.479642 2425.203234 2972.990457 1124.657207 970.0110775 1832.354537 1632.214198 504.2676486 4.07813e-08 1509.128053 4.07813e-08 1022.039677 Diacetylfusarochromanone 10123.03238 28862.00369 7207.533653 12702.69087 8149.450767 6572.517339 17506.38908 18484.42015 23643.44838 14911.19518 13501.04973 8735.48473 17921.39025 3122.243283 7793.549526 11914.97934 12644.79936 9788.539457 1087.901895 2151.381015 6297.165026 1652.346982 2843.969867 1916.8745 3058.15664 5131.610083 5468.371699 11157.10294 11428.98669 6366.087607 8888.073366 6252.665468 4669.579905 12969.42488 12048.1663 9574.968307 3034.437067 3751.791352 5228.592272 4709.265643 912.9509264 3425.084955 1098.132134 2293.192706 3475.617195 2781.31064 7605.651107 4966.62202 14552.35151 31789.27513 6293.078828 7281.391939 10189.94382 4430.826744 Ethyl 2Z,4E-decadienoic acid 614.9347689 585.0483327 715.7485833 355.0322847 725.6736232 513.1666535 497.3694928 381.1320664 286.3071249 206.9783212 151.2235009 224.7629792 4.07813e-08 201.7199143 144.4766742 561.527492 183.047017 97.10780517 2377.290204 1732.260814 1991.703914 1477.33375 2627.627065 2183.021333 2350.991129 3715.093593 3277.941397 110.221337 4.07813e-08 56.58413562 326.9574649 4.07813e-08 157.976191 4.07813e-08 562.4837898 50.8316883 1607.980688 1116.166351 1680.500701 1962.351531 1959.782224 2377.174105 2127.036056 3333.463391 1515.783795 2292.351369 1203.058128 1580.902868 1711.478117 1382.042763 4.07813e-08 2383.028201 325.1479617 1648.496301 3,4,5-trihydroxy-6-({2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8828.852625 21643.48127 5878.56422 2952.443536 24606.11628 3262.38249 17344.89448 4779.400432 14780.57125 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10090.36751 12820.17859 1676.953743 6967.01809 2094.533692 4.07813e-08 2003.335985 4235.223225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2504.50334 4.07813e-08 4486.271166 4.07813e-08 Peonidin 3-galactoside-5-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45783.40377 30088.84172 10098.45445 29257.86671 6216.163745 52686.36748 1892.419891 51412.91397 40994.04766 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10469.5022 54523.54663 7759.378769 34661.91014 46203.527 21304.91325 23113.76347 33801.13553 14618.06209 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 620.0816322 4.07813e-08 4.07813e-08 32047.39656 4.07813e-08 39375.18113 4.07813e-08 1-Phenyl-1-pentanone 497.3885472 421.5482635 649.1293469 613.9973305 1078.523146 929.9576953 1097.500507 901.267984 1082.76618 4.07813e-08 39.45795321 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 101.0626042 4.07813e-08 1329.655477 967.2511119 1343.450999 1287.082686 994.4660468 1102.550201 1063.472168 1007.527736 1208.597515 8.194213023 4.07813e-08 4.07813e-08 4.07813e-08 0.425940872 4.07813e-08 49.86144373 59.32323249 0.100671059 821.5269816 794.3801113 1027.309345 757.9375167 1292.231854 1194.94249 799.1859448 1364.39671 1717.993358 1219.731185 457.8368809 953.5950888 563.7922525 372.605756 147.4206361 718.5898207 497.1691572 630.4712712 N,N,O-Tridesmethyltramadol 615.3034342 166.2649069 807.2652104 659.8094759 855.9918689 744.8839804 821.2731278 4.07813e-08 4.07813e-08 99.83707857 4.07813e-08 4.07813e-08 4.07813e-08 98.38432748 4.07813e-08 99.17092906 4.07813e-08 4.07813e-08 1328.739751 1502.176373 1463.77273 902.6674196 1709.4066 1123.850855 1131.185847 1059.15004 1232.115723 171.6756038 4.07813e-08 4.07813e-08 4.07813e-08 117.0501746 148.8671406 186.3040705 4.07813e-08 161.138064 887.7522402 1111.638775 889.3516865 1329.688288 1269.247078 1231.49016 860.8523889 1473.222623 1431.35761 873.1867153 761.1659722 810.0104483 665.5699926 483.7319316 133.2102435 636.2278648 95.53416037 704.8866919 (4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone 9467.147887 6409.293999 6330.895004 7654.906156 5093.979254 5423.761206 7898.66378 5093.517171 6167.391525 3062.244631 3101.162305 2626.819164 2668.282594 3045.239329 2854.958252 5567.070882 3875.558284 3615.040859 6244.449988 3839.680812 4733.601902 3912.009701 4113.624566 4117.890857 4868.420316 4916.284746 4301.21744 2437.125219 2734.978052 3145.539983 2537.917525 3021.698745 3309.885415 3662.750634 3426.826952 3601.935831 5207.151147 3701.313362 4410.193521 3165.357602 4210.11401 4666.811917 4458.694788 5403.503022 3913.451916 4583.769 3548.927573 4493.453082 4396.006284 4380.195902 2499.177743 5058.806983 3840.05911 5819.086172 Succinylcholine 4.07813e-08 790.1867611 2936.687444 3833.003593 4535.951343 1852.764919 1837.566191 4.07813e-08 169.3648317 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 77.56471138 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1419.014789 3017.875669 509.7479316 2004.318711 2970.584452 3969.086249 3119.136323 2151.70648 6492.791963 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 112.2402448 4.07813e-08 4.07813e-08 4.07813e-08 1701.422056 2603.803182 1182.054926 2426.733912 2829.671138 2591.814911 2998.133283 2337.677118 3971.75584 4620.0382 2472.829845 1593.926657 2174.464185 4.07813e-08 4.07813e-08 2324.516551 76.51689763 3425.219785 1-Naphthylmethanol glucuronide 1379.255078 127.8849637 4.07813e-08 4.07813e-08 4.07813e-08 1112.102934 4.07813e-08 4.07813e-08 4.07813e-08 12492.1681 12586.98462 5218.771852 8632.372433 15069.5863 9152.741503 6974.853735 18870.7842 8661.861833 1718.034072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1552.447387 4.07813e-08 4.07813e-08 126.6867469 5091.592404 6886.582202 7778.617295 3737.28854 5626.241276 14550.91917 3645.266145 9155.611904 8444.898487 1493.050827 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1874.817069 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7449.260922 4.07813e-08 2875.842176 908.2394581 trans-Zeatin-O-glucoside riboside 4.07813e-08 4.07813e-08 4.07813e-08 179.9616845 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8388.537759 13975.55135 12794.02837 9185.598027 8152.046839 12139.25603 10720.92087 51325.31116 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5804.442975 10059.04552 18032.30665 7696.048031 20437.21757 11150.54324 11994.49564 10450.53063 4.07813e-08 167.3912741 1.351912298 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 192.3267897 4.07813e-08 214.0035541 4.07813e-08 22868.68907 4.07813e-08 5773.162692 4.07813e-08 HMB-Val-Ser-Leu-VE 3493.870507 4570.976718 2178.163369 1382.773452 2729.451806 3194.081103 4315.374105 2051.402445 2511.313728 2312.590725 2405.720004 2336.127763 1681.479716 5260.516743 3979.20253 1318.508735 10367.85649 512.8774284 6057.712242 6074.353964 5565.596023 5342.863074 6326.39093 5764.389812 5898.63491 5457.697595 5858.618734 18780.68494 1166.26767 4757.928892 492.1653375 2563.35563 11431.01535 1184.827281 10339.18608 5694.649401 3084.77525 5371.401394 3329.899306 5717.407047 3727.735696 5874.364486 5215.710084 5860.497216 6898.268845 4994.556666 3053.717493 3736.578764 3805.476503 3092.611508 2021.200923 4955.165448 1548.523915 4778.226135 2-Hydroxylauroylcarnitine 7204.197481 6755.608138 5799.866712 4767.88189 4609.320277 4972.870279 5912.280431 6436.836137 5461.918772 4374.953889 4058.176159 2413.034484 3857.251271 2893.033224 4187.352397 956.2737818 4735.840741 3227.55825 10341.89647 9986.519379 8775.885892 7741.029431 11081.65793 10189.34709 10547.62892 13214.44391 10908.44228 4184.088344 3863.925434 4292.318936 4034.506689 5853.676097 3516.621364 4046.822908 2626.947317 2950.370293 10111.42673 10417.0124 10281.9231 11643.38588 6722.919059 10166.85461 10242.65556 10031.86836 10659.55208 5404.055493 5602.491322 7921.231185 7580.33469 6829.235039 5796.496057 7354.973924 3852.939262 5558.144888 N-linolenoyl-glutamine 2867.937808 4144.980945 8334.717931 12098.83908 9887.564335 6510.701835 6485.312999 4289.281657 3448.143776 2383.524453 3697.738035 6594.855477 1383.723871 8062.91162 5621.343644 2130.380736 537.3835424 2037.003937 29643.26023 22618.40219 16382.59669 22295.93905 18991.81285 21449.32998 15185.37047 24675.20398 16223.59753 4203.722086 10937.84568 9371.413941 9027.971156 14063.40732 7552.241058 9787.796398 5332.056572 7195.041881 16064.28396 20168.81414 15293.96324 14187.49522 20915.93635 17598.69751 14872.13763 18669.76755 24139.90948 14777.15526 17072.2125 16774.36661 13523.68445 14547.87905 14377.57949 16317.13584 12486.29374 11702.77915 3,5-Dicarbethoxy-1,4-dihydrocollidine 107.8254765 3491.791755 409.0326039 2345.720272 212.4139508 185.7525674 97.14203219 1522.444437 381.4171424 11569.15172 10532.2836 14745.59896 11833.44937 8393.530558 6727.056416 8831.825679 5369.22001 6555.648848 470.3883084 279.2100389 349.3041637 766.1161159 384.1758331 996.7725627 181.2282641 1689.604044 256.7617343 7765.112028 8404.785438 8929.156046 7146.956872 9835.857377 9560.596007 10798.86704 7889.824358 6968.521067 6027.467116 700.6889838 516.4130817 356.2626213 398.600331 744.1991569 757.6180582 813.4471715 616.5315189 1189.066109 655.198853 695.5693174 505.188946 3507.601782 9348.323106 921.5777673 9110.046801 682.3438501 xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole 10636.28437 7609.870578 9925.319585 10214.72052 12765.40075 11694.58414 11430.44302 8003.756398 8890.622068 3662.811532 2869.34633 2822.230306 3520.136148 3855.926212 3072.926372 3170.195079 2860.831596 3531.531501 17143.70587 17042.08117 13970.40029 15639.69128 17244.15343 18101.68572 16636.26203 15441.46778 14443.42736 2408.134076 3101.389598 3645.21649 2397.417663 3735.096277 3047.333023 3097.454258 1816.827253 3574.746719 12822.068 13704.70037 12907.4616 13772.84729 15859.19611 16664.02557 18276.81501 15787.35501 17190.43407 18991.24033 12797.0466 14693.18275 13823.19222 12784.50944 6986.019166 14037.50553 4392.509204 13255.93792 8-keto palmitic acid 2702.617 1520.937301 2564.863813 3394.548282 3512.73867 2216.55464 2144.286888 4923.574138 3279.58554 279.5776371 327.678696 382.3517735 282.4782274 202.3880328 132.037267 196.2273286 488.6439209 486.8341131 3401.338047 3550.53977 2874.454886 3609.856384 4249.552051 3655.880611 2958.190306 3240.255698 2958.794814 60.15440681 197.1277634 375.6626055 282.1112868 550.035764 228.0374476 155.5069216 455.792885 444.3686055 3419.872978 3844.593709 3163.585022 4472.431223 2924.979662 3549.464492 3317.610762 3223.615087 2575.182174 2378.001535 2280.248717 3033.010712 2459.191662 2121.558596 242.6477818 2582.142057 297.7385463 2870.228943 Isoeugenyl acetate 1182.241408 678.0665193 1020.762483 603.1944957 1331.25431 1477.933701 1557.729597 1132.678244 902.124039 50.06537343 87.70944837 73.27210539 4.07813e-08 78.25272978 27.33551417 237.0055682 4.07813e-08 64.1881356 3018.057496 2825.376928 1125.376808 2222.123616 1972.114867 2625.037897 2154.386416 2108.572024 2378.019492 143.5526706 154.814727 213.293695 99.73280004 116.9844962 159.4038703 112.7253136 39.83101394 4.07813e-08 1584.126673 2281.493399 1276.753008 2248.310348 1549.62618 2125.020337 3363.690432 2164.479243 2498.491248 2777.020266 1836.609449 2085.216638 1253.630194 278.8060058 84.70914376 1894.094111 264.32167 2136.082792 PROGLUMIDE 2300.295562 623.5399089 1453.976736 926.2235522 1884.874934 1694.416764 1660.374194 1265.58841 919.0786849 203.2779468 76.36237277 84.79008691 703.751082 2.883337501 416.1018906 512.8756742 65.39748331 168.397734 700.2241001 1873.227728 978.6284203 1135.427361 2804.259801 2793.086935 1681.761649 873.9817822 1315.334304 4.07813e-08 249.1816168 2.443462338 172.726329 522.476851 88.99701909 2.748206059 4.07813e-08 184.1693228 1085.363673 1132.124021 681.0154786 904.8866093 562.4820085 1446.424392 1913.806341 943.3208037 1318.363239 1848.560055 1349.289282 729.5003453 1.958827908 589.5020304 208.3928622 674.1662857 172.8899441 1603.234803 (+)-2,5-epi Goniothalesdiol 627.5057268 3170.088128 691.029616 1808.684575 1484.357147 1181.730647 2466.102401 3311.959089 1267.466998 1134.084172 301.475983 878.6579899 1101.497872 3397.542459 2297.627334 989.6446898 221.7632204 1789.907435 784.9703412 1359.596027 1121.013482 1375.029082 1021.60009 1557.397109 1122.869915 929.5197316 1132.630787 320.3030482 419.5798535 1126.706319 2613.399933 1043.57236 1951.640399 560.5863151 1315.261266 4588.009438 877.3105338 714.8002854 856.365218 1247.319238 951.6901508 1450.720728 1016.418818 748.2723415 1250.039328 726.4418888 1326.826125 970.2757848 1635.127342 1692.868089 555.078514 2473.728617 791.6614544 1852.451004 Indoramin 7382.101955 6028.207726 186.8466396 899.5835404 154.6704607 2830.445777 2161.676268 4.07813e-08 4172.678667 114.5128433 264.7855551 466.2239284 298.2173054 104.1742112 503.1742888 4.07813e-08 597.1691969 6.476356209 15.77728219 100.4217075 5.310145394 47.02856013 7.58746622 10.14807174 2.714013086 1.772238193 34.98726439 482.1578946 225.1489253 730.2469017 115.4450911 452.8204117 766.8183204 124.5365347 176.6355383 4.07813e-08 6915.600351 40.37314092 4.07813e-08 25.83604815 23.50299395 23.62510878 13.4920818 62.44829429 29.42051364 4.07813e-08 933.940753 992.0171322 11268.38157 4847.740279 1352.029798 3207.434222 718.583366 1.228627683 Boc-Pro-DVal(NMe)-Val-OMe 1608.039656 5495.02928 2954.975478 4222.471437 4752.443564 4212.608936 2884.434238 2001.515223 1809.835643 6188.508113 7392.09115 13894.01826 5972.776247 17071.90884 9180.003022 7998.99202 6255.70833 5764.10471 9542.279503 4947.871897 4998.890684 4585.360626 6489.35467 5554.397094 4911.329996 5150.22355 7077.737364 6900.285202 10439.34775 18794.36982 7664.670267 19121.78075 14920.81437 6854.923285 9257.08866 13789.32552 10556.17127 4549.353891 5918.233356 5048.956336 5746.884295 5895.054947 3967.524626 5210.653157 8972.789827 4687.053417 2399.327874 4292.297641 4170.211475 2485.431234 14058.55039 6574.277815 14545.34153 4128.681527 6,9,12,15-hexadecatetraenoic acid 1608.236466 535.0996435 1073.715226 1228.495014 1423.100649 1504.146953 1401.854306 713.8432729 927.9991201 507.0430474 1023.873028 109.5348539 280.2010209 457.0856912 421.9753201 2373.938695 5117.483773 247.9843877 935.2046786 1649.17591 1544.154466 1235.069245 1686.052557 1596.69646 1473.732986 1521.035009 636.0746163 1659.181076 330.972434 4954.988023 365.3455397 4546.833067 1155.365804 200.6725783 2990.751209 2867.441748 1333.864351 1087.192112 928.7293326 1222.206777 1278.734436 1387.887693 1379.015006 1370.603731 1654.849903 1207.15845 883.3552162 1166.783769 541.7865165 996.6782059 480.9907795 932.592887 1485.364149 1663.348906 Leu-leu-tyr 10938.03198 13505.96412 4254.608591 34519.50773 25281.94329 5687.798554 10703.69093 5807.365179 14553.59226 23290.87401 24567.69791 33458.03689 25958.44125 30920.88325 19310.16154 18389.37741 39144.18802 16062.81508 17943.52748 6437.018232 38202.91714 32160.73025 14516.79806 5284.738225 9282.124815 15256.0751 7009.363945 35488.48915 23396.04273 43957.40943 18852.75865 32946.75961 24112.33047 23370.62838 30348.99035 28586.17906 37238.52973 9882.384901 42352.05365 5000.327346 24303.48795 28466.05457 4441.104627 14335.9521 16450.11302 3579.611123 6586.781881 7148.783183 4053.064215 12469.99412 35032.64788 16791.59673 24382.12206 8202.186803 Citrusinine I 6067.45182 4304.497932 1735.077811 2536.923571 1268.954638 4057.048554 7172.070538 5659.305264 2936.215357 6765.355305 2804.173492 1686.591251 4954.819634 1615.867496 4570.736549 1671.312015 4.07813e-08 3514.62113 143.8184516 732.5708373 127.7658771 3253.64084 1254.444905 1063.253863 1876.287701 1736.388874 252.133716 4.07813e-08 2451.430177 1573.085341 2760.121783 6535.439892 2237.875627 2449.293833 715.4817171 1191.447231 3832.818424 1510.852543 180.3776492 224.3131763 869.4820014 484.2165891 1158.728631 1218.652805 2845.268375 708.8548414 829.6386898 1032.853581 2005.421018 912.7015865 3772.13419 1306.905188 969.129649 2317.325185 5-(4-hydroxyphenyl)pentanoic acid 22029.58741 10276.45027 17598.97247 17811.60553 18907.51323 17369.21985 15852.38849 23752.21878 13486.09838 830.9402995 697.1255187 569.8635448 898.9091496 333.034625 429.0152153 603.1374757 219.6312501 343.5525558 18399.06542 19694.27781 11428.85142 11322.41303 9562.803983 19740.52515 11447.27682 13887.09478 10469.16131 286.5448585 850.5304642 1154.037042 741.7361963 1064.036554 953.6249525 972.7467389 1108.875985 862.2755947 14083.37679 17391.0405 10528.11089 15602.46715 20267.60064 16127.51021 27106.43619 16450.51727 10743.73999 46155.34135 12165.81526 17022.7146 14049.16041 8772.464031 1110.911542 15338.05613 1029.810993 34706.32257 PHOHA-PE 4.07813e-08 327.183064 4.07813e-08 455.60397 239.5470065 4.07813e-08 4.07813e-08 196.672503 4.07813e-08 328.1273683 12274.83046 5827.551015 326.3436697 3705.319261 2532.563988 48390.88067 285644.3263 4.07813e-08 225.2768239 4.07813e-08 4.07813e-08 484.0701879 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 164733.5226 2314.836922 1464.717924 744.9312369 1846.038041 7607.029604 3480.433677 190554.9649 1655.551865 234.8539287 4.07813e-08 4.07813e-08 204.2016894 245.0895909 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 148.5533556 242.235304 584.4471715 418.4064242 1746.427232 4.07813e-08 3473.49133 4.07813e-08 2-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4-dihydroxyphenyl]-2-hydroxyacetic acid 10563.64785 6335.862238 6445.75215 8378.407494 12270.12413 12071.95507 12692.11482 6509.095762 9012.994145 1277.41396 1479.495385 2866.779142 865.8775562 269.3915675 564.2923182 597.9078115 483.5118279 1202.039041 16618.02666 19427.47961 15351.171 17498.7994 22306.31511 22301.60178 16986.12748 12140.0736 13751.60476 251.3243118 1588.819853 4625.587555 937.8209289 3638.042333 3622.616302 1293.645959 4.07813e-08 3336.370454 13266.92934 16711.22933 11783.13085 14676.83914 16566.51911 23083.81113 18688.62057 13079.4729 16681.55528 19243.9605 14244.17186 17176.31018 10064.96078 9200.67167 3077.224523 14790.0756 2252.458579 12459.95259 CAY10598 3342.813441 5800.5384 4963.152681 7996.681833 4962.372097 3916.995222 4191.857264 3553.78762 1457.128685 5802.987618 8765.727983 9268.320725 5922.570186 5614.95585 3378.921282 2263.057276 4.07813e-08 2124.482463 4699.696839 5093.289479 3123.66648 3564.806546 3934.965807 4426.557259 4301.552933 2233.520204 3949.855749 4.07813e-08 4598.193436 3038.736413 2643.724959 4562.377505 5954.6044 3719.927556 4.07813e-08 1147.288448 4626.821676 3906.620677 4354.676946 3903.048048 4655.764412 3877.694501 3737.281254 2331.704326 3949.671625 2994.911075 2541.51334 2909.61819 2921.391908 2450.548496 3434.112225 3378.164276 5347.734902 3503.228488 AG-490 3122.410765 2609.588699 3518.164393 3122.580507 3562.333616 3421.755214 3019.999262 4434.936916 4135.101343 1467.544067 2070.272895 4.07813e-08 1705.555343 4.07813e-08 417.8844063 428.9859377 4.07813e-08 1704.248866 4813.197982 4587.13873 4222.801522 4490.576352 5976.565707 5099.017227 4517.451676 6162.72531 4423.805672 699.7460438 1967.844367 2103.082039 1522.620235 2725.74285 1473.999572 1444.779522 856.9667592 1429.194042 2996.39876 4002.900926 3492.841451 3681.984281 4773.500494 4088.41052 3994.780467 4765.461191 6517.59807 3658.455669 2256.91381 3293.679973 2779.917445 2395.834298 1970.563481 3538.418145 1875.296494 3507.298933 Oxalic acid dibutyl ester 1964.086917 1279.153567 1594.133491 1991.5009 2229.211336 2413.919492 2294.371726 1548.469632 1235.031523 4.07813e-08 4.07813e-08 4.07813e-08 49.4162685 4.07813e-08 4.07813e-08 4.07813e-08 46.90595448 4.07813e-08 1741.773071 2108.285794 2229.1749 1538.473229 2337.774427 1915.448121 1960.730198 2118.289329 2310.962033 4.07813e-08 37.74618042 38.65609533 4.07813e-08 4.07813e-08 4.07813e-08 38.8549649 4.07813e-08 4.07813e-08 1186.026942 2095.916509 1540.810293 1738.77941 2125.924813 1875.435281 2014.3621 1862.170621 1783.483086 1881.577022 1210.79842 1767.860884 962.3781927 810.871882 4.07813e-08 1222.577738 4.07813e-08 1548.418521 Ethyl 3-phenylpropanoate 5214.244912 3299.852219 5350.632345 4832.3638 3662.734104 8904.215782 8694.38154 3531.596533 3990.449188 2932.903999 1478.615921 882.6910208 2199.390437 374.7252103 2199.19387 1289.665736 358.1397958 1438.587825 3588.244331 3179.830678 3541.660532 4530.746139 4374.552504 4336.142754 4383.612252 4169.695208 3850.974984 418.7395337 2495.195077 2440.215439 3914.841776 1989.775367 2277.444903 3931.546489 1010.618545 3595.195903 7347.88722 5455.913742 6042.058303 4644.33933 4086.301861 5339.578981 4066.406142 4531.989456 3631.505323 4047.927772 4203.531678 6577.635764 5427.42237 5188.062429 2941.1339 4143.55046 3508.37646 5313.553116 Sphingofungin E 7861.711321 19826.04324 4220.643852 13613.71688 8344.236213 5910.814047 6729.099903 7400.192398 4953.084876 40860.69756 51609.18187 41001.54784 41649.87855 38059.81688 36758.54452 26651.96585 21971.64317 15129.01488 5656.111096 3049.844749 5242.818773 9021.439692 5726.481062 5208.236828 6238.69407 2408.137249 4698.208961 23524.23505 37364.12731 64119.07115 33924.22529 58224.52971 51290.53718 38451.59058 31197.76856 51442.32763 24431.34391 2588.890252 4762.300236 4667.896099 5346.60291 5803.671357 3372.469979 4712.342702 6640.83531 3987.029362 3716.159985 3427.848451 5799.31785 9880.680434 47733.01942 6378.741513 45475.06928 5966.679924 1-Naphthol 780.0004936 749.4482644 683.7119428 161.9986169 599.6144973 33.11136409 268.2159245 577.2216237 1712.782731 21.05570706 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 185.9244401 331.215543 233.5461322 270.4671554 339.0877423 115.8578364 394.507266 73.82358374 275.5719656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24.09055731 4.07813e-08 517.3149634 621.4227361 384.5871345 255.7393009 254.9340429 304.8661359 267.8849356 145.5122729 32.76481205 406.7827123 578.3964984 251.6864238 417.4219673 515.5215283 4.07813e-08 301.5113331 31.73463397 360.9141192 Pilosine 504.9065127 1755.884672 681.2797449 2395.276327 1722.706333 747.3636327 379.6851072 1489.03298 478.2369938 2366.483524 2955.819453 3815.993289 3337.351272 4273.920378 1824.383226 1705.019443 2581.530649 2631.065505 841.6106019 417.8930174 89.16751565 571.6387802 167.1377946 217.6989972 405.0445111 1174.80285 180.3990121 1908.265366 2583.552928 4107.959934 2138.02731 4541.666352 3316.181273 2352.825958 2150.307616 2936.85964 3980.17907 4.07813e-08 238.2441538 148.5531994 256.3363828 275.5690661 361.0496893 887.8757847 1583.916958 266.9302635 145.0455461 59.02060702 201.7220362 397.7059314 3631.629304 505.5524866 2944.613633 209.7049305 Melicopicine 690.7388682 356.765038 117.5252526 175.9925601 58.28581397 235.2861941 696.2136711 770.6982173 528.2737252 5904.021938 10255.01638 2915.511034 5158.715866 7513.557503 856.1911669 7956.101046 6719.701238 4916.472241 161.0462184 272.2253487 71.85953876 701.517408 217.6826446 417.2082069 344.2365873 338.8822858 536.2839359 225.6427034 2025.390192 6054.762847 902.5670709 7210.45302 716.3772248 1003.293058 375.6789599 2821.220467 219.4913163 257.9627624 47.3770487 132.9887551 102.3013978 117.3423696 797.1689514 120.2365988 484.7961774 129.1732652 238.4519081 63.74556132 173.4658086 145.0086674 2042.40794 68.74257961 1729.14146 225.1776139 C17 Sphinganine-1-phosphate 2841.160529 2788.970723 2813.993428 2764.498181 4379.421096 2790.039551 2293.475656 3025.118178 2511.681431 4087.709581 3865.719422 4131.495371 4974.518015 3648.515163 1419.705463 724.4969163 2385.632197 2885.212075 4451.803411 4474.986119 4441.454811 5009.968521 5616.288199 4755.17263 4803.623235 4522.104627 4909.121267 1419.869554 5457.502841 4311.23391 2512.844437 7508.766848 3246.852699 1925.502539 1762.102999 2864.584388 5049.446855 4143.420491 4414.144393 5388.187711 4039.353858 4025.727731 4247.999814 4908.363308 8531.012603 2197.239835 2672.739219 2778.013569 2035.166914 2373.344166 6374.860984 2344.209116 3967.120053 2120.047758 Conchosin A 6284.782046 4347.581868 4951.535592 5236.490318 6467.379552 6679.322549 4045.139598 7239.118745 9004.059538 492.8917799 786.4223793 23.15429155 155.569824 241.8844425 4.07813e-08 164.8589226 49.0708421 4029.048661 1607.139336 1773.190617 2531.197033 3584.928275 1664.317679 1743.488637 1676.919788 1437.946114 972.1016046 76.20188735 672.698888 275.5709772 872.3095915 1175.74049 109.5743206 264.7354109 52.26443557 2646.632793 5460.25342 3114.106933 3444.797341 2110.425486 2530.921221 2945.19164 2072.435087 1971.282679 635.4481545 3019.212052 4953.190385 5101.314002 8015.045439 6706.53591 1374.347591 5196.910636 721.5372238 6217.789749 Desacetylcolchicine 6756.206831 3418.777682 5604.664548 4611.059127 7469.306959 10862.47108 7863.048897 4500.965029 2719.874031 143.0275651 170.1488179 4.07813e-08 4.07813e-08 259.5424191 334.5283142 4.07813e-08 4.07813e-08 4.07813e-08 4612.530638 7782.083578 4791.464731 8115.87997 10084.65444 11753.19816 7768.540145 6618.766877 6817.361049 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 94.56660526 4.07813e-08 4.07813e-08 4.07813e-08 92.6255178 3696.590662 8900.205906 4216.842818 5829.375871 6616.620296 6497.922191 8274.549393 3694.684957 11894.67755 7116.315791 2376.628435 4165.360596 3775.344843 1786.357767 126.9326947 3538.707913 4.07813e-08 6959.775331 Carvyl acetate 2118.992663 1408.860158 1731.360567 1134.75374 1224.618759 1930.938627 1595.611576 1437.207393 1217.913872 595.2141139 510.0267196 533.113185 432.3019464 446.0704899 384.5432088 798.0276459 450.4071091 557.1614485 1294.642897 1152.7115 1201.8202 1075.75436 1450.419211 1376.973265 1294.04943 1366.892511 1259.796598 500.4257491 534.2197419 511.5065388 305.9765854 649.5475952 542.0473053 570.7394132 683.4558999 664.9370385 1818.504236 1452.254739 1833.757885 1202.052931 1261.401558 1418.310446 1757.60062 1322.616112 1106.982402 994.2261117 1428.767495 1677.330484 1622.28404 1438.425177 693.325692 1159.716474 743.2702968 2082.908102 Esmolol 126.7974017 3395.313205 1296.790129 4037.69813 360.7475355 159.917284 4.07813e-08 1065.400487 386.2207622 7344.087232 5926.156706 7136.212755 8044.40085 6035.198039 3221.49732 3878.881904 3379.806024 2886.825791 0.002046311 86.68259993 1665.045789 1292.89404 189.4189983 195.2394602 0.085152835 4.07813e-08 76.93932271 3363.433841 5963.941238 4473.755375 2959.319251 4876.263356 4729.651263 5286.865014 2885.942099 2519.995549 4278.401887 470.4503639 2388.502998 149.2170117 744.5184798 188.0328301 134.4707507 0.385720879 88.56372786 88.35534866 4.07813e-08 4.07813e-08 776.6471058 2505.631365 5133.059067 104.6005298 4458.109602 126.5392234 Dihydroechinofuran 2548.291379 745.9617297 1266.579356 322.0616022 373.7997475 434.5159121 1849.185732 79.7800043 3469.740466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3310.053423 2690.234329 1749.681288 2496.448798 3025.880932 2063.444179 3304.905568 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.876556092 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3065.464351 3455.573317 3116.739788 1498.196195 2171.494258 4886.006575 1566.940368 4.07813e-08 166.1138544 1955.110257 2481.80202 4402.31442 1655.513179 1449.584154 4.07813e-08 4132.047855 90.89054993 214.1040146 Convolvine 0.655486924 172.1721037 0.068454218 4.07813e-08 4.07813e-08 4.07813e-08 116.4175058 99.82893953 4.07813e-08 2012.102801 2741.738234 3097.527836 2455.974892 2271.167947 1352.123582 3316.402481 4.07813e-08 3245.707848 4.07813e-08 4.07813e-08 4.07813e-08 0.001719302 0.222111841 4.07813e-08 4.07813e-08 4.07813e-08 78.14496954 5591.309537 4187.172936 3259.725987 2250.246956 7737.362799 4040.736021 2071.360268 4615.020946 2927.878359 119.1548363 4.07813e-08 85.8830628 0.003505649 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.001599916 4.07813e-08 168.0363006 10042.87315 4.07813e-08 2015.101388 4.07813e-08 TXA2 24756.36693 18357.2775 24328.84442 28687.94011 30771.68895 27758.60119 24163.75263 19415.27949 18566.00018 5866.508224 9053.041675 5398.456285 5496.058438 5861.987269 5587.14053 14796.88871 8311.351298 8599.754095 43893.33602 34493.64253 34373.33294 32910.865 46258.22099 46695.98499 33545.05116 32867.64367 34015.32211 3077.178826 4130.54377 9513.590445 3216.578663 5943.256214 6096.17661 4603.128728 8290.166839 3904.731887 22627.20161 33343.48512 28546.64907 34341.39088 39425.21533 39547.10686 41621.80737 33710.34037 41221.88093 29346.8577 24678.39396 30769.29275 22269.85818 18777.95162 5482.86072 28694.14902 5496.996829 25682.40781 Himbacine 4446.116344 1357.564093 3845.623404 308.3149205 360.7201664 1114.653926 3010.475174 3603.098865 5106.903127 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6141.342453 5810.962442 5208.79783 3775.563763 3134.442073 6351.31368 7621.221647 7030.299171 9728.139916 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.2665307 4.07813e-08 4.07813e-08 3032.381454 6698.862043 4217.917116 7119.47517 4080.162899 4834.484059 5565.946657 10296.39343 2151.67977 7651.002081 5050.144424 7754.426339 7395.602689 2808.824884 124.2994041 5998.553503 4.07813e-08 6638.265166 11-HpODE 30785.7747 24765.05925 30255.7109 28293.29747 28306.37562 27242.54392 24625.65547 23922.50823 25075.53116 10596.50015 15855.53928 12860.68235 10549.651 11792.02437 14639.49564 45672.61797 45801.45748 12548.95775 45543.25643 41975.29446 37554.88957 39223.06093 47304.30519 49777.77682 42489.77547 31475.36864 31996.67889 18209.34987 11950.73144 14072.11994 9073.062335 12754.37954 14368.57235 12180.33926 28450.90736 9786.926509 30796.93866 39300.66118 34680.72429 33504.15873 40623.42806 45342.13989 45524.4188 34747.20145 46106.82551 32108.43436 27379.84745 35116.52765 29179.41447 24475.56266 13183.19517 33527.6616 13853.49812 27932.65621 Hydroxybuprenorphine 21.92768074 89.48634189 49.29650387 166.0915126 68.8207311 279.6713552 470.372358 4.07813e-08 5808.234328 257.3948984 193.3224984 25807.67718 4.07813e-08 36698.70497 7181.042462 16461.52577 730.6867318 4465.603079 13.91544801 428.0876423 294.6139758 661.7271218 330.1955699 415.3894402 404.1847943 583.0537626 728.1568669 972.2651747 64.53821892 49.93009627 1111.86115 132.9669561 4.07813e-08 793.8774132 7656.778971 145.483686 24.55801617 340.1208365 269.7952794 712.526613 1018.835201 180.873621 342.4844299 290.9012499 1084.170892 774.4704413 342.820694 205.583192 230.6519168 357.4873753 2708.434782 220.0537382 72.61664465 185.2243303 (R)-2-Acetoxy-p-mentha-1,8-diene 1973.853697 2401.243751 1657.691822 2005.241246 2074.851307 2229.016644 2436.945233 1644.75278 1884.962438 1566.125569 1031.25137 830.9837248 1331.48169 928.820251 880.9680971 1309.555372 1457.158445 860.7983318 2037.031556 1630.698088 1647.806216 2030.33591 1893.879545 1839.535839 1751.83821 2059.132057 2257.671396 939.6412193 783.2910578 881.010988 715.5789677 827.8520533 823.5205907 881.3698115 809.0156241 954.7163753 2350.462407 2228.446637 2038.016844 1782.416238 2194.269458 1818.125138 1945.304088 1825.633583 2056.554654 2061.805253 2176.648029 1525.193948 1468.682675 1448.733114 760.8851329 2282.958935 1130.142997 2030.067998 1,3,8-Naphthalenertriol 1925.800701 1812.494185 1477.049097 1675.476936 2268.216136 816.3567716 1774.242227 1593.336434 1966.774771 1968.269751 1061.284544 960.9473845 1219.086725 1368.401063 828.7631722 1492.055527 757.0940979 687.268611 538.411133 941.9752668 523.3289906 1306.420198 713.2162701 339.0469833 284.1393482 739.0153073 592.4973849 353.4148711 310.52277 1227.421568 352.6574529 625.07793 1407.193473 722.982168 1506.18797 2071.91323 583.8879345 413.9537476 222.407573 324.6452272 782.6031789 610.1095858 418.9028424 562.4018896 1057.689574 439.0495837 164.5811403 811.9166872 274.1673845 211.5579826 880.5401099 523.4737095 1088.61856 701.8502518 2-(1-Pyrrolidinyl)-3-pentanone 632.1502626 484.8034495 480.0433281 586.9641782 772.2645048 376.6854116 347.5916204 336.1195755 249.6279826 397.248037 208.2465837 508.6331104 323.1942473 386.2267858 377.2478786 444.2969671 312.551157 362.7806427 429.4271145 376.3103038 388.0222241 152.4316449 393.6779328 417.6317094 448.8889832 327.8107222 328.8544721 404.1271169 393.2041055 407.7056457 647.9782738 387.8346061 307.3723659 342.9672219 618.8580394 373.7430949 580.1511422 375.905535 482.9279725 447.3558568 343.552502 333.7268448 520.8725495 622.5728433 331.4149247 606.9398556 391.0512769 443.1491125 485.3141611 359.8413675 247.3800752 381.6366467 439.5199776 650.677435 10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one 10384.74973 4455.456204 3583.25739 4628.174388 2326.522912 16399.80683 23274.68289 8946.813434 8401.691983 4.07813e-08 37.13890792 4.07813e-08 84.15746317 4.07813e-08 4.07813e-08 4.07813e-08 106.4961902 50.85341162 3100.910828 3397.208912 3072.354961 7432.454311 6177.912613 8847.496092 4151.15339 3663.265271 2442.033753 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 48.23083306 71.55262086 9929.350259 4981.894816 5297.069355 4594.09203 6214.39901 4385.561734 10255.04512 3407.817712 1526.53684 3085.139136 5365.204673 8886.405362 6352.978144 6539.839468 1022.404115 4923.268841 195.5413932 12543.02184 9-Carboxymethoxymethylguanine 2628.217871 3355.024875 2735.053773 2572.896229 2940.266178 2898.289088 1866.637876 2080.426538 2454.391418 2122.523934 1947.37574 1877.298753 2453.387763 2170.361233 1810.743774 3132.91606 1604.629312 1784.592305 1750.873454 2250.951718 1805.925053 1428.511842 1591.501667 1787.134954 2226.328217 2530.126206 1715.840492 1846.816018 2461.513602 2389.043692 3076.496928 2160.560003 2011.434711 2233.568803 1758.215673 2373.085733 1901.81182 1628.797424 1906.567736 1752.090274 1420.123647 1712.573543 1711.440862 2685.298553 1534.862597 2416.597922 2359.286165 2057.741472 1972.726536 2249.170833 1781.280324 1867.347258 2515.114929 2146.480915 P1,P4-Bis(5'-adenosyl) tetraphosphate (AppppA) 7959.861165 31860.9415 75202.60763 4.07813e-08 4.07813e-08 59145.97458 1320.38325 212343.3269 187485.3807 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 935.4636876 4.07813e-08 138.5470288 555273.392 201237.9459 355472.4 73025.482 45769.87882 4.07813e-08 783.0639936 4.07813e-08 22.77979863 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47.93515518 739.859826 584.4196056 4.07813e-08 129014.458 71417.36305 345647.9144 238679.7383 18529.56155 55418.62921 0.824643243 4.07813e-08 4.07813e-08 902653.4469 560869.0709 206535.4116 179790.2349 31892.03819 4.07813e-08 340434.1198 417.1816838 27487.24206 Allotetrahydrocortisone 270.5790287 444.7119214 1284.893412 336.3209341 1627.456566 1251.690797 1338.159213 1513.812287 896.1538939 6925.567974 9921.780893 8123.326822 6693.861485 18405.87136 17939.72391 12422.86553 15214.70822 10357.64771 585.5556308 1056.910191 657.4395902 1392.492154 886.1871626 1792.01483 1274.567169 152.1693356 739.964078 4280.95823 6913.66445 11805.521 8651.60497 17326.05448 8933.869471 7661.301241 7754.813064 9474.627339 513.6672771 916.6710417 518.8873885 634.9801799 1344.366091 1405.186785 912.3859269 322.0955906 750.3776074 1074.650956 1083.47045 726.4848975 356.5239637 36.24155905 13095.79378 473.6340785 6781.794786 826.3387906 N-(3-oxo-octadecanoyl)-homoserine lactone 2093.425489 12196.70932 2721.369194 1857.590845 2662.038 3251.130053 3958.595509 7301.096185 7674.302593 111.1215708 92.0438798 6004.261394 536.9288556 7558.820617 4739.261263 958.9875822 2467.67904 6370.453032 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 297.8963515 4.07813e-08 1618.259152 838.6822988 4.07813e-08 3149.993917 3845.464641 438.8249551 2398.539853 2805.53999 1953.842314 974.3778047 7709.045493 1989.357046 10680.02001 1151.670379 380.7397314 78.33056131 4.07813e-08 399.381747 103.7872551 1188.214931 114.1296628 559.5512952 108.7485021 2484.23482 4555.918078 8892.879092 4191.490634 3349.934183 1734.581727 692.7135471 8,11,14-Eicosatrienoic acid 23932.54739 15199.79561 15890.70338 21240.60769 12066.41026 11633.75587 7666.725667 10392.63528 12384.57882 332.5145389 333.2267466 282.4504457 320.551571 220.9456406 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14593.96954 7517.97789 9422.350197 11103.32664 9201.696783 2946.346471 6815.33557 8127.408896 6424.811421 69.27810547 4.07813e-08 1045.877429 69.46909803 74.57763007 426.7866603 714.7398081 410.444326 153.6379852 14747.15986 12880.58946 11834.06035 4297.516473 7322.872899 9441.993909 3657.653454 6260.222235 8639.321258 6448.118574 9128.756058 15356.8828 14528.96355 11561.08252 69.8426089 11501.79211 148.6156939 7971.73634 1-O-(2-methoxy-hexadecyl)-sn-glycerol 4.07813e-08 8005.207719 30255.96076 23370.26115 23078.8762 23712.93861 11242.75691 11500.33212 8179.309523 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9154.532145 4725.483119 368.970143 7416.536779 1514.045598 4.07813e-08 6428.954835 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 93.08239564 171.4971216 7772.873864 11955.64886 5889.34197 102.602943 8682.179503 4.07813e-08 955.4719718 90.29603688 4.07813e-08 4.07813e-08 1416.956811 1023.562838 4.07813e-08 10324.00261 4.07813e-08 5801.952872 delta9-4-NeuroF 70960.40288 53514.84217 56985.00634 34400.3426 26933.36279 75974.98437 51462.9347 56142.20872 56174.73221 10518.49576 9610.494422 6822.935193 11021.07615 9565.058335 9711.663343 926.9965533 5775.784041 10827.77501 98309.59454 98685.61901 91293.4232 93850.14551 68216.59999 48660.97113 50845.63793 29782.7173 35449.05562 3257.19091 11552.27494 7775.57108 6725.543597 17821.52387 6186.582854 7920.915928 2005.395411 2818.425395 78729.72437 64931.45191 94658.42005 83157.39918 79106.02595 71884.06897 45266.1311 27034.41134 45912.82322 88991.82871 81587.79244 91518.87876 65813.67271 42406.91766 15052.73885 95198.97837 4362.59844 57287.00523 1(10),11-Eremophiladiene-2,9-dione 4.07813e-08 83.66061333 4.07813e-08 108.4306336 4.07813e-08 113.0656744 802.5760195 69.77199524 102.7045 1032.670838 939.0445157 565.9451774 782.5403731 3741.991336 1835.860435 2286.484251 2448.606828 7147.971939 4.07813e-08 4.07813e-08 4.07813e-08 148.8335678 39.08323812 87.17228366 4.07813e-08 4.07813e-08 46.25189949 4329.987899 3597.95821 4059.325151 8818.220892 15216.12111 3463.006356 5555.983802 1722.644656 4723.837287 4.07813e-08 39.45855973 4.07813e-08 4.07813e-08 71.42116937 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 129.1352021 4.07813e-08 282.9929151 63.53006208 9214.940668 333.1601926 1009.235257 455.8886206 6'-Epipravastatin 394.6460127 1342.716534 379.9575422 1081.368477 452.8659133 1162.935494 458.1814948 1523.78569 779.6969215 3572.377222 4.07813e-08 850.3383377 4753.069191 939.0222326 5068.716847 4.07813e-08 10404.39795 1309.61517 158.2903006 654.4841249 1948.441212 2781.990374 279.0008424 147.2001638 2760.249015 4.07813e-08 194.1494852 15693.20087 1780.904565 620.1722054 7918.191845 1544.590721 5284.805204 11827.41596 9500.632387 2757.486604 9065.900271 715.3954124 313.323093 417.3717457 597.6795643 1418.177737 127.1555084 4.07813e-08 4.07813e-08 179.6166854 4.07813e-08 4.07813e-08 731.5602023 686.3755846 5718.188616 534.2797495 1972.455567 4.07813e-08 alpha-Terpinyl anthranilate 6296.070475 2130.681158 2977.597964 1562.662638 1789.072953 8018.252401 4392.856068 1105.807372 5815.062465 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.74365061 4.07813e-08 4.07813e-08 2135.93911 5566.993156 7212.696118 3288.490715 4295.192157 2958.528591 2411.465366 4.07813e-08 560.1746725 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.06605376 4.07813e-08 6604.876849 8689.126368 3687.72204 8558.245226 2408.423668 4504.236675 3296.631837 4.07813e-08 163.5113135 1855.707851 3101.008952 2986.56929 4689.141135 1880.177599 74.09823444 2473.151947 4.07813e-08 822.9862488 Phenethyl decanoate 2830.496293 1366.508468 3247.585263 2222.146702 2357.363172 2019.890152 3183.955672 2468.473909 1861.295402 1758.355038 1680.898344 2043.001405 1664.484221 3043.524819 2468.585809 2141.585294 1850.548091 1525.51034 2117.865024 1965.73205 1365.142419 1891.692453 2127.786338 2218.887526 2381.667098 2303.706769 2080.23238 2574.522988 877.7429921 2772.488362 2116.263428 2173.429072 1793.602947 1841.004288 6586.744803 2739.858278 2431.473278 2413.021301 1559.56418 1327.497863 1983.969259 1687.196401 1163.729767 2463.371857 1535.957915 3240.533415 3263.128275 1639.353729 1527.823457 1743.47396 1212.022947 2630.545184 1939.538297 1395.518702 13-Deoxytedanolide 46132.91758 539.730836 11298.84098 22809.3261 31144.91082 3180.13377 10606.34811 11274.87014 1072.314433 4.07813e-08 4.07813e-08 0.460299399 4.07813e-08 4.07813e-08 17.4159334 4.07813e-08 50.38379584 49.40786803 41241.16907 16541.5846 1844.772324 8882.322254 3392.150948 2734.993424 2623.209772 2806.549046 976.3775136 4.07813e-08 4.022312744 4.07813e-08 410.0482201 4.07813e-08 4.07813e-08 228.5960887 251.2178092 135.8273392 13784.01238 4509.395502 1783.301607 3256.658992 47602.18493 11625.46883 6062.354569 2725.471649 748.3896538 4000.614537 6238.664707 3006.459853 5537.437388 196.4268923 85.25154368 20949.36932 9.656593943 42081.3769 9,12-dimethoxy-13-hydroxy-10-octadecenoic acid 7763.732412 7076.869195 11170.77822 13268.1183 12358.67372 28509.48218 15896.8312 4606.881729 4104.472972 184.4395488 4.07813e-08 4.07813e-08 85.92284856 87.53810892 4.07813e-08 4.07813e-08 4.07813e-08 385.2490345 15174.03065 16171.16186 12047.50854 14676.2933 17385.78025 19391.18369 8500.262321 4781.548508 9402.257647 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 75.79438233 4.07813e-08 4.07813e-08 4.07813e-08 335.7685162 9169.144535 14197.86634 11336.4281 12549.92942 16320.02721 11791.74991 21853.54268 4878.650672 6889.869183 13335.88494 11393.04814 14392.21223 4505.10253 2507.708492 541.5990919 13654.69456 1778.621497 6364.601929 Nonyl octanoate 11934.42543 12925.86466 13576.9834 12344.01407 11602.00476 10012.32513 10019.01215 12171.72867 11940.91754 5882.889077 13075.29474 3307.227329 5027.52284 2749.223303 1727.159891 9745.688422 1732.083282 2559.165766 8141.007346 7909.22176 7687.096143 7735.150327 7547.421312 7283.574148 10501.08758 10059.07198 9257.696595 3264.977553 6171.463949 8651.622418 5206.138959 4484.171598 8384.468138 4036.721759 2572.700745 9932.998645 9890.496942 8555.298993 8511.00485 7235.35236 7082.271162 8724.789755 8266.418436 10243.68015 9565.056872 8474.835025 6464.613645 8303.573116 8694.446932 10445.54335 5790.315825 10440.99889 8120.254343 9323.478735 4,5-Epoxy-11(13)-guaien-12,8-olide 4.07813e-08 477.2689484 84.39300669 157.6584424 4.07813e-08 95.95936171 132.1809656 440.8525207 260.8567409 1314.580959 1609.287674 861.0669959 1535.679012 1576.847633 1041.900523 2825.937153 2498.085901 3457.365892 61.94016974 4.07813e-08 52.360762 4.07813e-08 125.5333717 76.02395434 4.07813e-08 81.03846274 243.9556817 4006.796644 3466.323508 2239.095736 3714.576396 4820.493572 3352.117048 5290.505865 1733.795389 2382.465565 373.9124104 4.07813e-08 167.993222 55.59327677 71.60359023 4.07813e-08 148.1813105 145.6969954 4.07813e-08 64.30064227 136.2113934 256.1220866 411.9250803 206.9807539 4241.277183 302.8704733 1266.033702 150.7736335 6-O-Acetylaustroinulin 216.217712 4.07813e-08 145.0356492 4.07813e-08 4.07813e-08 155.8310254 267.9710585 203.3266252 4.07813e-08 2921.577324 2331.038494 2210.869977 2336.883687 9557.86703 7735.031585 2513.58308 5780.697529 7001.386877 331.9007443 4.07813e-08 490.1334269 305.7266805 271.6572726 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1451.466714 2528.249881 3835.890401 4092.262187 6970.627351 2179.9166 1824.536526 1218.073218 1516.808371 727.2981741 555.951226 185.5590965 111.7405052 119.83401 4.07813e-08 4.07813e-08 182.9846519 225.1386025 4.07813e-08 474.02533 131.2970324 4.07813e-08 4.07813e-08 4346.125961 13.35481425 1136.40273 4.07813e-08 Acoric acid 6805.139022 1923.234746 2650.046762 2067.525354 668.2054632 14315.9225 20526.88973 1559.677019 1224.775237 2078.643044 1812.588532 916.3571302 1280.313658 1305.04331 3025.257862 2120.500915 1253.158597 1107.886471 1011.652857 466.5674035 2580.883502 4392.666909 4441.550213 3609.133424 1491.254638 1912.634885 3136.464124 703.7448076 1323.956918 1119.539081 2494.078767 1183.377793 1382.787505 2924.214451 1080.700623 1965.267295 10637.84846 4013.212995 7900.849454 3686.873081 2935.376712 2050.684052 2722.797434 2668.185374 2307.083559 930.4174348 1299.214307 4008.62335 6512.062463 3060.694571 5365.610943 1780.296627 3624.524796 3851.702401 Naphthalene-1,2-diol 404.5965658 779.2872556 149.90271 494.26724 300.7994771 460.0237972 281.965387 201.240453 459.3438853 214.1028079 226.281093 284.4563976 432.261594 161.8377523 312.0671507 284.7494237 261.3645117 351.8382014 119.7155082 467.2791613 259.8225989 388.5253263 439.8978629 407.5856738 168.7207869 590.3694782 501.8816823 211.8510466 206.8137844 632.1630957 317.1513704 159.9343319 597.7863095 204.8204278 367.9271476 197.3742374 227.0740142 278.2270187 581.101844 201.4457497 287.1349709 276.1323983 395.2551218 224.9419438 215.0999294 342.1173734 418.2911424 436.5326453 387.2716314 414.7330634 335.002974 230.7840228 353.5196452 477.7314215 Palmitelaidic acid 5449.668036 5417.231906 4969.654281 4918.574492 4756.812376 3987.739767 4439.843646 5459.552398 4887.569479 3259.635656 2814.512795 2918.772314 3211.850654 3424.798065 2371.244698 3827.393135 3888.633289 4089.385688 2907.075308 3558.672562 3219.275391 3240.442234 2842.953099 3309.796004 4994.651293 4782.410177 3899.73004 3413.827334 3454.340348 3677.942094 3412.166852 2659.803192 3875.951823 3177.200441 4021.085204 4158.172724 3574.760888 2797.744405 3407.949141 2474.317211 4117.740999 3991.914822 3638.975659 4544.51638 4207.013604 4279.75149 3158.667368 3312.596866 4370.461693 4111.994079 3309.651231 3808.763875 3645.238313 4523.737338 Rhodinyl isovalerate 22972.88938 22142.59266 22747.50519 21376.41471 19627.12657 17439.06213 17055.1695 22520.98468 22708.08129 14439.53988 12810.95338 12555.10387 13096.11009 14311.72903 10391.66974 19515.34342 13980.59879 15963.43259 13976.34419 14992.74465 13813.9269 14532.65826 13249.57661 13324.30695 18510.59895 18744.76164 16773.08566 13165.15732 13638.01595 15851.71693 15264.49218 12133.75847 16243.60247 13995.92042 14703.02164 17532.92547 15545.67832 12976.8027 14880.79083 11630.46843 16568.31889 16159.68227 15784.40009 19879.36094 16425.82139 15874.44385 14480.59977 15163.7962 19530.93559 16794.9028 14332.44662 16780.46244 16447.33781 20138.63696 5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric acid 4.07813e-08 21942.49475 4.07813e-08 4.07813e-08 3235.537171 898.1047073 13643.79521 4.07813e-08 4.07813e-08 54574.0226 33605.47314 45258.25432 52836.85652 48074.07829 99019.89634 37076.75238 12770.0841 27360.8965 4607.755735 12549.87036 2478.547709 964.0460246 1909.171229 2692.689103 909.5424206 4185.333912 1850.723483 97392.63148 97482.0186 34578.9094 93789.02615 117350.0278 86012.96683 119464.5974 26897.5002 31858.09036 13530.01006 1033.295758 16468.22354 5430.68686 4598.9812 2715.932621 4.07813e-08 1765.88072 4172.730254 3212.301539 672.2018493 5388.489113 15361.28494 49898.40852 103608.3984 7769.949026 93740.98335 24751.97011 Lysyl-Threonine 23052.61149 42155.53218 5507.330564 39359.78334 14740.239 16363.99342 26335.16752 53016.33276 39327.72662 15824.01645 27436.14737 17843.68723 15146.43983 7769.420431 15467.82631 25718.3372 13311.0896 12468.40798 735.9866337 11070.31101 16111.96865 918.2263567 4246.79471 1452.079674 8533.465085 4721.92646 6658.645112 9329.235141 13151.62587 8848.619208 16626.05001 7837.412253 7694.975841 15807.02535 18872.721 14259.75714 2421.772746 8674.48685 11352.13242 12842.61816 2114.877115 3137.233343 10247.60325 2222.888812 1232.052063 4170.954615 17212.0279 8260.26698 19138.06694 20412.71004 7363.926167 7306.970548 14874.14882 7414.419384 Acyclovir 7859.723894 3424.29597 5488.385585 3877.681231 7462.596581 7509.23146 4805.808275 4071.800642 5111.703439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16503.19013 15423.46182 14196.85574 14423.76622 18914.85031 16210.21507 17315.36951 19781.52228 16669.28232 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6220.279892 12450.3296 11321.69996 11161.21146 15390.27545 16350.24143 13822.83961 17731.09212 27268.01993 8885.573548 7895.868092 8238.966744 4776.379334 3830.874741 4.07813e-08 7251.577681 4.07813e-08 8895.69463 Histidinyl-Alanine 11566.58061 12018.18261 7012.186823 5769.318747 3524.402282 3580.407276 8378.465346 13073.59266 11394.77022 15860.27414 14745.43513 8680.027707 20115.91827 5089.942217 6737.680036 1931.425244 7403.718182 23437.98847 6777.495215 3037.220361 2300.125801 5063.514732 4797.20418 4.07813e-08 6071.020998 7448.205639 2672.587195 9545.161945 11889.4346 3878.786533 8657.364785 13728.85224 10966.69055 16174.80074 1756.118917 3515.409909 7004.5876260000005 3863.27963 5371.130076 4236.478405 6386.901874 2589.876483 2239.342916 4086.891994 6442.291925 1067.356017 2824.169482 5211.892966 3835.090598 7069.685514 10292.72267 5541.461501 10540.10114 3383.849259 Neuraminic acid 16811.85506 14494.92441 18855.29838 19841.93519 27058.96037 21180.36164 13134.77916 18093.95004 12943.27948 27496.6379 25044.87762 14343.08855 26918.19372 9491.194344 17229.02944 11885.72917 11590.07251 6522.100748 19266.3236 20546.37048 20673.51559 18973.0253 27282.92592 20590.75926 23628.44439 18681.21682 24548.58873 24795.84196 26800.53586 22707.63653 11610.27478 28011.59297 22176.31622 27155.18941 9957.564181 19867.06706 16136.19881 18722.73562 20584.11954 19200.95396 19282.07187 29647.70941 12667.49694 22675.8478 21295.90668 18626.04024 18150.11179 16787.43882 23528.82422 24986.04366 27398.39565 20339.97152 26592.42138 19386.53344 N-Succinyl-L,L-2,6-diaminopimelate 46951.00959 75849.44891 93601.46294 105252.0174 128814.1408 75399.35349 91644.84351 144047.9108 95503.5749 435.717338 130.7956569 88.08477049 588.8515858 40.48414738 40.52552574 85.87880714 8.732002508 18.95841024 56856.63983 15495.07111 25974.05644 10289.98506 11018.07191 31872.3061 20110.82521 9171.652348 73226.39452 191.1610628 462.7944276 4.07813e-08 232.0764314 1102.173685 420.9347119 470.8809803 5.768921521 4.07813e-08 38295.61112 50719.96483 82262.12786 82154.07579 99597.68704 39676.63943 103599.5128 39372.52073 7279.3284 89719.82901 34881.38423 141439.413 140456.481 129891.9977 141.6920667 158156.804 84.40729768 167591.2221 Saxitoxin 3389.93179 5276.882046 2254.344928 3793.1178 3990.540566 5989.829352 3496.274682 4811.820986 1959.63383 95142.30791 96763.9734 49431.45834 110091.6647 53428.77213 54242.22549 44962.64226 60765.67579 80603.17611 8037.71239 6937.159622 5334.129999 5087.093819 3225.306597 5082.819806 3270.329782 3160.684357 4243.674156 50601.81679 65767.83694 79598.00888 47932.33436 102803.2324 65610.01 55615.87945 30799.44606 61132.67232 2413.030105 7244.439827 5413.754666 2174.547515 6012.972808 6346.437149 2385.099881 2852.187025 3585.99202 880.2398205 3401.258312 3839.416677 4651.447282 2719.6385 94872.92588 4210.925046 71488.57998 4418.768389 Tiopronin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 308.6296891 4.07813e-08 635.2450549 1985.024859 2547.233059 629.3468957 2305.280762 2019.196901 5358.335399 11622.27212 3074.26204 651.4327889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 138.5205901 4.07813e-08 4.07813e-08 4.07813e-08 6188.917178 1473.58885 13257.1971 2185.847996 9083.880774 2365.916811 257.2275284 6592.692563 3305.223207 285.7612074 4.07813e-08 4.07813e-08 184.9529655 4.07813e-08 4.07813e-08 201.9429222 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 169.1064146 4.07813e-08 4.07813e-08 4093.813723 603.9972725 1068.337618 4.07813e-08 beta-Alanyl-L-arginine 11449.71271 24661.13526 7414.22382 6067.480851 4371.969374 7582.756809 11624.26421 15910.58677 11852.57981 48312.6397 39046.37601 21658.16069 49519.68364 22661.34476 40000.91303 12956.25347 23877.83707 61444.03475 7429.984607 5201.719746 5052.57567 5316.216073 6381.346052 2811.008974 5680.677061 6323.790594 3922.993033 33641.2961 35565.62147 22192.05626 32078.77551 42561.32631 34641.99844 45937.11027 17396.69543 17915.73972 8005.582568 4462.242156 3959.202568 3329.750138 4685.241665 6398.811598 2896.748119 6196.765451 8299.709244 4.07813e-08 1971.169281 3793.164303 8875.789175 12249.19417 53127.66379 7062.689879 38064.91436 7259.636101 Lactitol dihydrate 167.8680396 518.3278418 200.9967224 892.4017615 1803.10903 135.4104099 1164.014159 204.5005378 256.7683231 17100.20034 14132.43536 9241.383009 16253.94266 7358.068331 8093.833017 5081.813357 3545.794531 7924.086216 106.2329019 644.5193929 646.013851 893.3970338 1100.168159 4099.182035 420.7628866 1452.647164 951.4325973 7589.134233 10834.50608 9408.222226 6210.356581 11779.44839 9633.672033 7617.720683 3909.806099 6122.402024 1277.73413 1208.929529 1019.511314 589.6470346 263.472633 1972.694986 488.8233543 1678.519265 2219.913971 1658.723846 464.5396662 173.1948622 1147.430835 1118.421705 10083.89565 87.84792965 7950.750055 576.3764262 Lysyl-Aspartate 39590.95994 39791.21302 31661.38418 34089.21474 37539.28335 33709.53398 45730.81654 41331.57697 48454.12578 16695.25567 13882.2873 13698.18333 16359.81168 9916.713776 12606.10163 10762.29287 10812.85311 15259.22047 34646.19923 31752.64579 31486.47788 33263.00777 34817.35332 33385.75081 31105.35185 48544.33841 41553.87491 16923.91039 14820.72573 11012.87098 12236.40978 15458.23759 13524.93105 17516.45004 9890.248765 11245.43063 27532.59062 33436.73807 34874.57103 32654.93963 32549.56701 34176.98912 30172.42833 41806.92224 48620.56121 34141.42436 27449.16273 35615.57093 36286.10563 40862.63242 15511.07168 33227.02981 20836.06319 27682.14626 Benserazide 24237.15884 22463.16071 25433.65836 30311.98072 31507.57919 24941.94811 22851.50052 16490.8 16189.56188 10762.27597 27792.10769 16007.23263 14333.74084 13020.30324 8337.495635 20262.13046 8573.981334 6450.823172 35143.0923 31396.75769 30540.79962 28463.88448 31686.62969 27803.98893 32868.81154 38009.36123 37756.25318 19599.93139 11024.00051 13670.93702 8358.254168 19450.08402 14091.71008 21118.82429 17283.54931 12210.12602 25837.89622 33018.85649 26886.43991 36212.44072 29189.65802 32267.58896 33625.05681 37152.81822 47147.26923 37089.08523 23946.79126 22857.18098 21528.40873 17759.57558 17628.06141 25128.45336 13629.9901 26055.23102 XE991 4274.914309 19143.23763 8223.367098 9209.700044 10980.307 5504.916636 9402.84033 8053.747365 5325.911882 185423.9113 169459.9141 92000.4436 183261.7279 74726.03674 121787.9662 62054.64993 85807.22558 94494.54972 4980.879478 2292.37358 3501.232141 2018.441314 1265.446492 1124.076098 4505.124222 1607.517298 5228.055878 107165.9217 171122.3375 135703.6632 104728.7671 147056.04 99916.07331 119507.4566 61428.19576 94011.13972 6281.339455 3782.954945 6242.99847 7489.524063 8686.252708 5261.315885 4801.285942 5172.680713 1196.224298 3953.073698 3334.07775 5249.239363 18193.17884 28028.44738 181285.1621 9299.08405 161946.1321 8210.199079 Hyaluronic acid 3661.396443 1810.649516 2522.071243 4.07813e-08 366.6103583 1587.621122 3338.534331 4.07813e-08 4.07813e-08 4287.213341 2106.667256 284.7295575 2950.492882 352.2984486 3305.339943 1717.272703 314.3978099 2911.394482 8396.199019 7020.408177 8843.379041 8399.587326 3845.405138 2465.739096 4312.025078 4977.1845 4151.74721 2141.51623 3613.917369 4.07813e-08 1523.038992 2528.065477 1661.836044 5196.418168 451.3669319 298.5828871 3971.202558 4873.598469 6113.628426 9882.183259 5598.245885 5784.813394 1974.131852 5064.990969 7676.882493 1388.229804 1486.765165 2656.701972 3538.61002 2163.586355 3536.193138 4091.282707 2869.61557 2307.076938 2-Methylpiperidine 794.1345346 366.5153093 809.5366911 769.7005281 750.3275533 620.84562 398.6442519 4.07813e-08 62.05856562 179.0278806 372.5154606 258.807954 132.8608234 203.4570029 163.5776095 224.4726661 274.1474997 121.627762 403.0445143 403.4442421 464.6406627 260.8914189 272.7844595 399.9304849 184.9369435 520.3062524 420.637712 78.39883265 214.2065354 154.7132559 103.4448529 237.4040572 144.7614376 43.11781104 254.9390133 259.5818647 286.4493417 313.5328453 344.6483753 186.4975231 254.5691422 297.6178995 427.0940433 348.9089013 628.3132042 524.5814841 344.316098 263.0734633 4.07813e-08 36.16486455 73.38486672 343.1992857 161.0751254 523.2073524 2,4-HEXADIENOIC ACID ISOBUTYLAMIDE 1136.408547 1062.491851 1105.181129 623.4290825 413.3894811 1279.008961 890.7619105 761.1583248 934.0795686 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1809.176991 2253.931794 2083.706495 627.2343414 2287.417157 1400.462227 1804.438911 1063.516 2184.289361 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 226.2007093 2094.243113 1367.075297 1770.648019 963.7838861 1485.607864 2102.386279 1507.08864 553.9982766 3454.228687 1590.477064 1212.977581 1190.707252 1253.768049 4.07813e-08 1357.353172 4.07813e-08 1619.532973 MCI-186 101.6548642 633.6900268 4.07813e-08 96.32005621 4.07813e-08 4.07813e-08 217.739327 4.07813e-08 100.774492 2429.883316 1421.75279 3165.031361 3055.145502 2280.98993 1874.191753 1177.208883 3866.332482 2439.823688 166.4610635 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3320.425618 1837.06889 2341.042777 2586.29106 2132.52062 2290.056427 3328.841264 2108.534595 1857.93284 786.8006161 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 200.1766197 576.7374081 4.07813e-08 90.55790567 645.0378171 2508.557605 262.094724 2557.246728 261.6785794 3-Nitrotyrosine 988.5746924 1615.756086 687.6287853 255.0441904 265.274039 264.2130071 177.1582758 245.2204336 4.07813e-08 4699.892126 3048.425351 2968.63048 3636.890356 2109.214194 2181.602984 1143.939242 1838.512109 407.1364584 889.3284875 593.7855518 889.1203935 1144.043228 534.2341391 90.17267595 981.0536381 6168.532303 4.07813e-08 2064.104414 2506.312793 3705.981896 1399.056999 2579.090242 4041.329557 4746.885419 776.2298693 2422.80208 2182.056163 1343.918818 1715.179401 379.805691 1314.724475 2054.422861 116.0190248 2783.978868 1993.492745 145.7278128 4.07813e-08 465.3169803 319.4100703 1015.246188 2499.253896 221.4609991 1796.67507 232.6007472 7-Ethoxycoumarin 2567.434529 2271.897187 4723.486223 4395.892136 5760.882817 4854.291 2302.802928 2675.735175 1976.786414 4.07813e-08 89.77143133 495.3492413 4.07813e-08 744.027321 4.07813e-08 75.34698992 4.07813e-08 4.07813e-08 6079.380822 6086.940865 5419.178719 4955.502657 5444.12477 6819.032553 4166.089951 9001.814332 8580.763075 4.07813e-08 234.3281982 118.1812359 4.07813e-08 339.358989 839.7406506 4.07813e-08 112.2577947 622.2130696 2441.795401 5055.197515 4880.469984 6301.292851 4779.050014 3708.587747 6927.680026 10008.98987 2541.546355 5091.065437 2516.716768 3102.825364 2762.563078 3487.890948 279.0165718 3211.748175 112.7204881 3621.477093 Neosaxitoxin 473.93601 4.07813e-08 264.6113815 964.5181628 1534.562521 697.4637012 344.9839613 4.07813e-08 4.07813e-08 13104.13158 9949.570467 12622.34889 13712.34044 14130.90483 19737.74244 6704.598866 2410.896812 4015.920379 565.8953234 1096.858132 427.2246882 1181.982536 2352.278561 305.6077193 1016.711001 486.7025944 823.8853185 22051.81788 12857.9111 15155.28047 20676.46105 24062.36674 19684.44309 16387.5966 8215.260302 8036.064433 1147.92669 532.594824 536.2366702 529.1300021 657.7182929 1102.221832 260.5209328 410.2012237 667.5326749 722.3989492 1020.182939 1310.27035 388.0227529 1465.394183 18192.97969 694.1037453 17151.25203 1747.754766 omega-hydroxy hendecanoic acid 1617.296179 1189.925192 1422.091978 1410.335699 1619.261368 1463.45954 777.2801281 1709.989976 1948.657326 5270.531263 5449.26729 4424.636217 5476.070485 5144.574379 4013.23692 6206.868155 5920.728953 8587.436729 629.2737353 894.5755767 683.058144 1049.221408 1033.774131 664.8177142 1530.547635 1091.410169 393.3908011 5918.259831 5328.006391 5370.722642 5287.784074 6346.125771 2335.170014 2268.638551 5289.452277 6568.783321 1078.758931 732.2804922 318.0291982 701.4626515 1447.880675 1363.346399 1478.510831 679.5720625 1085.102218 673.2666209 924.1610098 980.4973654 1249.137256 512.6220572 6859.325044 832.3526068 5441.040014 1162.565424 Oxoamide 4.07813e-08 129.1291069 4.07813e-08 74.76435221 4.07813e-08 4.07813e-08 131.0733999 78.52441962 141.6680734 2889.741119 2459.437455 2280.959995 2886.954874 2155.372745 2318.856353 1859.867205 4207.36968 4548.489865 47.45234026 4.07813e-08 970.444591 41.77166594 4.07813e-08 4.07813e-08 75.0811863 4.07813e-08 4.07813e-08 3703.463506 3478.79982 2738.636745 3400.857916 2990.633043 3969.04246 4244.369887 2568.839014 2198.141455 210.2875301 4.07813e-08 66.84983599 34.1663854 36.63129146 4.07813e-08 4.07813e-08 80.49353965 4.07813e-08 93.67246544 47.07021976 4.07813e-08 4.07813e-08 252.1599401 2822.12913 62.60694034 3314.05915 214.7500076 4E-Decenedioic acid 1735.119405 1097.373508 1370.677168 644.6270735 1324.284004 1218.217831 1191.117967 1169.906837 1250.933731 733.1788192 896.7491435 676.5829903 492.4282903 797.845248 548.4913754 956.8411558 870.4115202 793.2846109 804.4918661 870.8831403 938.5053612 832.3609183 1049.04053 523.0208112 913.6560577 1105.237634 1200.552208 869.853453 752.0342471 895.1357067 721.3235902 683.9944058 804.5201923 763.9075374 987.8042165 985.620563 1189.740314 910.7052898 798.3147443 711.7732583 1089.50361 1020.705039 1156.601994 1263.03281 936.6110187 948.5022325 771.985897 1081.940763 804.4689111 415.5936762 553.0019327 1242.073478 557.0460893 1182.706407 Pyrocoll 72.93793545 4.07813e-08 384.7852364 182.8127885 371.8312649 410.9975118 250.9899641 165.6976357 4.07813e-08 333.3012718 306.1192374 390.4436778 198.0269222 199.7142505 217.199667 64.75761518 202.3302302 210.51834 549.6580252 449.2446008 430.2547696 380.6423425 490.7392114 451.2230922 190.5625253 524.0363255 632.5915113 4.07813e-08 321.5772096 212.821846 108.6675822 733.0154141 847.0483802 843.1419992 45.90837297 297.9314586 99.14642975 440.4966792 406.6369507 243.6024567 518.319062 541.1167871 346.6808573 674.0241143 540.7809565 144.6486136 343.5587103 519.5630697 696.9330583 354.5330468 1228.311395 468.4537966 385.5862606 270.8193082 N-Valerylglycine methyl ester 19560.98473 19149.81119 21146.62088 17172.56525 17662.7028 17742.62974 16781.28069 17343.17212 18846.60871 12082.64536 10583.20411 9317.662439 11333.88653 10027.87716 9945.607464 10434.17027 9229.648472 11710.67243 15021.01336 15540.48944 14765.5278 15005.14242 14842.27433 15952.32382 16634.35847 22355.71856 20618.81652 10055.24427 10347.17352 11968.5755 11179.30306 11405.74619 11509.9216 11142.29581 11381.81555 11729.87577 16255.87853 15917.2136 15599.18492 14457.3993 15784.79237 15786.01688 16185.33249 24537.3265 17425.72468 16587.28555 13865.18322 15083.70348 15776.70684 15604.15071 9560.792883 15046.24952 11406.39645 18877.13985 4-(dimethylamino)azobenzene n-oxide 2020.714904 2912.981615 1815.327268 4554.891371 3264.065366 1968.369914 1985.264074 792.9521191 942.6880206 3367.397862 3066.500836 2802.035135 3477.763364 1144.544696 2077.01873 1985.857966 991.6219145 1638.719154 3653.433505 2071.768163 2300.372353 2544.699713 1411.591421 1705.871125 2720.513904 2810.659499 2061.211234 4836.4916 4094.458561 5112.673939 2837.7478 3680.986328 6020.906762 5552.016397 1649.737971 3551.893568 4504.132559 2650.413925 2523.886324 2442.076953 2341.085562 3513.380505 1340.041402 3576.737863 3458.932484 1515.277135 2140.09096 3033.075048 3613.20368 4481.476528 4611.777089 2905.518678 4781.179822 2197.502897 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 1113.619356 6940.516634 1497.941519 3223.465578 1695.074107 3695.393759 2760.062233 9670.481706 13979.11923 10553.33058 14426.34542 5831.197534 10826.50932 5387.224517 7416.860465 3997.898331 8131.806258 8401.876104 755.1099894 1126.130922 1349.527911 590.0770642 547.0497886 290.4855644 272.6903585 961.6830969 913.0417939 12463.84251 6043.22901 14220.66388 4721.409126 15495.47441 9331.217298 7397.26379 6616.215304 6406.143908 627.8272551 899.9171208 1798.502769 530.5651619 779.3779063 733.1919467 602.6357123 660.0316924 105.7783853 1825.526718 4721.675754 3026.0373 4538.591404 8235.420871 7594.350247 2598.921676 8414.654434 1293.701327 O-Methylisoetharine sulfate 1216.369104 1556.91833 1875.678781 833.4621446 2635.462548 4224.671878 3138.114019 2528.270734 3596.483554 546.3129586 707.8361644 869.2160345 595.1808759 89.90546963 286.7261825 4.07813e-08 777.9028813 4.07813e-08 4112.320944 1923.61706 3754.315111 4090.974818 7888.477442 8264.088878 5667.151611 4746.115733 8797.552654 73.57223387 473.5739065 421.9824056 424.203092 1269.59187 512.5407443 414.9478708 357.6686985 238.242492 1654.233091 1336.246654 1989.619168 3789.415093 4606.483644 6010.851592 6849.227671 6074.349177 6013.400085 8199.620506 1629.449206 3023.679326 1847.364603 1847.453243 845.3251758 1632.343526 719.6574375 3888.899223 1,2-Dihydroxymint lactone 2017.437712 2275.322395 2329.15532 2609.931965 2315.870657 2338.404079 2216.826458 1933.890572 2059.110876 1420.802005 1094.778649 1303.697741 1209.734197 1496.34174 1064.769618 1929.147366 1318.866071 1223.194297 1809.252863 1757.34096 1796.990165 1908.776197 2021.152217 1620.471785 1987.804488 2816.967411 1872.946298 1419.122932 1587.75007 1413.716849 1240.319189 1342.849825 1397.129767 1430.82112 1454.712378 1948.712111 1774.20221 2050.562613 1795.090215 1729.819811 1573.467154 2099.679951 1613.736394 2793.02862 2244.426492 2391.396025 1857.478946 1454.753188 2105.383424 2257.270168 964.162098 1890.418117 1682.060345 2237.882696 (R)-Lisofylline 1460.217328 539.5973216 1816.88708 1540.681217 1953.612156 1709.659488 2284.150972 1780.349966 853.9780825 247.0159317 44.32140314 14.33386009 195.2917321 26.90494673 471.3243347 337.0000117 14.71277651 24.15732808 5494.507284 6240.928749 2073.839468 4021.156902 6651.053285 7082.791568 6400.600158 6185.759127 7219.217849 286.8716156 483.6834328 22.25624302 690.1320162 34.15610206 36.77717888 552.9232953 278.8001161 159.8427659 2800.306532 3103.204391 2100.29731 3614.974271 4908.537436 5309.964092 6648.286798 7642.748718 6071.366761 4940.058346 3665.713575 3930.015227 2535.740184 1818.552129 20.22408842 3341.873175 46.65467285 4175.983457 Norecasantalol 2870.644542 2767.529983 4470.009899 3191.249575 4065.751627 7461.291 4748.810979 5333.168554 4655.966617 883.4193322 1039.336487 1084.632045 1038.386965 1123.896534 1108.386728 1255.940134 1251.432967 1145.800515 3583.60449 6861.246001 4631.178693 5124.541631 4744.148877 7185.555114 4699.431964 3572.611931 1889.222202 969.363975 1118.718364 1136.712273 995.4236592 918.9874607 917.3960783 839.7869877 1173.703436 1319.340159 2922.37866 3360.791352 3077.41346 4254.278568 6985.864469 3150.491831 5811.852199 3170.331983 1771.867027 9467.511994 5918.496598 8102.473003 3961.092849 3583.301414 2325.429722 5132.687762 1541.440477 4026.54122 Quinestrol 133.4406846 1850.192029 3191.400091 8911.401719 4759.700459 2199.265254 2615.55691 173.4614449 4.07813e-08 4.07813e-08 4.07813e-08 291.7946261 4.07813e-08 666.3378846 4.07813e-08 4.07813e-08 4.07813e-08 68.19119768 4.07813e-08 228.274752 4.07813e-08 314.8284462 992.6319132 760.4553035 458.2933661 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1224.316262 4.07813e-08 58.62476671 567.4503628 4.07813e-08 1593.587539 160.2483089 298.086027 683.3063235 294.4035904 4.07813e-08 232.8542312 351.8080969 720.227343 197.0573745 137.0770551 4.07813e-08 309.3205227 4.07813e-08 641.1739534 609.5571753 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1-Phenyl-1,3-heptadecanedione 1033.683761 935.7294875 969.7092509 519.7428768 4017.237433 3021.931767 1275.654672 15925.2598 7187.146464 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 385.1260103 759.5101797 955.6296196 732.1350119 2396.026328 1351.353504 676.5344681 168.6808159 1336.984341 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3634.072718 4.07813e-08 469.6710618 1878.71099 242.218103 2916.553738 396.7398801 125.4837525 4.07813e-08 459.993629 3236.991239 1437.862596 3306.282196 8446.379822 9629.022899 1311.463231 2132.812791 3272.363531 NAGABA 3388.558182 1056.556807 4991.002237 2413.262517 3892.204809 3773.098884 3321.925146 2510.431669 13353.7771 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8400.929969 13130.54769 4431.301475 2394.871758 2627.69807 9451.891963 5598.330996 545.8540401 1150.367624 4.07813e-08 927.2155692 4.07813e-08 842.6202181 4.07813e-08 4.07813e-08 946.7713709 4.07813e-08 4.07813e-08 677.2797533 6722.009905 1014.288128 6694.873725 4639.751533 1375.770814 6620.774684 1125.119365 2072.428878 6713.865907 3081.988579 3824.227337 2992.819121 5630.303056 587.4377484 3956.13909 297.8586942 4954.824473 17alpha,21-Dihydroxypregnenolone 4786.568277 618.6215595 7197.744135 1701.931617 1927.667243 14390.37832 1419.114331 2988.852566 3456.517919 186.8340076 4.07813e-08 57.98079526 4.07813e-08 74.33765655 143.8560163 4.07813e-08 519.5302751 100.1615317 5156.682502 1389.60176 16058.04631 2866.714919 2982.691415 3391.144295 550.533708 5714.59883 8766.493485 4.07813e-08 4.07813e-08 202.9880267 4.07813e-08 183.6793468 4.07813e-08 4.07813e-08 156.9270822 4.07813e-08 11644.48456 2174.993947 15545.74609 4480.119675 3054.609896 2718.320633 3621.217483 3951.110023 4815.980791 584.8886236 755.9800488 1951.72817 7765.926651 1919.932978 81.15412026 364.179144 81.47121875 1425.977105 11,14,17-Eicosatrienoic acid 1726.019354 2737.787471 7292.021313 9842.198059 11942.923 14463.29563 6683.692497 5483.304179 4172.968103 4.07813e-08 4.07813e-08 58.28736765 4.07813e-08 74.113787 4.07813e-08 4.07813e-08 65.29141338 59.84938485 2418.285159 2663.12766 3332.133886 3902.012552 4324.334383 16504.13419 3408.719835 1156.512663 6217.322785 62.83026002 4.07813e-08 72.9014585 55.45616609 68.48375314 78.1165843 4.07813e-08 253.2882975 4.07813e-08 2247.88412 2302.629286 3222.951929 8182.223509 5999.486784 3146.790019 17657.48444 682.2810576 3728.966138 978.6412042 650.3994223 1653.986549 1118.711406 1530.457368 4.07813e-08 5353.728803 4.07813e-08 5640.517661 C8-Dihydroceramide 47617.42386 22444.46383 70051.1994 27151.72573 72176.65812 29904.75421 30993.05666 32178.01143 125422.9607 1137.41869 4.07813e-08 268.729231 607.230335 516.6507494 1475.51024 4.07813e-08 2593.917197 302.0284781 53009.59064 59970.47372 28728.78604 17273.75936 12799.15956 26850.72891 34704.39422 18591.65654 21931.83154 4.07813e-08 21507.38843 4.07813e-08 19292.64006 4.07813e-08 4.07813e-08 26887.97874 51.63163682 4.07813e-08 9299.835541 38607.09385 20730.73057 23838.30255 19022.98723 11304.38915 26871.44524 23207.61454 55163.18328 43654.65494 28468.81525 31020.11492 28565.65399 36323.68598 18222.55884 38967.00548 6335.048235 34777.69263 Pivaloylcarnitine 1313.348444 336.1934302 846.4232286 1908.255723 2075.157162 3040.881689 2351.917063 405.6959105 117.6970316 137.3000664 102.8941142 684.1452459 50.42901643 678.1856024 169.8634727 4.07813e-08 4.07813e-08 179.394493 4496.077434 4100.927647 3412.159999 3342.859937 3505.00136 4649.754107 3809.653883 2540.808333 4030.501035 304.3559201 1150.829685 777.6970599 911.8657091 1199.719594 721.6366605 625.5816915 51.9733845 589.3762871 3561.866469 2777.454074 3298.204226 3831.183624 3571.971485 3618.628017 4533.019198 2401.909844 3174.517751 4213.142613 3607.699415 4098.84211 2653.939815 1813.939518 1484.936856 3207.775554 651.6324573 2556.566957 (R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol 4.07813e-08 698.399511 278.4781007 0.041443184 4.07813e-08 320.686953 4.07813e-08 4.07813e-08 771.2074898 1071.656761 1.985934466 4687.793425 833.3330896 5969.357937 6195.625776 1319.793697 6.446117633 2748.662668 277.5998257 248.7557813 312.2445048 0.47063313 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5096.026363 123.2412321 4592.354046 861.3426636 4.07813e-08 1241.483467 206.8337796 577.0077898 284.6629149 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1403.351541 223.8544189 1165.019402 154.4754386 2704.147426 4.07813e-08 387.1270103 4.07813e-08 2-Ethoxy-1-methyl-4-(1-methylethyl)benzene 15545.79734 15397.46595 15209.9424 14543.22796 14617.00239 13334.78468 13263.21536 14425.48151 13707.37373 9935.784008 9272.094996 8671.322161 9284.24621 9811.172104 7839.330117 12327.17501 8536.974976 10706.54166 10532.88801 10961.43904 10297.28787 10515.04358 9595.750487 10091.81193 11229.85414 12035.77198 11409.31245 8456.11723 10025.50116 10425.75861 10277.43561 8721.043853 9888.418919 8380.648231 10794.48034 11013.23784 11532.78953 10655.64753 10808.55853 9665.324537 9394.891498 10594.61444 11457.03344 12865.44496 10877.10527 11403.04449 11328.54891 11011.27896 10776.37308 11134.08224 8113.444408 11811.53857 10904.88076 12821.99447 methyl 9,10-Epoxy-11,13-docosadiynoate 2052.205536 5991.10203 6712.933955 11933.60227 8123.784409 13741.4514 14840.3791 6239.55215 7418.605417 89.24520958 0.65143212 0.090613564 0.986273093 0.074367435 4.07813e-08 1.227113829 4.07813e-08 0.023355101 10934.58161 12321.67478 5508.056986 7023.648782 8070.323179 15599.2405 7278.700317 31195.49306 34743.43171 0.788190542 0.148375303 0.451385377 0.385566133 4.07813e-08 0.062666922 0.521891992 0.041090647 4.07813e-08 6767.680049 8575.052233 7586.167296 9530.274565 12182.89233 3290.473791 14806.93799 28785.25324 9810.715678 43621.04199 12225.55531 9160.946031 8423.955073 6435.743949 722.2655306 7235.178995 4.07813e-08 25020.08169 (3-Methyl-2-butenyl)-benzene 2011.432344 1061.546127 1975.184005 1429.778339 1828.396156 2335.731274 2114.957913 2167.922205 973.7936873 500.9974245 353.6537374 353.4540559 428.203349 396.106191 471.6400115 434.2469367 504.1441074 633.4094931 1475.08421 3172.396019 1602.380036 1661.668589 2741.215159 3702.151656 1981.113054 1168.575608 1189.557065 325.4442234 383.6327265 521.8327017 471.6276294 305.3163428 397.0576815 350.0369048 670.9085256 509.4630182 1350.652862 1937.239829 1934.770683 2455.507739 1643.991222 1961.518473 3401.506537 948.1574524 1135.98726 7220.886841 3157.168448 4514.073615 2060.186017 1520.677797 344.8440505 2314.335937 592.8962144 2247.077865 16-Feruloyloxypalmitate 4.07813e-08 820.6143552 1944.653396 1732.854707 1954.144468 2471.670165 4745.933978 515.4486832 250.9714587 4.07813e-08 4.07813e-08 126.269591 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3732.061585 3968.991043 6822.35672 4932.895122 3215.034488 3851.323724 7168.694242 1164.72238 3193.711821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1138.777146 5662.202018 6081.055131 7803.492192 2056.818651 4373.471576 3478.136682 1636.702789 2933.626649 8265.330741 3333.537542 5414.748881 2033.497107 2692.905577 4.07813e-08 2538.050743 4.07813e-08 1630.296202 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21966.86112 4.07813e-08 85943.92024 21810.69759 86296.59317 88534.1783 18346.38557 78536.01844 46926.77648 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20697.23209 57812.76429 17913.1178 63918.12738 17602.64379 4338.121047 42920.66894 68984.3446 58507.91616 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1800.967389 4.07813e-08 470.7605542 4.07813e-08 9019.155642 4.07813e-08 3810.265315 4.07813e-08 2-Hydroxymyristic Acid 29988.82537 29570.82685 29077.2182 29128.47946 28135.7848 21542.76467 23878.96535 25460.16531 28487.4477 22707.73378 22280.95069 18113.40795 22047.82674 17252.06848 15361.8196 22707.67597 16603.75247 20598.03337 16894.27097 19176.66618 18303.64544 18464.79857 19174.56399 18281.09914 23152.80868 26444.21541 23988.59112 16492.8458 18172.57203 22387.03087 20512.0603 19841.91415 20393.11714 17494.43333 19188.46272 22254.8666 20333.54699 21104.01679 18951.31442 15517.34808 20299.44826 20598.91863 24300.2426 25417.14195 25804.62628 19123.18886 18151.7659 19420.5809 22375.40927 19357.13889 19134.9042 19793.7709 24537.0529 25560.76738 Callystatin A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 196.4541428 4.07813e-08 4.07813e-08 4.07813e-08 683.9118656 4.07813e-08 4.07813e-08 4.07813e-08 193.100021 126.4738778 132.3708608 4.07813e-08 159.7362536 367.8192987 892.3815391 935.3001271 698.5383035 378.5074547 205.8256806 1312.746659 4.07813e-08 1106.441374 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 137.0184172 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 370.3788265 183.5151565 197.2176174 4.07813e-08 481.0789187 1269.925236 7883.961059 133.678288 4.07813e-08 4.07813e-08 150.6326744 364.7510986 2234.949178 4.07813e-08 3-Cyclohexyldodecane 2554.712995 2537.582158 2194.461514 2430.91876 2006.424227 1412.550626 1875.870448 1952.080046 2193.377158 2535.779947 2828.963435 1343.94335 1977.941067 2840.392405 1256.261508 3944.585946 3498.766922 2796.015705 1558.11927 1324.760675 1540.674466 1357.170734 1481.498711 2001.014138 1686.58382 1462.19489 2097.972736 1449.007481 1377.955922 1598.541649 1707.279256 1923.878137 1613.496196 1545.049675 1900.864184 2745.083442 1704.634127 1463.785764 1613.426737 1277.000032 1454.333808 2025.497715 1431.972318 1750.550304 1648.224455 1563.858407 1970.264775 1460.6042 1976.862505 1512.164593 1226.874787 1979.040875 2924.115705 2066.273465 7Z,10Z-hexadecadienoic acid 44632.05795 45765.44121 43223.57696 42380.11836 40336.38657 41795.56968 34229.49943 42417.18321 41145.96654 29564.59618 26396.78436 24643.57759 27105.96299 26308.85207 23110.62978 38640.37218 24923.99135 30562.39941 31612.75617 33092.53379 29313.07088 27710.05677 28581.85481 34566.94422 35191.142 45881.98317 33409.7001 24399.92901 29542.50687 30884.47542 31398.33143 26476.94325 30225.42526 26052.89765 34358.68712 32142.24637 32869.51878 29317.15556 29282.06097 27318.47837 30372.7705 30467.75122 38619.52225 43216.89967 35283.91714 37525.45315 33358.79003 31287.60912 34594.58831 32843.42951 25025.53577 34664.17737 35730.01074 39935.78219 2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene 3277.129266 4371.90205 2992.990213 3282.937822 3147.888354 3241.369225 3669.89943 2536.408976 3307.312894 2463.433587 2031.120358 2577.401121 1779.44894 2573.346516 1938.992366 1757.877837 2080.221099 2385.216596 2264.386371 2832.411983 1985.718627 2119.684915 2068.650617 2033.810593 2198.563625 3045.491302 3262.990576 2071.269571 2447.195509 2885.973617 2715.941443 2074.736568 2035.508492 1799.546944 4388.464659 2917.920538 2288.488381 2269.894344 2501.661986 2261.287289 2548.224288 2168.301395 2733.031967 2302.682913 2690.269072 3727.384888 2734.47698 2366.913926 1734.482482 2415.68043 1734.206074 2253.173124 2530.616246 2772.960103 2,4-Diisopropyl-5-methylphenol 13213.05239 12137.05598 13536.33716 11481.53643 11465.45381 10031.26887 9898.316615 9702.629666 10264.56483 16094.72287 16322.26937 9905.165379 15625.6419 11859.7165 8179.230246 23320.44945 12647.35893 9732.497502 8301.93234 8381.492102 8033.583241 7590.041546 7241.50693 8214.705772 7836.404225 13522.33911 8874.605124 8107.888043 11106.82712 18120.43234 9902.497463 12368.71801 13690.39065 7604.231058 18538.0624 10915.89411 8601.040688 8296.741236 7928.726571 6947.331109 6796.771821 7245.820609 7868.568277 14147.1259 9588.236429 9420.293674 9946.905824 10097.16656 7912.067873 8777.546466 7505.626195 9881.509198 15844.65405 10488.81611 Ethylene brassylate 5820.472301 7504.743121 8959.837034 8574.051337 9379.829178 10327.10763 8106.633594 7113.415129 11168.59944 17747.66037 17675.00106 15870.64567 20415.44756 17400.07035 15311.8164 21137.68219 15142.16957 21172.15785 16040.3525 14036.41956 7309.553167 9018.821362 5506.855507 11501.20884 8027.721989 16426.4872 5265.892997 11351.43631 15534.99922 21359.20132 19280.50119 21420.50783 17636.59275 14152.05582 10809.41283 17796.21637 8801.588536 10652.99423 6719.600132 5591.78026 6018.656093 4501.61766 11277.36447 13358.2663 4702.202606 15544.9529 19712.70142 12217.22602 7013.357931 5113.385919 13843.54457 10822.84267 22572.30918 10734.81999 5S-HETE di-endoperoxide 40491.91343 38406.97854 44567.70572 33646.91246 36471.08166 26868.35557 42584.74062 38360.09205 39072.51458 29182.50149 24109.61281 31765.88591 32112.40039 25652.7219 20983.60501 32198.06134 23411.83463 33122.4258 28397.95311 25016.82779 23396.80071 26186.17323 24220.91187 20213.6107 30468.88536 33578.04135 31802.19978 79927.47321 77383.47763 26926.38066 68495.88962 22475.12839 26536.00561 27204.52887 49244.26617 45847.16592 30210.22647 24827.36529 23914.58592 25672.0592 38821.31605 26456.6464 21802.10744 31116.60281 28087.18727 33059.81498 24100.2878 105286.4391 29253.29336 42629.85553 21900.26032 33993.63369 31034.91424 33096.05647 5,10-Pentadecadien-1-ol 8205.922512 9183.887683 8682.183641 8204.347056 8471.063766 6230.539044 6795.590326 7674.735532 7473.924553 6093.19598 5687.650804 4976.714366 5665.956486 5962.129569 4523.377167 7280.781763 5270.83219 6053.113306 5610.574097 5637.447189 5551.895233 5175.972662 5492.711258 5397.928614 5116.999175 6292.942194 5900.920162 5812.309544 5755.204937 5749.891688 5912.559758 4914.818513 5494.682442 4600.662484 5491.533248 6052.568909 7317.49604 5888.741414 5434.807231 5419.789803 5024.216325 5685.174603 6207.909633 7122.403124 6691.968754 5995.109011 6113.358995 6040.224017 6160.03419 5840.79934 4859.439343 6769.406938 7063.450442 8206.529756 1-O-(2R-hydroxy-octadecyl)-sn-glycerol 57069.20625 56962.57968 58505.90695 64905.83895 60184.40971 58434.17322 67735.44421 49220.16568 52327.45743 34618.9368 35718.66471 36541.59669 39290.21439 43069.61914 41228.35513 35983.85815 31466.73466 33850.4779 38728.15622 40160.22097 40456.88447 46552.74763 43859.56075 55887.74179 41610.72815 41658.87917 45754.82306 30870.48712 43033.45032 50386.22969 56481.92782 50099.53561 32279.78758 29862.04175 34572.78829 39722.42213 51583.08827 47540.86723 51963.47716 47504.09019 31836.14485 33478.2198 37239.20412 46899.01698 41907.06248 52843.22755 52464.82156 53593.75471 41160.54054 40985.93553 29497.37544 45746.64623 37929.90933 54696.9955 1-O-(2R-methoxy-hexadecyl)-sn-glycerol 175327.8251 158953.001 154414.5053 156698.1874 154150.3195 136571.6523 136740.0515 146034.1788 158183.0226 104558.2146 100522.2072 99053.29419 98325.85639 115931.262 86949.39353 125218.358 96800.52915 110468.2348 108736.6551 104445.1617 106520.8421 109456.6253 100458.8823 103310.4558 117330.6453 131546.6621 121408.4404 93177.74566 106153.5789 119023.5172 115077.993 103575.9742 99190.64233 94269.76982 116016.34 122628.2995 123991.3876 113083.693 113135.3153 104350.2475 93580.88191 108913.4819 117809.1483 139984.5958 120118.8129 129830.3437 121288.7432 116691.1267 119069.1392 124925.5613 94156.71845 122843.7798 123876.1893 148784.2855 cis-gondoic acid 2290.113996 1745.838234 3398.080946 3469.306489 6054.8976 3646.242339 4993.175917 1028.113073 353.005149 45665.39122 32543.24873 2630.158842 24342.21699 22427.98014 2417.518608 22179.07009 25025.08996 42914.26085 1323.501748 1791.38496 2445.339502 3049.612919 3368.385805 2651.046617 4.07813e-08 1604.135624 1081.84638 1965.603233 3308.553232 9493.174357 11467.20732 3381.014157 1096.728157 1275.799353 4993.42204 23012.52171 2493.322714 2565.885305 2628.819049 2073.130684 4.07813e-08 294.9566679 2372.517908 2064.55023 2348.370178 3166.137899 2648.355324 2845.292777 1502.910623 1959.518558 1168.972028 912.7698126 57235.17761 1562.193922 alpha-Triticene 3633.498744 2430.298211 2705.065249 2987.504087 2616.092446 2353.638273 2875.07403 3053.816861 2236.262149 1776.638771 1586.51246 1666.109666 1512.679776 1873.683484 1755.077049 2968.663137 1734.058315 1545.129309 2112.960261 2466.442475 1645.68693 2309.644175 1925.113845 2367.564144 2019.541179 2914.516296 1685.613378 1497.746231 2165.41935 1850.714148 2221.748804 1862.565257 1198.04915 2125.179954 2001.157371 2157.441709 2934.857043 2117.018218 1855.895858 1710.360657 1659.422922 1952.274649 1826.608736 2206.825915 2483.71631 2155.632181 2108.355901 2093.490429 1350.531261 1398.134213 2040.828192 2182.012062 2206.289617 2470.158368 8-Hydroxythioguanine 35560.87173 39335.11779 19882.93961 24334.92362 17670.67669 18595.01378 30822.81971 53491.46377 74750.97457 23143.89883 35970.4812 40133.30556 31780.56191 25909.61895 30152.91228 29002.78828 35163.70535 54234.31914 9887.435055 10157.67527 26373.24865 4984.367401 9109.973342 9560.801717 22504.92618 11819.40039 11300.54154 97569.04978 35160.86755 32492.88533 66698.79238 31113.81951 42380.07083 32558.31929 44186.84331 27532.38912 31371.90458 12128.85843 13006.93038 15424.28601 10940.17098 8353.046835 12765.59925 12381.42311 6867.927716 21454.72506 27846.78457 26113.54014 28680.78787 38366.07188 22717.15102 33340.11045 76803.8329 22622.51735 3-Decenoic acid 78.8494972 4.07813e-08 555.2166688 346.1171707 849.9636631 517.4589912 879.5653577 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4319.250665 3295.46718 2854.264862 3721.575084 3852.102711 3964.51034 3289.582672 5365.043079 5126.939952 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1649.753117 2497.128626 2390.408912 3056.948043 4183.51636 3706.843815 3878.658128 5069.578145 4981.04525 2172.849406 1722.916717 2306.842613 2227.527143 1245.971382 4.07813e-08 1655.876907 4.07813e-08 1975.342486 Semilepidinoside A 706.0615784 1126.007428 1148.150047 2820.393506 1849.865843 1495.303455 1836.087271 808.7022034 510.6643114 37.63403418 369.0070238 4.07813e-08 24.4646739 4.07813e-08 28.65369776 251.5449143 253.2903641 4.07813e-08 8279.94213 10002.15602 6142.156785 7322.439047 10835.02536 9308.447928 8880.13222 8362.745442 10117.14291 369.8418056 7.728841555 30.59031719 4.07813e-08 1484.182919 100.989825 367.1094275 14.40738223 4.07813e-08 4584.171372 5134.716687 7104.634338 9107.50104 9006.11217 10569.03509 8278.560895 10239.16376 12674.2578 4612.131547 4138.225425 5800.465057 4359.183002 5367.907038 599.7911156 4677.842347 4.07813e-08 5080.455989 Phlorisovalerophenone 5172.066868 3301.901413 4303.954258 6213.55124 12481.49374 8711.694653 8676.211468 280.4888379 705.7442859 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 111.1568423 78.78878261 105.2092065 27666.24716 15335.99735 10246.87909 10617.58782 7896.245916 16052.4321 13325.58512 3965.317111 20028.70623 63.85453999 4.07813e-08 104.0861113 4.07813e-08 4.07813e-08 4.07813e-08 101.2312203 4.07813e-08 4.07813e-08 4961.023503 2830.800885 4923.350886 13039.00429 13175.43571 11157.50124 12793.56157 4816.519272 3215.70082 11502.35571 10254.42342 6212.900156 7215.579646 4139.236854 4.07813e-08 8599.796534 4.07813e-08 11274.45771 Thujyl alcohol 330.4257954 581.9003649 313.017637 693.1364718 740.4932708 231.1088254 366.5276277 745.1525895 353.2769593 304.6938198 405.3152179 362.3015979 255.5861282 378.1372875 192.1040801 616.2115778 399.1147 216.0648326 502.9613963 354.1123011 503.445589 310.5479377 120.9240482 295.9346259 473.4449871 327.1640098 575.9645563 244.3868341 357.0591894 364.124931 428.2120684 255.637764 413.7519555 453.6942176 448.6426805 371.0779877 166.6032783 322.3099444 532.4746864 371.4212447 324.5711835 322.9505993 254.1878251 709.3661184 484.877342 413.5236307 382.8479811 243.406914 200.8061717 387.3926835 222.40437 353.643495 420.652708 304.1732394 N'-Formylkynurenine 2031.300752 2183.631238 1959.687531 2604.77619 2925.829938 2008.940922 2165.510962 2174.853099 2722.290703 484.9619147 266.5195484 82.69648928 440.2124964 179.3346283 563.1448722 38.16604592 481.2825826 498.8386228 4484.131296 4989.48127 5378.491329 5426.511408 8445.779567 4522.431437 4961.62047 4912.797637 5044.263153 695.9851574 811.4435916 316.864662 294.5981885 1357.352825 252.1523856 984.0450838 4.07813e-08 424.924077 4836.799404 4379.413017 4662.55107 6165.512252 4526.641597 6304.450933 4224.448729 3606.076006 6021.820576 3160.631612 2267.189889 4813.864317 3958.526495 4158.657896 1841.935707 4490.267527 328.9537802 3662.109794 Trp derivative 1987.55673 2227.050207 823.0179428 2142.570581 1414.44514 1736.175086 3417.285249 947.4438016 601.3009671 6102.230374 6990.79423 7179.0878 5652.357329 4801.512992 8835.018341 3558.917268 2253.208549 5084.891233 3443.981952 3594.455815 4131.161998 2280.762749 3605.603495 1550.86186 2139.22662 11694.38504 1342.684577 7524.754202 7859.11511 6848.736345 6732.415733 10640.60515 9222.759164 10748.8501 4018.065068 5310.571665 5556.20993 2843.762468 3981.639232 2223.036556 1434.789095 7444.396953 1446.740618 12332.82557 9852.74971 1654.978721 3270.741143 3372.719603 4356.401468 7010.383267 10493.14654 3901.67853 9982.566928 4518.462752 1-(3,4-Dimethoxyphenyl)ethane-1,2-diol 2946.421745 3014.019665 2749.557776 2924.42248 2440.699489 2122.046683 2444.7306 2442.702107 2553.616179 1630.035353 1169.167373 1723.339237 1583.71881 1728.852028 1201.220317 2146.136748 1500.727757 2075.044743 2178.362353 2362.931958 2126.974215 1911.258268 2486.865237 1859.198099 2598.379568 2666.567759 2332.095849 1321.146053 1501.160397 1259.095447 1568.972206 1505.512634 1579.747843 1726.164778 1684.910969 1726.67076 2299.980007 2111.760933 2103.661702 2259.81435 2134.854261 2374.833833 2427.795838 2891.93738 2289.257164 2156.429266 2092.910594 1711.881021 2272.197117 2097.765479 1183.316549 2269.179886 1620.692966 2455.710857 HDBA 4137.768619 5462.130848 2094.023153 1586.217654 1200.725828 3388.274136 3628.437182 6892.083762 4883.154837 5869.385243 3991.262178 1694.055289 3699.114511 1382.36798 2610.954465 769.5229801 1950.630539 3853.041938 984.4783274 2003.884412 1149.056051 589.5198914 1244.203968 646.9207832 262.5352479 854.1065971 1624.448751 3528.450056 3309.9838 1262.785385 2469.643643 3560.129842 2326.916436 4658.811791 800.6558395 397.9716047 101.5261185 911.451726 992.3419496 1319.067671 363.6859463 228.7365564 536.0095723 1031.379235 461.2332297 1835.502211 738.9766056 1521.275111 1308.405887 2971.016899 5118.613097 1486.939028 3282.10041 1132.137301 2E-Decenedioic acid 3054.329083 3219.332616 3051.915345 3197.34017 2962.771856 2217.152184 2439.004809 2724.37896 2771.704795 1959.687749 1920.989323 1557.112499 1934.044707 1887.013719 1322.887577 2518.239154 1537.083816 2210.273692 2169.204592 2222.743256 2201.653954 2138.215843 1957.635373 1788.309763 2294.49458 2624.081755 2573.754147 1676.555526 1849.313813 2262.333387 2013.321069 1602.319005 1954.797004 1696.408018 2310.804158 2160.403423 2332.456812 1929.443104 2364.003896 1786.287189 2046.450469 1853.881869 2423.039474 2366.07906 2598.237556 2410.077977 2332.734068 1978.271815 2533.252369 2327.860688 1581.573914 2325.813838 2265.553188 2484.614223 2-Nitronaphthalene 696.9716916 779.6978298 621.6346975 1226.607877 1202.138447 467.6366672 819.5261506 341.4628888 265.4696548 218.5313037 4.07813e-08 84.79856867 159.1737049 73.10088089 23.35773753 4.07813e-08 4.07813e-08 4.07813e-08 959.0781922 2984.115223 1290.961741 2082.795068 2369.687075 1868.756377 2335.936553 1369.480206 1890.333493 190.4314854 30.02885952 38.38814321 4.07813e-08 4.07813e-08 68.2118382 197.4913811 125.7924502 32.23949903 1110.136026 1618.003696 626.0845857 1308.655526 1326.938074 2493.912537 1876.574905 1941.11217 1188.327857 1417.047614 956.9915647 529.3636082 514.0584705 677.0211678 120.6368164 658.2412525 170.2007726 509.6813697 Fenchol 15400.12555 14810.37791 14855.01157 15101.1342 13247.13244 12083.10998 11581.61031 13970.76105 14474.19049 9179.502164 9184.046667 8024.802721 7981.629948 9241.584992 6979.071499 11808.58467 8909.009416 10183.13456 10135.42767 9970.056098 9754.261192 9304.16318 8310.706307 8837.739023 11146.6411 11971.00447 10996.88515 7819.373711 9515.876215 9741.902203 9829.391913 8130.211216 9212.896577 8686.008755 10404.7014 11178.47036 11513.0394 10138.26932 10137.52384 8376.69002 8284.556551 9838.467287 11150.84644 11946.91176 11391.90447 12031.29621 10253.16884 9767.062247 11139.02352 10436.0858 8291.06933 11655.69474 11007.90492 13993.51181 6,9-dioxo-decanoic acid 5609.606837 5270.856082 4850.935942 5364.064215 5112.68909 4468.396621 4693.523988 5469.948065 5655.375036 3184.93968 3535.085605 2965.846967 2938.868635 3243.041599 2320.743758 4569.017398 3248.987144 3570.480533 4295.616236 4280.183384 3911.220896 3859.961151 3939.904665 4022.090338 4772.798367 5365.182806 5470.949845 2929.577401 3392.683874 3640.022854 3484.666898 3145.767144 3415.667977 3367.187127 3739.720236 3928.211794 4284.819353 4339.345215 3920.631479 3435.932519 3779.65685 4340.585553 4071.960809 5546.540279 4878.916235 4526.692723 4091.743138 3848.064341 4576.047535 4453.106123 2983.491141 4284.789658 4034.908648 5407.286381 6-Hydroxy-3-succinoylpyridine 166.1383821 542.6438231 285.5077685 541.6210624 923.7324263 707.1967018 566.373363 405.5513713 152.4197369 155.9654491 112.8889121 209.4889687 244.8910692 140.2729364 57.02339733 4.07813e-08 4.07813e-08 179.3013758 796.9535891 923.0818467 917.5675737 760.033535 683.7437863 784.6571362 625.1876279 1181.113278 969.6726715 137.3788415 37.85589513 235.2434066 74.51527988 217.5779144 406.6567727 207.2510759 4.07813e-08 41.44946998 550.3410132 558.5264068 647.112131 738.157155 680.4432452 724.8505052 483.5101422 957.9791697 964.6808869 1192.243709 997.0170589 441.5765141 554.4259052 610.8709656 231.3953531 639.9430485 4.07813e-08 695.6378898 Glycerol tributanoate 3249.977407 1230.334865 3051.837436 1481.486143 2142.410113 6849.731149 3190.518385 2448.462253 3660.752626 80.51897118 148.6402557 127.5378146 4.07813e-08 247.5739357 4.07813e-08 702.3205479 4.07813e-08 4.07813e-08 1223.94032 1804.430498 5169.766718 505.7537706 8282.992841 10477.7102 3772.793184 4611.523489 12303.13512 4.07813e-08 4.07813e-08 606.8167716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115.0641709 85.31180781 2855.802783 2539.578055 7887.943872 989.6409824 3840.674652 9547.962047 7655.367912 3732.815022 3762.053061 1661.39955 2466.753762 2069.419112 2035.476715 4.07813e-08 1148.615945 4.07813e-08 4.07813e-08 Cyhalofop-butyl 137.9258626 1567.682926 107.4738614 4.07813e-08 4.07813e-08 4.07813e-08 94.88883715 241.2599456 373.0209668 8990.770297 5640.013761 5865.075078 8515.61687 7051.3023 6583.169723 3899.569193 9556.645948 10330.92985 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9033.632093 6890.135137 9948.016887 6084.408252 14681.08414 9699.83272 5757.174851 5389.840304 6860.894027 2262.704789 4.07813e-08 175.1305889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 920.8748728 1459.537647 17246.78714 474.550192 3579.363538 4.07813e-08 Butyl undecylenate 16932.9427 16190.79225 13783.48791 14716.08372 14101.19664 11833.8393 11882.34159 15880.55343 15984.0688 9448.437529 9189.850784 8702.081398 8639.977209 8974.080778 7083.004485 13597.01145 9855.016625 10498.91673 10666.49575 10326.53857 8187.337852 9484.444107 8549.546582 8378.131867 12113.70308 13606.71051 11557.81373 7441.458792 9544.837563 10107.13408 10119.50101 8140.127691 11860.22992 9008.93572 11519.16931 10903.03871 11455.36019 9793.752811 9488.692579 8080.481739 9613.054048 11253.0186 10864.27326 11894.86146 11646.28974 10493.28942 10311.14941 10158.45085 12642.55384 11670.72465 9030.428867 11700.20551 11330.86799 12791.86043 Darlingine 2695.920536 1367.922727 2514.648963 2279.547296 1493.587787 1115.566153 1930.320628 4765.068389 436.1214996 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4430.579748 2791.784551 3199.691321 4436.371118 3686.182798 3340.247419 4568.798681 5568.876486 5393.675355 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12602.27465 2457.228952 3891.741226 2729.015171 3689.630212 3892.617523 3333.512904 4782.499387 5543.816016 1961.607404 1785.657048 2087.880003 3048.884253 4107.623474 4.187841271 2649.199102 4.07813e-08 2375.145073 3-Indoleacetonitrile 980.2919611 1182.754399 573.907991 668.6373093 80.46065173 158.4557345 588.1862253 955.921826 1591.234666 1465.058919 1046.566677 1835.182694 1148.10058 1168.982274 1791.787717 1527.965391 1621.951168 2887.735503 143.5555072 27.96532944 30.00283058 4.07813e-08 4.07813e-08 72.00638916 72.9002819 81.45140082 50.87981592 4310.006499 2035.535048 2421.530612 3337.513069 2056.973745 2103.953513 1981.513017 1758.978203 1796.77193 1442.978433 91.60339585 45.85653816 62.54834301 4.07813e-08 30.15647656 64.77824306 137.8756939 4.07813e-08 65.12046901 779.4841585 428.2650267 506.9962747 653.71565 1071.029893 469.5196202 2516.586255 106.1884562 Pyriminobac 5732.149548 3900.17973 4062.731362 2531.375787 3790.588475 4602.720845 3366.520401 4134.352227 3819.552553 2917.201019 1900.762201 1633.506018 2638.87937 1154.61706 1934.397861 233.1000989 1171.706029 1469.230313 9634.236497 8123.621903 6198.987217 7210.635581 7593.34423 8027.335205 7410.230314 8563.254556 9615.48119 2341.368888 2421.826626 1749.159463 1782.640579 3500.439375 1167.697125 3270.697779 536.0634834 1039.529108 5562.325877 7464.48125 5850.775655 6355.867891 8092.490783 7550.102889 8063.144621 9510.342056 9391.025473 5943.281762 4582.826979 5549.629115 5737.720653 4604.544826 3698.939613 6073.157296 1751.468932 5792.471378 2,6-Dihydroxy-N-methylmyosmine 4834.103269 4109.429833 2863.262277 4602.863609 2700.828135 4545.541337 5023.843871 5713.458473 6914.533602 934.3819177 654.4337499 636.1796372 503.1814833 164.2464768 793.183439 112.9731713 84.91407039 37.23297487 2838.899888 3122.421377 2262.689896 1626.035448 2182.204811 3202.019672 2243.799581 2853.750261 2612.156313 252.1059868 428.3962153 406.8432286 572.982097 130.9466083 231.1754764 554.9296892 268.9816016 252.9957775 1862.782689 3074.431712 4112.773317 3426.739379 1839.997406 2067.028423 2936.953467 2735.667871 2672.105813 1353.054885 2925.638791 3248.570161 4302.910736 5285.571705 379.6777224 2862.171617 841.4376989 2118.445513 3,4,5-trihydroxy-6-(1H-indole-3-carbonyloxy)oxane-2-carboxylic acid 4.07813e-08 1053.229489 335.452209 291.8057585 218.5607287 4.07813e-08 1078.001632 4.07813e-08 209.0147736 2915.53546 3211.244757 5703.887527 2790.283039 4470.180909 2020.97378 3202.271251 1439.065271 3140.580432 4.07813e-08 4.07813e-08 4.07813e-08 105.2755118 4.07813e-08 4.07813e-08 107.7884794 4.07813e-08 4.07813e-08 2278.849776 2232.940678 5373.292538 2213.223763 3332.219017 4698.943055 3886.268831 3822.585363 4762.934122 1999.007585 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 159.3062635 465.0256764 1124.369561 3417.910886 340.7610226 2937.012923 127.1712822 Penicillamine 1201.458869 1669.452507 888.1906799 1068.752592 752.2541053 852.3413181 983.1072906 2080.853844 3138.806468 755.2544113 1343.268549 1432.590846 864.2617069 569.6424391 1405.112925 3564.324228 1564.025243 703.375926 1025.560788 553.7743567 415.3023072 337.752731 442.5593474 716.4836164 465.8830033 365.2126696 406.0340814 6112.445997 1801.172054 2686.937341 4200.072632 2664.312015 3581.041492 1847.198274 4707.797145 1942.400243 1069.384437 509.8445941 553.8003294 702.1125279 622.6215933 582.6528995 973.3748951 621.5330598 100.5811178 1239.182069 1182.936699 1419.323646 948.3866358 2106.734997 2240.372934 1390.72704 2863.266887 807.0403706 Dinor-7-NO2-CLA 1210.562355 135.8075997 1378.764069 272.1728691 1142.447452 1188.819492 1162.480698 623.6812869 706.9447955 4.07813e-08 4.07813e-08 152.4826235 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2033.585647 1860.195237 1652.362024 1981.129155 3020.789108 3180.899406 2625.851819 2312.676758 2932.006284 4.07813e-08 4.07813e-08 4.07813e-08 91.86297365 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 912.2436134 1946.590855 1247.619154 2034.518151 2821.980107 2706.718585 2825.054788 2609.391785 3050.052075 3082.769662 1712.491544 1451.672781 1483.010328 159.0553859 4.07813e-08 1642.298823 4.07813e-08 2072.933797 (4-ethyl-2-methoxyphenyl)oxidanesulfonic acid 4.07813e-08 3324.393995 157.3493659 145.4818625 4.07813e-08 94.22730181 321.4931296 122.0905008 122.9253393 5133.414447 6793.62255 7158.667814 6708.161171 9406.827363 3129.494898 4312.572154 4792.99322 6491.030652 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 57.97440513 4.07813e-08 4.07813e-08 6063.227875 5139.782697 10773.20827 2923.651644 9267.144832 6214.441644 4207.662286 5528.378123 7315.076096 85.13123229 76.35676858 4.07813e-08 57.63560088 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 355.6527621 4.07813e-08 4.07813e-08 4.07813e-08 1280.426101 6165.494908 100.9842602 5190.843465 486.9967975 L-Olivosyl-oleandolide 322.6986894 3536.893647 4.07813e-08 1026.598285 4.07813e-08 512.6130273 6192.873263 1807.285141 651.7971572 28914.42189 28368.87401 24901.28612 28561.51591 8213.821344 24289.35245 11401.05577 9726.840172 14701.00247 595.1429266 778.4963188 303.2233256 513.0895014 865.0777234 24.04817047 4.07813e-08 20327.6312 5544.805613 24265.96303 22649.50046 10985.12949 17743.60682 12887.80349 20239.08063 45533.75093 7364.487826 19315.61417 4.07813e-08 4.07813e-08 377.0931606 1148.434538 201.0236621 427.7587551 338.2566065 17015.21725 23815.06578 4.07813e-08 4.07813e-08 4.07813e-08 1548.390757 12327.13879 32857.18897 1771.15471 31324.90024 765.5496307 Glutaminyltryptophan 10248.31729 12725.57528 6066.628341 10203.73749 7048.756192 5665.376955 13687.19274 17539.85142 14286.54124 2200.466085 2784.527904 3334.376312 2725.307716 1590.211351 2246.26817 1798.498546 3531.299386 1842.831112 3471.28551 3355.228825 3911.114974 2240.167707 2413.437364 1357.296018 2825.842394 3761.429696 2630.109961 2233.466168 1767.446816 1488.363284 2049.404535 2217.338064 2424.027908 3094.075458 2841.503128 1110.791131 4019.482641 3675.055296 4427.73457 3122.999054 1997.139695 1984.807664 972.858641 2066.854735 1417.883318 2853.179077 10691.51679 4159.385264 7433.3775 9371.246115 2333.157351 4090.775283 2005.824725 3508.527703 9-keto Fluprostenol 4.07813e-08 535.6579262 4.07813e-08 4.07813e-08 314.1509117 282.4306507 323.5786049 4.07813e-08 4.07813e-08 11169.29681 7669.38077 8693.19783 12269.18379 4711.82971 7475.859423 4924.967034 1633.981109 5311.808579 257.7174751 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 529.4841644 4.07813e-08 4.07813e-08 13470.80589 7860.113875 5114.341814 7444.198091 14265.50391 9071.296489 14370.76524 6271.509337 6762.524571 1391.885447 551.8801559 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 255.7400004 4.07813e-08 4.07813e-08 0.024975626 233.7809912 4.07813e-08 516.69729 998.1623085 8509.742961 4.07813e-08 8952.269472 324.9639724 4-Hydroxyindole 567.7378869 574.2899828 532.4412342 704.510712 458.6356984 222.084123 319.6021859 426.8021113 48.11110286 28.58768285 27.53156038 4.07813e-08 26.26473519 26.19385598 49.79700825 4.07813e-08 27.98849297 4.07813e-08 831.7735732 398.7424015 769.1440204 1326.943831 796.3197504 4.07813e-08 648.2150913 957.9173757 4.07813e-08 55.53667104 69.97492888 36.17832027 92.88758238 133.9303647 57.97082133 65.42736532 27.13500973 27.26019244 1321.371326 712.4162091 999.731948 171.7227198 1068.464371 1470.392263 4.07813e-08 606.5663825 1463.769473 74.45724076 35.24657498 272.3675646 1015.624195 761.5821728 106.8283 248.8838714 4.07813e-08 276.184206 p-Cresol glucuronide 3926.445468 7126.864216 14969.80612 7978.063639 5796.39414 5859.165653 8171.928738 7321.15692 6572.008565 61488.88565 64436.03327 37631.01246 47030.99647 47701.66801 15256.14508 20938.72539 62104.8606 71952.01993 4311.584045 900.9127657 17086.65111 21777.74303 1580.506994 4.07813e-08 2302.737022 9577.22219 940.8644036 129.5947894 58762.8615 49037.99334 28543.2467 60399.449 29174.43811 19868.45694 9121.175871 54553.81639 53900.82081 361.692652 1729.612191 698.1443953 1592.097 16228.85215 309.5281936 6963.517325 31096.19403 277.599134 2079.847467 3948.414875 3858.918943 13025.50733 49879.90335 4942.517261 54811.82272 567.788952 Linalool oxide D 3-[apiosyl-(1->6)-glucoside] 3776.137881 29372.55538 2454.588497 5540.617018 1372.751776 5492.123949 7195.138725 12861.1 13507.03323 13794.00666 13822.75349 22099.66313 20657.18117 22329.90713 5428.158709 2886.182235 2113.101938 2241.619216 741.5160161 366.1152536 1123.464222 4.07813e-08 363.2186446 447.0478582 567.2474604 1932.444432 234.6398965 15860.21319 1832.249048 1391.658443 2556.221897 1806.72672 9692.504335 1304.642661 7267.593637 3855.923471 356.8686325 735.4700611 1702.710362 2059.70017 12.42091235 897.5094493 447.0873926 1836.459259 292.5836975 853.6347371 7205.222521 6235.609955 14622.13798 42466.66277 3779.93061 4905.718432 45625.0842 6444.819284 Pilocarpidine 680.863975 598.3461115 942.0496029 404.7868892 1146.424477 1241.640398 955.5756192 788.2487974 598.4460889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2734.994047 2595.169929 1971.141284 1892.625725 3841.579408 4225.958943 2545.244555 3976.173948 4395.812221 4.07813e-08 4.07813e-08 4.07813e-08 1.265402898 166.6192516 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1644.806201 2257.61106 1773.241361 2752.88442 2557.520854 2726.066093 3960.1677 4030.254421 3023.609517 2538.507759 766.8122397 1662.335478 1676.696958 1059.472291 94.38609604 2289.10207 4.07813e-08 2036.088215 Lysyl-Alanine 373.1958592 430.1125139 363.0884428 168.3792738 315.0297826 206.9926396 162.8629724 450.688144 265.77395 4.07813e-08 4.07813e-08 42.11518941 176.5458107 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55.047367 650.8700381 551.3507362 624.6924259 552.4794378 809.3429237 542.2892167 419.5857709 648.6787256 885.6105586 124.2541775 60.48565051 4.07813e-08 4.07813e-08 134.589712 140.214401 4.07813e-08 4.07813e-08 63.02673599 353.7718778 366.3556905 389.1707174 487.509768 680.600632 722.327387 526.8750696 413.8984425 943.2556049 486.5822026 457.8357002 445.9051716 238.9354403 219.6379463 122.473285 354.9385352 153.7539426 369.6615313 Vicenistatin 8282.758167 40881.26808 7051.660099 7557.390598 2354.214036 3810.736867 16656.95048 20899.47462 17867.45693 9388.96058 34519.79623 32561.13138 10038.00448 44825.71884 12874.89001 1722.431801 2406.314162 54429.41554 519.0630934 4.07813e-08 334.5555533 1601.278532 4.07813e-08 4.07813e-08 2275.753192 851.1893643 89.178416 7558.760775 19565.31463 49290.32597 10153.17011 24693.12312 26195.03748 23429.91155 19156.19761 7816.58676 2456.928091 2025.131206 2070.463039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 612.0219499 273.2837915 4.07813e-08 4.07813e-08 793.4611689 3808.018776 8156.974246 17632.04895 2067.612371 3015.659461 4348.149223 11,12-Dimethoxydihydrokawain 2862.009403 2995.541657 3053.681507 5396.4444 3483.901949 4600.730562 6023.266314 2085.603074 5813.541225 1002.717675 894.9207618 3.729665692 722.2918145 125.4020205 3992.60667 216.1338375 4.07813e-08 52.20684627 3141.127816 2932.724111 3504.125722 3737.496129 3468.453484 5172.654679 4731.212375 2739.489868 1706.56932 5639.197948 726.4354139 185.6279325 1387.131293 224.4224626 777.1632369 0.007746701 1163.775336 711.790879 2869.692525 3008.265898 1895.955338 3082.015301 3918.661988 2237.368732 4098.843032 1817.622054 2773.586626 6775.744334 2932.417342 4557.654897 1684.14686 765.906574 4.07813e-08 1725.064774 1079.709654 3431.933879 SPIPERONE 3521.846297 4819.071742 3128.967627 3460.192728 759.6246403 3871.710479 5005.532792 9252.815046 9119.334394 15258.4284 17382.43356 6765.965677 9475.916082 2418.521008 22143.7783 27261.29974 6622.041408 2381.725368 2706.390881 755.8981528 1279.646606 313.7394999 1415.522659 1390.163251 1968.951707 1836.163126 1905.665932 3840.753658 19210.26638 1590.396549 20660.10895 2085.655365 10719.36087 14604.66646 13449.56643 8257.064363 1302.090222 2404.937254 1066.887476 2320.320735 2962.891209 3029.208579 995.3688162 2041.676687 1974.486309 992.4477298 1260.01096 1245.96791 2546.529117 5446.990759 2535.240899 2679.004519 5561.13989 2563.995449 PS(6:0/6:0) 1129.804837 10778.44029 1041.984334 1399.367118 850.3378593 595.0442329 1504.997535 6848.774936 8777.150232 33268.87884 27433.37779 16125.46106 30766.79498 19902.91852 28043.40973 11196.89472 24144.42944 24218.02453 247.3103049 969.5900633 895.6259673 231.760709 1.675376443 461.9033316 1205.43823 716.9416215 4.07813e-08 18764.53697 23636.94827 24461.07108 19331.96736 19281.47937 21015.81404 22185.14034 13499.15706 21061.62083 2638.160976 347.2299593 0.811237267 4.07813e-08 162.0434944 547.6351278 37.21427329 612.0719391 309.5247908 1.528866657 273.415891 1071.860196 1837.470196 5753.781806 25220.59578 710.1612214 20390.36427 1705.272921 3'-Demethoxypiplartine 2961.596357 3036.516258 3201.499211 2259.393058 4269.804825 1899.118498 4264.056519 2991.957505 1649.124864 2574.128651 3309.000295 3161.705413 2385.561474 2815.50353 2816.608681 2634.126309 1776.116711 4370.724995 4464.487005 6855.841906 4225.303 4959.219286 4694.797504 7650.477115 6250.76006 7399.819657 6953.050562 1686.246648 3899.500727 3333.501172 3210.225951 4718.926595 3025.317308 3411.052511 2449.666328 1970.693418 6100.900429 5576.496508 4106.657184 4452.676086 4011.853229 5485.7155 6338.057601 7404.493177 8272.006012 5622.319319 5194.742465 3383.694266 3264.239805 2937.269717 3106.446414 4704.97086 2155.698492 6216.013378 (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 3615.276156 2789.50102 3220.947691 3240.233518 4055.637584 3190.647776 2510.451598 2352.377445 1900.212086 1315.923449 1446.32229 1454.55872 1449.497468 1827.626464 1625.79611 2428.042192 1336.346155 1873.384836 1675.720073 2141.351441 1663.881309 2205.581612 1599.864123 1672.466569 2038.681512 2417.980924 2208.700033 1299.003968 1648.268664 1749.30849 1914.73978 986.3105535 1779.064962 1090.427825 1595.828457 1942.109908 2636.628587 1594.011092 2016.352779 1890.156477 1723.872944 1607.6813 2268.893969 2390.294695 2060.113064 2884.854548 2156.523848 2248.38869 1569.757025 1354.18803 1040.000138 2037.42301 1865.499824 2875.143895 cis-Hinokiresinol 945.9784199 645.5743656 908.7526384 823.804902 1356.577774 1036.851002 1475.379852 1916.24617 761.7171447 4.07813e-08 110.173068 4.07813e-08 101.3811395 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 205.9353563 4447.100229 4459.476786 3468.419897 3091.535848 4206.362513 5375.04377 4232.371581 5101.30964 4488.996001 226.9553525 805.2034014 90.62815213 468.5114326 809.8212554 86.49123732 219.3943524 4.07813e-08 4.07813e-08 2847.015605 3386.925778 3059.446973 3332.831534 4865.81048 4157.733589 4907.228322 4439.505962 7567.642122 3288.466782 2452.946011 2230.177991 2355.904971 2086.599521 371.3697541 2569.263872 94.95669147 3443.068677 Pelargonidin 3,7-di-glucoside 4.07813e-08 3055.812841 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1508.088385 4.07813e-08 4.07813e-08 54992.77573 53688.14944 43284.82826 58200.67852 48228.88758 36242.38177 30450.17072 39587.93475 45829.41566 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26922.96644 39159.99206 50444.23926 27336.67734 47698.22702 43939.14449 37702.89422 41058.232 36222.95659 3900.322904 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 612.07316 681.0741445 46432.02104 4.07813e-08 35142.94812 4.07813e-08 Secoisolariciresinol 2631.595687 5385.121119 4208.449511 2384.702789 4809.19181 4971.379636 4958.546429 6972.142737 4775.593938 240.8469361 543.7413053 167.395089 264.8483448 43.70200468 321.2558846 266.009856 56.53267861 306.3097461 8533.434321 8853.507935 4857.36659 7061.413324 8860.054367 9525.749228 6186.627833 7820.529491 8779.074708 389.8611428 229.4302179 597.1438258 4.07813e-08 731.0301783 156.9906437 1101.916359 223.8441257 497.5211564 3554.473883 7827.571324 6806.02604 7991.321904 6846.673526 6898.081936 7467.043341 7558.13085 9826.113889 7344.4803 7325.685665 5850.242486 2486.601289 4948.566556 960.2216016 4248.159347 9.92178922 6429.421041 5,6,7,8-Tetrahydro-2,4-dimethylquinoline 344.025751 91.70849074 215.5804314 55.59454181 125.4385932 4.07813e-08 63.39422971 52.75005776 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1103.75311 1477.198987 635.1980684 618.7536036 657.2493915 877.6482376 1182.4061 1564.841702 1041.157726 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 101.9479872 4.07813e-08 4.07813e-08 1122.670564 653.6158555 149.5874052 1766.195356 557.3236921 1159.132626 1011.61167 1784.669541 1420.576956 268.2021026 253.3036675 60.55711497 58.13529629 252.0408226 4.07813e-08 4.07813e-08 4.07813e-08 200.2590427 Glabranin 1194.590179 649.7274466 1157.958058 464.1204232 927.2038055 744.4297921 1470.153221 780.1340752 546.1817898 286.7614954 197.0708158 115.9460036 243.8586636 277.1323299 150.5858868 4.07813e-08 4.07813e-08 135.1274235 2180.50202 3555.091469 1350.728261 3675.414851 3145.658492 3896.582439 3892.441675 2932.103826 3826.574876 795.9328313 181.0089461 183.0209004 4.07813e-08 141.0421252 756.8441367 4.07813e-08 363.2857348 8.430243919 1592.475408 2105.009539 597.3331655 3003.53641 3075.929733 3175.368782 3375.596328 3598.397885 4276.337267 2753.799787 2032.80354 1192.771809 604.0799652 4.07813e-08 219.7762509 1052.783513 4.07813e-08 2637.526623 S-Acetyldihydrolipoamide 23700.76006 14601.45462 31021.36601 25444.12211 24944.90776 22465.45147 22432.46904 20638.27331 10485.21702 247.1056405 508.1917887 601.9259019 688.8612014 593.5657781 416.9021971 845.2169285 393.6151634 4.07813e-08 27515.10022 31660.64151 27988.40637 29054.39732 34181.47378 27894.27248 32488.97846 48632.56649 29052.47408 495.5966417 445.2690496 1080.109195 230.9287523 1732.280885 1356.530548 343.3235977 597.5225303 372.105924 21649.54852 30786.70536 26281.25134 29637.2365 31620.64454 32728.5814 25114.43487 43414.82336 42267.12344 23795.36793 20252.71882 23560.99925 20607.77225 18007.31395 965.9973235 21713.41688 450.0837104 28982.59928 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid 5387.47613 3965.822532 2183.794334 1567.472505 2432.438455 2173.023736 2524.788745 3658.521815 2194.689481 2814.545515 1919.514205 610.5793636 3035.5773 969.7678216 1415.704808 370.9233918 1851.032221 1119.793122 5464.621671 5160.261384 3698.682812 4580.345149 5530.854747 4729.695468 5195.670963 5286.280396 3895.578323 1289.520621 1512.851406 1025.498371 1642.270228 2326.433765 1479.479615 1619.742047 1009.060009 768.920954 3879.420467 5013.844517 3931.151562 3802.912585 4005.842621 5036.975824 4166.505301 4324.387715 4882.251182 2084.453734 2304.830151 3004.600181 3124.866058 1995.916212 1675.225644 2940.044781 1051.507733 2583.787748 Isoetharine 4930.717495 1720.658836 3480.16953 2039.641316 1291.53162 2754.967417 2282.022458 3822.257559 2323.662614 109.1813744 181.1149429 77.04643195 343.0641773 150.92353 456.6132506 4.07813e-08 312.7837917 403.9893459 5718.968398 3526.853055 2827.075922 3423.605294 4397.440332 5203.505004 3522.882877 6925.512204 7266.394421 644.6939984 186.9196293 85.58459336 85.41201671 488.8881157 501.5831815 313.5695618 4.07813e-08 4.07813e-08 2784.730489 2070.514721 4302.469664 3363.434424 3237.890061 4024.891669 5479.685693 6862.277465 8446.939269 2271.187041 2972.28622 3475.30445 1825.749791 2929.054932 599.9165472 4260.144126 485.6159119 4481.819983 Delphinidin 3-(6''-malonylsambubioside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18045.85484 17152.40854 4.07813e-08 25830.92945 4.07813e-08 14891.60101 4.07813e-08 10207.83824 11621.50784 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27027.85164 20197.80249 4.07813e-08 20449.45806 19938.42334 10135.95258 28121.93252 3115.486314 1300.159522 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 391.2805034 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 286.395561 4.07813e-08 4.07813e-08 23997.21744 4.07813e-08 26753.09258 498.8989839 5-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol 3118.555639 2893.616064 2999.378414 3605.144572 3881.382829 3147.808139 3567.560978 2551.295478 2831.653362 1188.385035 1366.233659 974.8889101 1136.824627 1463.970362 1232.315258 1705.796789 1230.540452 1629.763998 3798.301701 5205.321556 4076.290402 4263.892732 5215.875182 4264.682491 4846.796789 4696.900201 5813.68893 1000.943322 794.6053626 1525.461424 1033.47349 1489.390734 1310.484586 994.4505003 1754.260966 1539.709366 3218.831534 3620.954491 3795.501913 4313.260054 3926.273583 4568.820879 4828.99207 5232.967312 5079.535199 4266.757303 3515.646157 3878.696129 3565.785018 3352.734382 1295.119041 3178.243077 1721.434393 4541.720521 3-Butylidene-7-hydroxyphthalide 2061.081816 1137.103716 2493.641624 1635.739979 2126.621357 3599.74706 3435.920057 2279.843641 1222.034054 61.18873081 266.4074689 48.88180937 116.8703683 95.39081189 54.12843551 136.1382039 4.07813e-08 54.96411348 1793.862641 2733.514022 1576.331382 2684.491054 3577.676972 3913.858525 2158.046544 2302.322828 2643.833746 60.77886242 84.88371628 696.7954101 73.48449264 74.20053372 46.5339186 4.07813e-08 121.1197178 185.7832365 3495.7066 2694.899248 2370.843021 1769.772273 2647.669951 2648.291742 3884.704134 2091.72701 2518.756888 3240.513134 1634.232105 2336.862521 1423.232316 1559.285965 56.00977576 1880.491427 334.6735895 3898.302717 Gibberellin A1 394.2209152 745.6771555 530.9906777 471.955496 780.1823613 209.0402988 582.9163216 825.8295376 761.4943817 1609.402499 3202.022105 8762.253109 1685.199125 11654.36459 2322.988419 4543.193421 6557.887208 8362.867632 529.8106486 848.7047728 462.826958 516.6580439 619.7764515 252.007264 942.0979642 410.4554282 353.6174969 1451.828791 1604.007329 13749.76373 1632.663255 3876.584395 2765.420452 1237.633484 3996.268654 8274.581479 434.019021 230.6450225 306.5163223 447.7904976 170.0474466 532.3675886 639.0352979 480.7394017 364.3218216 89.07123362 465.8035806 306.6171149 605.1689471 742.8442046 1831.643827 161.7245861 1081.28424 580.161193 Nelumboside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 491.5121594 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13320.60053 4270.202442 4.07813e-08 10708.85154 4.07813e-08 14031.2008 4.07813e-08 22741.76368 17150.27516 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16099.54148 15126.16228 4.07813e-08 12924.47441 10196.44494 4889.298122 7036.858953 3842.995761 295.7028908 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9340.792167 4.07813e-08 6807.205589 4.07813e-08 (R)-3-(4-Hydroxyphenyl)lactate 816.0880728 1733.01041 1347.691385 1101.33312 1485.04242 1340.572282 1781.194906 1543.753252 2150.628727 683.2469581 512.834781 851.7542667 1054.851757 809.3247637 500.2555343 410.2379787 950.9390881 1822.610121 382.6971394 150.2797057 1293.567801 1351.256082 518.8372247 391.5831783 362.5568689 223.8953202 255.4130004 510.9882683 547.4262842 1030.918178 796.9124542 832.116493 393.3668425 2045.965453 1635.838334 952.122072 942.0032608 528.3028974 717.2185608 669.0277747 482.3608945 388.4878643 347.1826559 753.5871735 945.1465364 658.8302098 347.4378053 854.4056044 756.8388954 1078.742229 987.9602282 939.7108911 674.0468772 1216.224075 Knightinol 6479.230266 4609.17603 5727.163712 6331.343042 6478.374868 6450.088129 5962.164368 2858.734157 2132.401827 1025.262056 1274.424513 996.5120339 1509.404586 1165.662068 1107.049309 338.3724029 892.7981727 775.1616532 12677.51638 10615.99766 9470.763749 10342.3271 13602.01986 13415.17739 12534.23016 11782.29828 12195.99789 1081.99669 1295.880116 1482.872959 728.9917189 2051.905222 1391.358643 1164.912937 868.742005 1031.633996 7728.116538 9905.635157 6829.863217 11148.56963 11513.91122 11763.42055 12223.99475 11941.72547 15221.39355 9248.693713 6491.975529 8369.377981 5866.214877 3539.082702 1482.497129 7840.944545 1084.374331 7486.386383 Valeroidine 2200.602802 567.5001804 2097.921868 1110.618382 804.4539541 1378.352978 1359.362996 2434.449001 712.0547727 951.780465 526.4041555 215.4352672 672.622848 253.8499537 70.27028594 423.8570072 4.07813e-08 802.6124619 2066.82213 1856.28607 1968.187367 1527.593331 2048.537268 1510.860305 1679.905297 1731.331385 1724.132395 365.2217241 476.8191267 565.5878072 601.7429283 479.0135833 177.6802439 366.5593892 145.1653059 71.0448247 1640.425586 1702.975347 1683.760592 1162.634506 2517.183285 2134.072074 1530.426907 1767.51805 1566.239812 1411.436087 1114.97359 2183.489132 711.9976172 322.2137781 290.3978231 2320.043464 1122.963721 1620.943374 (Z)-N-Coumaroyl-5-hydroxyanthranilic acid 1888.082442 1344.0333 2480.193303 2006.264182 1891.907566 2300.572078 1861.02881 1467.156172 1228.039963 777.6871597 643.3066675 354.8482519 325.2628379 626.766355 104.9748938 93.21659704 5.916224883 177.4465684 3521.380812 3249.675029 3278.160798 2783.824563 2807.377643 2840.731631 3115.168321 2847.014509 3628.106956 2.743550365 356.8924656 691.7791324 4.07813e-08 342.145792 251.8501471 446.9132314 4.07813e-08 171.8891564 2621.891541 2617.003524 2181.88908 3073.081204 3422.895939 3608.849032 2235.146758 3238.107549 5361.836582 2589.343734 1981.301569 2637.815824 1924.385209 1527.982285 545.0514012 2089.403969 149.2796461 2159.724521 Phalaenopsine T 4.07813e-08 307.173227 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.79575717 2202.6034 3117.374925 3638.308663 2755.047043 5389.473409 1432.219816 1401.978138 6401.896141 2759.241062 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.3657046 0.979638576 21.67553372 7.845863098 6.305885226 1678.759041 2486.539932 5646.603018 1334.257184 7062.069475 2533.439212 474.9346204 2637.79156 5886.339551 203.1747 4.07813e-08 4.07813e-08 222.2910862 4.07813e-08 4.07813e-08 2.813773901 10.45403791 208.9633758 11.23631641 4.07813e-08 1.601591418 4.07813e-08 4.07813e-08 2124.379027 4.07813e-08 1454.50622 4.502641242 Dimethylbenzyl carbinyl crotonate 4532.602845 3691.822721 3917.871532 3559.214298 4323.656566 3692.37696 4346.302647 3187.106332 3240.748454 461.9556451 684.7911231 291.5987793 508.2855964 502.3194826 786.7777884 765.9566273 913.7824371 740.6781752 7029.772965 6764.227978 7092.22664 6618.053311 6674.636639 6101.080467 6426.041226 5634.058315 6279.424379 367.0949554 358.5893763 787.8148784 278.3782446 518.8471635 545.6566261 426.2053142 819.0259204 901.8949376 4578.383872 5864.155715 4809.356851 5234.777133 7588.360014 7690.101681 6070.726779 5209.985608 6814.317044 6183.518047 4288.447047 6106.108524 3524.535146 3303.011371 1363.613761 5285.314037 1733.962496 5004.861873 2,3-dinor Prostaglandin E1 17894.73944 13086.74829 13433.21063 13039.2372 15283.63169 12658.94916 12114.00471 11832.42096 11965.54561 6511.776813 5020.848132 3915.583745 5722.649644 4357.260236 4507.550287 3106.728535 3606.863504 5597.131227 23687.51111 17522.60897 18860.03528 16586.76196 22632.54062 18593.935 17234.55176 22927.02584 19861.45605 3011.144893 4435.612973 5046.345697 3625.923126 6728.20458 4742.549935 5394.206609 2128.610967 3711.765337 13246.52236 16399.56537 14965.52026 16272.48541 17887.47278 21515.37346 17468.55031 24046.68718 26588.90494 12096.40387 11513.93984 12308.85421 10505.63349 10169.40818 6673.588548 12812.38336 4195.882592 16641.30442 1,8-Dihydroxy-3-methylnaphthalene 895.0435959 400.330767 804.5529988 631.6060208 838.0272719 1039.861131 1053.596749 746.5906194 486.7082453 82.55922126 298.6853744 145.9523687 354.7496658 115.7978324 43.07657518 292.9316144 285.1853415 142.7626206 1004.629564 365.8091361 971.0191669 918.6385737 718.3242038 803.7414067 587.7832487 1194.994676 1554.324237 1039.781986 137.386023 149.0832292 417.0551585 292.4927318 882.9316565 250.6938669 715.4596258 345.5973168 1027.417775 1177.563172 951.2520579 887.6290402 864.6630338 1023.185024 989.9095725 1278.23564 1606.198515 2240.556367 1122.433504 920.8202017 453.7185647 419.7791633 255.1312626 733.0981164 283.1441768 1206.002087 PF-622 17447.7862 10038.86695 17726.0654 25546.7871 25134.50347 12919.66999 13113.94526 11897.72798 12039.28757 4.07813e-08 129.3751284 0.047434808 47.82648034 4.07813e-08 29.5927116 4.07813e-08 4.07813e-08 16.26334482 8937.537182 8785.880848 7254.34889 6153.14773 5806.470612 5338.602235 6251.715673 10590.09732 8957.93818 4.07813e-08 170.3653529 311.6754888 4.07813e-08 4.07813e-08 4.07813e-08 6.967871135 274.5167336 160.9016095 8802.689038 6669.29203 6112.197199 6801.181483 7382.47987 7011.032866 5216.695378 13016.49127 8788.068456 14508.7508 6298.342633 6050.334215 8860.920301 4058.690779 174.8674736 7074.571241 4.07813e-08 10283.54851 homosalate 3241.077522 2266.080115 2842.568491 3642.248208 3450.432895 3289.025509 3234.139966 3266.299937 3961.554308 190.8142081 286.7586628 162.6151824 186.3672921 361.5903289 165.2301905 4.07813e-08 373.6018681 1103.363685 10464.92846 8763.289331 7819.453264 8160.326434 10152.14264 9899.75973 8416.98803 7173.113518 9058.084042 105.0744097 273.4706647 708.5564881 335.6603818 484.1499226 472.425612 414.842405 161.528286 716.0134877 5810.551577 6271.949813 7330.806665 6940.746982 8677.752232 9771.582899 8386.5468 7070.100081 10177.06121 9504.120924 6283.64205 7787.901325 5381.55468 5683.825147 1495.032138 6701.520623 977.9016942 5484.022546 Linalyl benzoate 3480.018006 1966.73385 3674.426299 2256.275009 3103.481357 3797.141668 3463.498158 2660.960904 2509.57831 0.138983686 4.07813e-08 1.38521238 86.78624912 6.104753469 0.040639044 4.07813e-08 4.07813e-08 60.57367406 6945.721797 8882.607519 3441.203628 6302.051945 8195.617681 8780.826631 7615.534749 8966.080652 9264.956197 2.158967701 62.05187986 0.500578842 2.971266109 65.23247205 14.03691052 7.877540425 4.07813e-08 4.07813e-08 3462.278946 5379.107272 2397.538817 5469.307069 7692.353246 7286.790393 8640.721887 8272.594512 11474.88358 6087.749904 4365.971505 3962.14912 2136.310415 1576.218488 4.07813e-08 2943.870537 71.93371414 5193.693453 Zolpidem 31212.77131 24222.31619 24979.24087 23603.49708 31782.96853 25994.88818 29147.51304 19203.82729 21642.57358 15507.99721 14293.92667 9063.466533 14684.9611 11407.26718 21615.15005 5823.201191 10814.52239 15874.2004 44013.90769 38084.80736 35293.14929 34707.29299 39020.23471 39002.3025 36231.0381 37744.88289 40678.92294 7860.794467 10180.31233 10015.45471 10309.29161 17886.46861 6078.223273 6697.168506 5706.49083 7744.608138 27587.63631 35959.32317 27934.5478 33466.12997 35026.00571 40591.29647 32877.44794 39614.28352 51582.59796 29364.72493 28962.52189 29886.19759 22054.30373 21254.04516 14459.02276 24397.23751 8677.097168 25091.28058 Erythratidine 2175.820571 1102.319786 1408.462016 1103.728982 1939.244267 1646.269121 1605.513676 1520.732012 1746.306792 431.8935666 880.8592841 92.04871681 797.8009627 545.5475667 138.3638082 925.6759683 406.7291299 217.3233105 4383.278806 2492.679672 1303.549679 1478.725684 1982.578187 2829.99153 2948.265092 1906.856122 2257.720813 308.7708802 689.1055302 416.4734976 560.8403811 320.6751684 532.5059755 455.4721482 641.4223824 664.9004204 2264.24507 1752.425212 1163.880963 1455.595339 2329.924371 2478.561479 1853.23325 2075.563975 3079.473418 3172.442016 1368.666415 833.746126 726.1348092 473.5068606 325.6165376 1220.409857 237.3147035 4660.004236 2-(Methylthio)-3H-phenoxazin-3-one 4.07813e-08 4.07813e-08 159.0023903 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 201.575437 4.07813e-08 621.4008086 452.0886563 684.818666 745.8731231 2292.811396 253.4321235 625.0912389 722.7747128 888.2693963 208.8639494 165.0179239 59.17178979 357.6911536 82.51741453 92.7485068 4.07813e-08 90.50712351 165.1822448 4.07813e-08 554.9506365 964.1766935 584.8451026 361.300448 4.07813e-08 257.9498797 173.9586717 997.6976063 146.613564 163.0076355 83.00311783 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 84.92170626 268.3536811 94.65889909 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 390.6705186 4.07813e-08 4.07813e-08 4.07813e-08 ACETOSYRINGONE 2007.703233 711.6131425 1016.322924 915.3160714 1936.685834 1029.075078 518.9961278 240.6081326 567.5041509 263.2172502 283.0333475 139.9756782 295.8029578 298.2542892 212.0602836 495.7296018 266.1931514 201.5440377 1421.460485 1719.935578 1137.367916 841.0739296 1043.795241 1371.799994 829.3295331 406.5429631 323.822232 42.00670712 138.7607816 527.6001405 45.97408858 179.4571011 288.5985763 298.6034973 164.2778242 398.891567 1019.43069 1036.786666 940.4609317 1141.157217 984.868719 1538.936316 1161.085078 426.6619827 216.2401002 871.3346864 1644.185399 1300.039759 1130.937967 865.1192509 94.46954469 1113.871112 393.7377966 754.7306273 Quassinol 2733.463044 1801.426612 4748.540052 7893.739244 7676.858189 5355.848759 3553.529508 2711.998085 2756.246301 1364.933479 356.8267692 1179.729056 1104.681783 932.192355 438.9635483 271.4151259 540.9413216 284.3655678 5267.222214 7559.895989 2975.315229 3740.053117 9669.696902 6673.528951 5710.468395 3325.835495 6988.278848 515.9325708 947.969226 1195.18111 391.7646009 971.3993303 1062.893992 688.6747797 888.5660282 802.5533095 1745.707958 3543.591899 1350.921589 6399.381244 4021.304378 7114.41918 4786.466644 4069.676847 4929.008159 5091.054082 4254.699143 4273.038986 3392.676942 3515.179681 913.4137566 4536.895841 432.2521153 5340.436862 9,10-Epoxy-18-hydroxystearate 1437.483935 655.875498 1288.622335 652.2844818 1374.922894 813.25418 643.0622389 1175.989839 2033.214789 152.5882957 237.496337 4.07813e-08 4.07813e-08 4.07813e-08 156.3342979 4.07813e-08 4.07813e-08 4.07813e-08 1464.03548 1328.827561 939.2096124 1161.69749 2862.308669 1716.707161 1324.910161 1729.879826 2025.505561 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 598.873094 939.8960036 1416.499458 1237.545007 264.6199263 1615.476842 1874.185198 1809.508377 4330.471498 767.418792 2707.100085 1042.987541 730.1137595 1214.321909 4.07813e-08 466.2645082 4.07813e-08 1596.835586 Cinncassiol C2 13934.33307 8227.954443 10590.2258 11854.46217 13203.99907 10719.57821 12929.17105 10950.59738 10509.39652 2260.885911 1904.052798 1218.774732 1622.339819 1224.007647 1477.139335 554.8856258 1167.438459 2499.774597 25195.98951 24115.01427 20210.29049 19433.07356 26174.54404 25129.36654 24054.54713 25660.92069 27606.89388 1830.421855 2293.518172 2175.110513 2141.736692 3015.450603 2751.605842 2007.986535 53.18400996 1609.876716 17386.30675 20760.15806 17732.90483 20480.28604 22213.81788 25102.9753 21727.46341 27124.76866 32418.70192 20070.78597 14877.91695 16377.8531 13429.51435 12725.81476 3714.201605 15910.78531 2378.75787 16923.31971 Polysorbate 20 1441.71953 2135.002242 4.07813e-08 982.823971 4.07813e-08 4.07813e-08 575.8011984 2821.534777 7084.423008 14126.45255 25478.69914 18979.75079 10130.19325 12193.29481 26052.31312 22075.46847 42326.39856 18880.39392 4.07813e-08 303.3192508 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13753.18865 17683.43944 6297.391177 16759.08011 16455.23914 13686.93602 18445.0729 29169.33351 17971.00638 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1494.370303 808.1737297 605.3709857 535.751845 9736.203095 4.07813e-08 2006.105488 4.07813e-08 Forskolin 33164.34685 28016.21811 31393.73299 32451.06264 37124.26964 31587.27938 33859.37439 28996.96374 29379.56929 15198.64007 21677.28916 13198.10773 20325.8368 29591.91025 13618.00953 8811.037142 6481.890711 12450.22847 59613.40311 57213.06915 55119.91033 50100.72067 59759.26138 60462.04382 54250.01073 67523.40879 66932.26124 14868.74115 16571.55186 16197.06185 13136.95907 22680.51517 18007.63223 15491.60417 8899.574092 11207.731 44586.53357 53810.75411 47295.2737 48563.09074 55207.60675 60951.26174 54041.59329 66839.51817 79190.84532 49843.53333 42620.99231 47726.11134 39749.75579 39470.59409 21993.46475 44460.62688 59187.89282 44833.04874 3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside 4633.771318 3978.675637 2502.788287 2123.019257 947.2660752 1174.935477 1556.084216 1155.243857 3073.190262 1387.569189 5092.288947 959.3519987 402.3358077 2293.130102 90.21827734 4121.07888 1587.403332 2505.439459 4102.635474 2935.518185 3860.035372 7027.716321 875.5868807 0.745724071 1073.96974 1115.029656 4.07813e-08 4.07813e-08 1981.888357 3088.849505 472.6400118 1847.84635 484.7960672 91.71341624 4.07813e-08 1560.496229 14209.38701 1031.336636 1433.428071 93.42091398 3579.088329 3355.061939 4.07813e-08 574.6268793 6716.131472 4.07813e-08 1353.837609 1816.667719 1808.897397 5354.05323 1534.672825 1579.607872 3384.091563 146.62909 5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone 553.641189 4353.609293 1099.176995 2767.878826 1526.492485 1015.470095 2750.268684 4971.189423 2134.328552 4988.033042 4405.321055 8269.947171 5363.952632 8757.077511 3762.558227 5677.126452 4568.42761 4967.247401 243.180604 55.3969983 225.5801669 2350.503857 174.437783 4.07813e-08 1176.381777 688.7286227 282.0057822 2865.158496 4235.404552 11611.47124 4052.043581 5646.102298 7118.558776 3900.116503 7323.861999 6790.559918 4055.449438 730.5868731 739.5086768 4.07813e-08 388.1490388 248.1217276 167.2224607 254.982657 1445.983684 1416.908031 254.8853126 1079.193476 2817.743181 2288.310672 5960.335264 2382.853517 3855.664289 2901.584887 Acetyleugenol 1884.056877 1102.884646 1503.567608 984.4933051 1615.19468 1568.129061 2197.255138 1449.80131 1593.683135 381.96836 547.875171 328.8118945 346.8942864 697.4133916 531.7337513 318.1684976 470.9041433 342.4014504 1712.349719 1873.981156 2087.142036 2444.0387 1978.254675 1850.120725 1772.627363 1778.002271 1481.541663 318.2250489 338.3113467 647.8715367 175.9733744 393.8122 398.5475467 391.4561027 256.4262439 423.3277156 1853.279197 1804.921946 1841.223949 2001.421563 1994.113719 2493.324288 2183.046294 1751.740281 2043.796103 1332.69291 1611.524396 2255.803771 1377.444073 950.4543431 535.12552 1169.247638 308.2545345 1804.220437 Deoxydihydro-artemisinin 5368.53792 3624.9147 3924.795152 3835.251335 3453.019768 3732.759798 4662.198837 3466.620939 3222.493342 2434.992472 2844.260415 4339.461155 1889.238395 5708.883226 4242.15094 5748.417551 3031.186221 4540.463902 2167.19673 2681.089932 2707.215647 2996.883972 3112.945283 4142.727596 3409.512712 2882.513173 3450.497317 2547.209135 3163.57815 6729.197713 5340.249804 6849.860696 3096.371479 3223.20179 4499.215604 7268.681528 4100.450855 2121.916683 2790.664421 3408.131645 3150.809761 3847.224198 5140.513474 2841.585787 2108.481168 3574.403898 3109.510612 3830.700689 3655.827906 3736.952777 2730.298599 2728.843113 2788.619837 4672.375972 Macrozamin 8719.437808 8349.80177 4285.524184 7466.401574 4782.58369 315.9623381 3013.229785 5659.869535 2668.48475 137.6404484 206.5148758 175.1490154 175.6727707 138.0349861 9.856117767 4.07813e-08 1731.636532 100.4503872 688.8859012 1572.346038 1257.995574 1254.202879 3628.788628 551.2870232 4167.841806 149.7830921 132.9453032 873.6710883 126.646282 964.0423028 133.0176833 574.1093237 247.9981941 136.4220651 1164.116275 268.8100393 3103.837555 2695.950244 2142.595271 3101.764984 1026.010962 4131.419778 526.6530901 84.15414436 105.231704 1121.058308 813.3825136 4522.759231 4830.79528 3532.603955 431.3754375 1534.670511 98.30795373 2281.188961 Dodecanoic acid, 3-hydroxy-, (R)-; Dodecanoic acid, 3-hydroxy-, D-(-)- (8CI); (3R)-3-Hydroxydodecanoic acid; D-(-)-3-Hydroxydodecanoic acid; D-3-Hydroxydodecanoic acid 3193.05543 1812.550354 4764.916074 2775.994343 3301.523435 1938.903236 3527.769574 1530.437421 1501.918942 1317.871839 1723.611827 2098.768588 1483.668138 2134.485399 1833.263291 2965.196988 1133.520594 998.2465824 1633.694281 1739.67991 2513.775815 3218.796042 2017.512025 2771.557908 2913.14184 3184.29505 1989.263551 2044.508359 2044.832814 1560.925072 1636.238534 1248.01523 2147.277806 953.7199207 4147.746554 1883.302027 3413.224633 1876.697891 2248.159682 1544.47367 2431.567259 1942.750929 1826.582001 3087.305206 1276.964732 3291.254877 2730.393315 1103.241112 1479.63466 2204.490077 1372.943298 1792.034447 2106.8708 2707.121232 3b,9b-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide 26022.49513 23412.15996 22765.57657 26646.71643 30829.59631 26907.90187 28393.19221 23583.32443 23142.47103 22451.37968 26309.20099 23135.2461 24741.42875 25543.3488 23711.18596 16076.9846 31943.91549 23876.87138 59849.45509 60163.7807 51807.92994 52655.70218 64891.88764 59024.59264 56101.29196 60539.8474 56844.2919 23715.53092 29875.69637 42713.28879 17527.81027 43359.31668 26949.75745 24587.54673 24668.27766 26895.90182 40073.5375 53084.92286 44038.83697 49918.30246 56099.99792 59914.15841 50526.32878 58172.23061 70618.76207 43601.51825 35595.24518 44225.22768 35595.51655 34429.01318 36676.96652 39090.5548 25670.23749 36884.2662 Neryl glucoside 4642.017184 6033.208146 5082.954498 5637.229091 6261.377143 3530.297681 7850.285149 1120.450388 2607.035442 984.8219188 692.0013947 771.9402011 799.5192052 930.1507163 851.1004645 1162.162914 893.5952652 1056.192555 7887.102978 7610.756997 7166.347699 8236.621391 13563.13353 8403.586482 11688.88742 3271.385039 3416.913706 447.7837026 752.2654338 1258.69855 1108.631044 438.739229 1525.612602 637.8611379 900.7052582 903.8877017 2717.194224 7911.751811 6502.636413 5879.163024 9549.480858 13621.33108 7257.117864 2696.417441 5946.937581 7528.467803 5439.824174 7339.439506 3824.792652 2206.093869 796.896773 7145.115389 1279.582297 2526.585257 MEFEXAMIDE 2632.346869 1635.31049 1414.312677 1483.701439 1643.447716 2688.744369 2197.980404 2406.485885 1731.587768 615.9094162 432.540284 155.7389551 578.4076065 79.23937154 164.0720765 17.76350021 4.07813e-08 4.07813e-08 4062.642498 3857.957141 3667.114829 3264.3237 5837.436464 5577.142596 3459.695928 5710.543717 4235.199121 4.07813e-08 251.7326809 4.07813e-08 77.5933713 219.7362715 4.07813e-08 34.8389897 92.67551348 4.07813e-08 2131.173377 3934.928046 3143.118241 3995.033358 3965.82803 4020.859454 5182.734536 5950.268667 6526.229238 2980.45204 2311.624477 1893.573355 1824.394855 1786.084679 513.703112 2051.377583 441.2879082 2545.372106 Rosmarinine 5213.539683 6811.912073 5907.146553 6907.697382 14174.37115 3647.023753 5879.080038 5022.880983 5656.000221 1937.56327 1644.396149 1940.949343 2803.474269 1009.70306 1417.903286 4.07813e-08 2158.416267 1995.164036 11446.93923 5929.238557 7288.486452 10254.03989 8995.079625 5332.552759 6875.931502 6033.267515 4938.923802 2236.27302 1890.920632 2366.823424 891.783077 2917.725035 1526.477627 2057.896085 1092.944411 1373.921224 11145.17099 6486.384768 6990.778877 5161.33332 8193.334353 15100.62275 3747.331579 6444.204407 7396.725705 3615.402743 4609.64729 5694.302513 4664.097107 6806.300497 2887.593295 6072.079626 2680.430521 4033.295826 Vinblastine 4.07813e-08 2174.819302 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.85454496 920.7736933 2381.880371 109513.8587 126581.5112 134061.1363 84469.72534 115423.3353 165066.5274 271200.9378 157930.289 244478.8324 2558.225407 4.07813e-08 4.07813e-08 4.07813e-08 384.2459599 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54979.45333 83571.57568 179804.2066 91030.76757 184518.7064 67260.29593 191738.4942 73217.69889 211856.432 4.07813e-08 4.07813e-08 4.07813e-08 340.7017354 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33.73262666 4.07813e-08 4.07813e-08 1388.560106 4.07813e-08 75388.11012 4.07813e-08 14825.44261 4.07813e-08 6-Methylcoumarin 1520.215486 1352.863046 1270.986231 1816.608755 1999.218439 1232.060891 1434.235194 925.7061049 862.9052412 441.730851 266.0295109 187.3789176 472.3291521 455.622378 222.2480844 190.5822607 80.93378424 190.2162552 1299.378948 1401.494674 1397.996341 1738.30614 1579.685569 1379.977618 1242.661164 818.7426128 1279.59952 140.9310006 137.5944635 265.1774181 266.0709803 164.3693137 338.0426558 304.1423543 300.3593458 372.1248673 984.5805826 1569.282181 1190.965932 1186.576213 1739.703724 1668.531053 1095.120917 780.708061 893.2454776 1632.870019 940.5378769 1672.14352 944.5158936 1218.134966 193.1313023 1739.054286 251.4601231 1116.031826 Chaparrolide 7701.047433 7970.559382 7983.203527 6814.52421 8682.881027 9275.76204 9431.536595 6610.237877 6383.275395 1172.657579 1661.061883 1357.250493 1635.867318 1193.203378 1526.612492 693.2333399 475.442501 1926.004855 11009.36431 10487.78883 8173.334552 7182.435548 9590.674305 10476.85063 9783.437674 8452.000346 9131.369337 422.3542691 1916.357954 2176.768925 1085.746458 2483.495652 1324.599316 1744.541216 553.6791406 2420.704285 7820.162136 9756.424071 7737.632816 7400.886671 7086.713811 10227.89796 9450.328342 9610.091976 8895.690912 15732.65937 10757.55352 10294.41119 6970.933223 6057.604156 5672.171819 9043.124764 3204.563444 12295.5972 3-Hydroxy-1,10-bisaboladien-9-one 5150.308439 3406.547234 3712.01124 4235.717686 5074.921554 2584.114203 2675.759305 3490.20641 2323.629448 1370.319724 1245.491852 1620.84061 1007.911444 1914.904378 331.7999401 1987.862749 4.07813e-08 1127.685585 3900.402907 3560.644008 3137.403159 4380.192598 7375.727317 2827.167651 2274.796125 3220.88916 2738.060087 4.07813e-08 1285.660817 2691.995935 794.4764952 2191.301665 995.3607391 951.4974089 4.07813e-08 1215.266939 2915.429532 4733.931574 3204.764773 3835.158096 4789.908475 6223.17057 3359.624704 3108.610148 9034.201204 1866.443907 2926.625071 2756.67895 2511.006205 2272.878352 1213.242946 3261.904537 2043.39962 5160.163879 Lycorine 3258.464404 4218.459915 1534.147679 2280.523392 2838.870401 2286.830405 1740.339025 1548.296912 2112.800268 4212.132081 2501.363464 1727.663981 3443.925939 1719.506862 4687.382049 1872.880359 4.07813e-08 2886.75384 2070.100175 2249.956285 1975.686018 3221.797117 3218.366269 166.372939 2401.580798 3188.155197 706.951638 5043.786809 3345.122436 2350.579123 3300.030899 4041.451668 3951.227526 3950.798025 4.07813e-08 2294.627181 5123.78297 4805.30166 3035.6826 1502.711716 1972.850477 4754.534316 264.7088842 2990.244282 2935.569293 170.0741531 921.2372881 1512.520261 3587.514226 2414.697723 3426.262502 2543.729047 1461.441707 1858.103248 Androstenediol 6635.325125 6120.06507 4389.086311 2773.026349 2213.47388 3979.854538 6166.515538 7638.030737 7735.372061 6326.201133 7832.334471 2293.915922 6582.450474 3057.143719 8069.77407 557.6431186 10469.32345 5510.109038 6169.465252 3363.954721 7153.887399 4922.609785 7890.81439 4360.124852 6365.624366 7917.522647 7557.586435 7125.421964 7562.821593 4956.542016 7564.056567 8901.97593 5989.663272 6074.748455 6472.03615 3674.748194 8957.472836 6775.726019 8544.742771 6647.55 4057.861311 7626.001493 4059.054155 9385.20941 4915.668683 2811.732622 3284.749266 6696.153221 6120.372574 8075.571642 9106.107884 6114.184184 5416.576797 4100.936813 4,8,12,15-Octadecatetraenoic acid 3186.375523 1301.946101 3538.570013 1257.398246 2425.389025 1046.288718 2675.873235 1950.810518 983.8687307 678.6533198 1312.092727 1884.38214 853.7376172 3106.121722 3044.679737 1583.734656 1080.849552 1136.994466 1806.68462 1661.150928 1218.161175 2385.051828 1750.757186 2071.290425 2247.322714 2505.981289 1672.282395 2526.58383 659.8018316 1914.19189 820.5005658 1428.451552 1580.916569 1261.814389 5378.182392 2283.165579 2153.124019 1955.868379 1459.080958 742.8843396 2003.12064 1108.322422 761.4851791 2534.768112 1251.428646 2478.578295 2099.625898 440.2859057 785.892314 1132.202505 1401.523726 1965.408641 1585.90066 731.8715578 Cocaine 278.2836623 159.0528602 92.31242695 421.8913356 166.9848622 269.7225095 36.06950938 147.4109693 740.9611347 1207.315074 2123.765496 1433.85355 1191.835281 258.9325184 2782.25934 1114.243505 2265.073737 4160.765075 165.5141187 717.6812363 64.96337715 237.5075385 183.5165083 291.2165894 215.3738799 74.31176592 221.7454007 1798.059032 2643.262025 3231.909663 1289.612955 4168.561549 1902.416044 879.5918528 1096.179661 2648.989033 416.5931201 58.91666966 34.99227519 19.94851345 160.2991457 88.57154677 511.2271685 105.4862514 78.12835395 62.7510241 31.50879096 64.31404359 372.9531891 840.1491306 5568.399339 253.4890082 3016.507896 692.0960823 2,3-Dinor-6-keto-PGF1a 32847.08999 24922.1161 31626.28934 27270.55192 32147.21476 30899.77894 31284.33872 23813.99404 30255.4152 5621.28219 4978.931783 3435.516773 6292.04503 3967.625723 5129.659154 2859.259781 2637.690022 8691.772778 39652.91865 38457.66779 29149.32163 33790.99746 38923.9563 40355.24464 37855.33694 27790.77651 31886.36711 1713.367815 3200.75099 4668.993294 3681.783196 6259.945475 4008.474052 4016.954076 2404.859902 6057.701493 31546.90717 35212.16516 30987.32924 29461.84578 35499.35858 43869.76489 38307.03632 28133.85833 35313.47327 37994.29233 33046.79684 37179.58338 29775.89434 26164.56681 8853.306883 38152.07139 7315.04232 33271.82775 CYMARIN 268.8981394 4.07813e-08 267.5678975 223.3711807 4.07813e-08 314.9782684 22.90711044 291.2286409 66.55889347 888.7063169 1353.756835 3361.984705 1350.376068 7700.286984 3524.796525 16711.60539 60122.11224 32796.04117 4.07813e-08 4.07813e-08 66.12244792 4.07813e-08 4.07813e-08 372.3478666 4.07813e-08 4.07813e-08 4.07813e-08 10208.28437 2310.415973 4307.061529 154.3428685 23074.25022 1314.5901 487.7090244 19696.59829 5610.206229 321.9331002 187.3988361 4.07813e-08 55.75361132 105.7198747 4.07813e-08 4.07813e-08 4.07813e-08 181.8012228 4.07813e-08 217.4112807 15.59275135 4.07813e-08 174.0496838 1940.371895 4.07813e-08 1725.20154 11.93404472 Propioveratrone 3026.729564 2794.648086 2907.177679 2585.719913 2651.448321 2372.148958 2601.619023 3184.938425 3112.46061 2510.443056 2164.914047 1821.053214 2330.894002 2063.209964 1883.413947 2545.905313 2446.803577 3943.777627 2950.696633 2974.34354 2252.774667 2332.887939 2452.648674 2332.757235 2751.920941 3297.386948 2833.184676 3305.925327 3023.653362 3212.007498 2678.378641 3222.63636 2812.071612 3223.106899 2507.370845 3201.033581 2803.290051 2534.545561 2570.57897 2150.096664 2540.945755 2733.514607 3027.199713 3183.790644 2966.962322 2334.067042 2453.167436 2545.905674 3050.300457 3147.821234 8090.328828 2939.182955 2894.585362 3484.046998 Methyl (2E,6Z)-dodecadienoate 20514.24739 9713.460824 16285.03109 7798.825175 7569.74563 15546.85949 18640.67631 10908.80735 19214.74131 4934.77956 3542.236636 2968.678103 4407.972717 3285.61665 5338.743567 5105.861284 3560.319397 4520.169274 5344.905654 5323.836893 5545.681647 10533.228 5828.564096 8057.515772 6925.623828 5152.054454 7413.713674 3450.917541 4075.970094 3911.844613 6012.784658 3771.03816 4198.821723 6716.394402 4240.752379 4604.687697 14436.54053 8454.926777 11034.95558 6676.867751 6340.896897 7990.978719 9326.607543 5535.798389 5280.379526 5462.484677 6290.154157 8879.680072 17580.1838 10225.91514 4759.865367 13545.46524 6189.635019 16207.3643 Roquefortine 10003.15673 15515.91958 17126.76295 11220.14366 8909.722085 18146.37197 41853.87753 18676.98453 36072.9165 0.019262577 106.6509943 76.5850808 89.45226018 79.72988869 112.6839822 4.07813e-08 247.9199874 4.07813e-08 10170.75837 11129.92202 10462.30539 35081.7837 21697.21499 13495.5769 20365.18599 6788.601512 10067.06231 0.411314339 79.29273438 279.3882025 4.07813e-08 2.294685553 4.07813e-08 107.323453 4.07813e-08 84.50735817 41524.34452 21452.45306 22740.84547 15370.48149 22248.38583 22240.19911 17330.79826 6858.745743 5220.743928 18700.25771 30545.08111 37388.54125 22613.89516 21463.89685 19314.65129 27047.82491 3754.983618 24043.553 cyclandelate 7191.509717 5534.717654 6959.279581 14880.93048 7312.979838 10832.31978 6820.326833 5190.390714 6581.088017 3106.451923 2360.376301 2389.614192 2474.191914 2125.582979 2012.599428 2960.968106 1280.251825 3403.425081 7689.477784 6617.478601 5428.141735 12544.34336 5750.768285 10038.32593 5212.974431 4938.753246 5909.612127 2055.597449 3072.266381 2515.327751 3503.103008 2643.525178 2113.564931 1928.684813 2319.36717 3260.050832 8489.219899 6909.55548 6130.415105 5792.575315 11254.04735 6175.30074 9561.599169 5321.718569 4478.607823 6886.129124 6601.611955 7322.223559 12186.34044 6163.89183 2988.586191 7615.877903 3258.802175 5699.347347 Pregnenolone 2258.846208 717.7239268 1327.958958 4614.875568 5952.285001 3684.53922 554.1953791 4275.69346 5135.841531 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2522.949141 3529.034508 1436.869958 5134.580642 2593.435633 1045.7333 983.819658 2124.666879 5741.64605 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13716.02812 2688.025613 691.0161015 2308.248045 3707.684115 1604.940891 1165.822781 1833.504567 4246.549364 3750.421382 2566.665994 1433.922925 1416.830083 1598.611436 4.07813e-08 1143.736706 4.07813e-08 1214.319322 Heptyl p-hydroxybenzoate 5460.557133 2378.427496 4017.904512 4664.206951 3641.995534 4827.86096 5740.972831 3867.2898 3173.591191 99.06057606 75.56179519 41.97150699 56.8960813 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50.30471107 5577.120483 6563.559844 1069.858137 3832.265206 4562.282283 6552.139607 4450.017234 3921.974107 4957.877689 4.07813e-08 4.07813e-08 132.7168104 59.62935273 59.44227056 71.82820485 152.09853 4.07813e-08 4.07813e-08 5162.931352 5903.024234 2689.546737 2861.328894 4494.254806 4700.543656 5722.304028 5135.233937 3430.107219 6029.230197 5374.101899 5352.498546 3817.554757 975.1889175 93.50119808 5254.622824 130.8117077 6650.891658 (+)-15,16-Dihydroxyoctadecanoic acid 1972.064422 2801.330617 1437.199592 2298.265505 3606.213368 1697.563981 963.7830854 4337.220099 1362.420861 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.69133351 1128.543312 407.604955 3569.447456 2060.71109 2046.175382 4.07813e-08 1859.769963 1827.004038 464.4586732 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1266.610893 3064.917242 4248.971798 1406.218341 2637.280889 1334.567328 4.07813e-08 1643.54831 1365.937775 4.07813e-08 168.4792659 1658.921518 2094.365317 1954.796319 4.07813e-08 1695.188432 4.07813e-08 1564.390606 enzacamene 2032.722137 626.7697264 461.3592632 330.2159872 752.9873198 1100.528358 1364.393062 876.8758627 1548.915112 4.07813e-08 4.07813e-08 4.07813e-08 128.752149 4.07813e-08 182.9478813 4.07813e-08 199.0716968 139.7819867 1498.27157 1203.897882 1154.237716 1278.906499 1377.997077 1772.821913 1539.727585 1508.038467 1557.282609 363.4470831 208.303369 217.1514249 240.0110742 476.8986001 127.4926802 467.133762 188.2026781 76.30106965 1806.989338 1910.131074 1356.374143 1033.150134 1407.061087 1218.392468 1457.078757 1738.320098 1491.281272 1440.15344 994.1835845 1338.560718 1502.231778 1048.800185 551.9423145 1139.274004 81.08577567 1192.241916 12,13S-EOT 35667.04144 25121.25725 22913.52133 20335.62978 28031.815 19384.49409 18397.26118 21159.53172 16902.06863 15320.66839 14073.34829 8665.737179 15151.80997 11978.39548 9593.127975 7042.749406 8259.357348 6408.525707 36542.84008 24082.56184 22288.5701 25672.01149 39800.23312 32680.95938 22505.90916 28086.49175 20136.00195 4741.092126 9113.495388 9020.639106 4465.844842 12545.95124 5714.311257 6743.739994 4499.34421 4363.634767 24993.11209 27604.63766 22995.57587 21644.25186 28695.10093 31547.71764 31797.39073 28602.2082 46758.79139 15446.60168 17623.47449 18035.59599 18420.37334 15295.68584 8351.818223 25346.22689 10891.80853 26357.23626 Heritonin 3837.228671 1871.429029 1929.626813 1633.596844 2183.056553 2173.264682 1497.892946 6007.318801 6118.730464 4.07813e-08 105.3038581 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 139.1049659 281.9196232 2414.054712 1657.155602 3892.201502 3771.980023 1180.145312 978.062078 1106.784414 215.0553622 380.3469164 44.74403026 4.07813e-08 4.07813e-08 493.2528925 1030.463028 565.16077 4.07813e-08 4.07813e-08 745.3394047 4824.877251 1877.281534 3990.56846 2123.357242 2820.251411 2279.007681 306.6762736 176.2543725 288.0608156 1672.692497 3934.729289 2926.606459 6108.735417 5717.996639 536.692206 2501.615415 50.22193887 2847.121331 7-Dehydrocholesterol-3-sulfate ester 15.1457986 534.5374621 331.1357713 734.0562849 4252.048417 79.09343357 310.3543351 43.85955631 10562.21856 159.6051826 51.63646013 7975.234079 44.29849863 4264.009482 1773.607699 3456.724756 1646.922575 20339.21412 584.9352186 6087.400388 1713.024984 2905.035935 2337.630067 1221.381281 1624.343427 116.0526857 1489.879243 1512.850753 22.68096566 194.7748283 547.7147146 4.07813e-08 144.4771176 276.7796797 168.9047217 185.8532589 1870.668922 264.4548715 1959.810756 3167.767404 2297.042591 1663.706487 1076.18877 30.9688349 240.4658487 3319.27517 2554.261764 4715.536687 5685.702077 8293.84991 11466.54906 2361.965753 4.07813e-08 1304.53992 9'-Carboxy-alpha-tocotrienol 58136.34332 43430.43489 76988.90904 52934.05357 55473.87104 54250.1708 37470.7102 52188.38201 48996.76135 10424.71545 690.4872704 21458.86442 11149.73682 37304.97211 37759.98214 6260.389238 11292.94229 61611.77465 25897.46136 36589.06901 30461.85419 36755.32943 31698.9574 25462.87507 26781.19931 31704.04762 38375.90539 3696.641389 10923.03495 1043.223749 8311.112501 1196.255753 1835.199544 10712.62139 5476.70876 6956.315835 21221.45813 23934.59189 23360.16704 36491.06938 35667.04797 33782.27602 20666.01765 29120.75842 41733.64073 46379.15414 37217.33107 18708.2813 26237.23308 14889.51822 15317.68544 25569.17331 3704.257475 63959.36027 PGA2 21135.13941 13614.832 16339.30057 16372.72807 16089.56127 24403.42778 23232.07211 15535.08923 15511.89098 5377.443995 4004.862712 3561.622881 5605.249115 3040.54696 2269.061452 2324.765934 3748.444145 3867.724362 34201.52818 34399.26275 25509.2956 27854.74864 31464.8327 32088.46221 24857.58805 22324.79501 22492.57205 3173.233317 4935.772349 2813.615004 3410.538085 4842.149529 2997.72822 4813.448082 2198.81992 2148.575177 22796.009 33429.77107 27570.69467 25084.71016 29684.03491 32661.70093 28331.18491 21666.85328 28104.12654 27606.29102 21008.15984 27836.18961 19003.69869 13855.60372 5397.000228 28614.19818 4304.943665 21177.65366 3-(4-Isopropylphenyl)propanal 4976.534314 6847.042149 9448.061444 3519.9593840000002 3315.020834 8848.493062 4090.766753 13946.96892 14660.76941 179.9392648 73.66342927 731.2002293 168.0687363 1181.190983 1059.231006 416.6715621 891.5673846 1383.709864 23616.99757 13830.73534 16754.49024 7750.163702 6153.422692 1820.781991 3172.622988 1226.568559 1361.760114 371.8789422 683.4323472 173.6388351 518.5124232 257.4389796 122.0862152 551.9455882 629.5423856 347.9787348 11387.64115 8160.927025 18675.97088 15416.72702 5268.420454 7579.67811 1998.272125 1214.617948 1280.239305 34891.06545 25062.92196 13166.184 12954.12661 6063.216092 1677.508814 17314.483 371.4799612 7239.589709 MG(a-13:0/0:0/0:0)[rac] 6610.84727 3496.898608 6845.405548 8412.187426 10950.89788 5536.199799 4439.292984 12799.79941 3105.162441 3135.608639 2466.821208 3611.264131 3201.2691 4321.974467 5614.156198 20001.24467 38936.88482 5220.331323 5528.627375 3461.016492 6326.657351 5047.27522 11225.96778 4903.31714 5986.675865 13495.31805 4878.230188 7768.393458 1636.024639 2897.249895 3297.192399 1346.997479 3212.687436 3165.981683 22061.90919 2141.331969 2988.113722 4792.14807 3677.997952 12925.88215 8810.167458 6815.853687 6739.744071 15444.50586 3475.381546 938.1430002 2763.447572 6001.719303 3514.474575 2691.386876 961.828936 3684.580843 2791.364703 3307.724498 Allocortolone 338.961106 385.752467 403.6423154 1996.671805 1083.871844 1174.52265 2400.223766 977.585328 393.9984513 3293.910542 3854.951208 5589.773054 3023.803778 21913.1137 10727.87645 5513.368574 24740.86262 8738.637752 1198.405639 1041.507972 416.3393382 1125.838765 1577.903857 2618.759734 1335.855187 619.3044279 830.2964977 6986.168891 4448.398885 6326.957544 9837.609 12695.08972 4207.10842 7924.631845 8757.133828 4981.673276 1327.516527 1136.319041 669.5903801 806.3897298 1676.496506 2690.203488 1084.592256 91.17758466 747.7163087 412.4698391 537.8515485 573.3034493 512.4750576 692.3079571 7807.930253 644.3730266 2613.303764 1714.461633 11-cis-Retinol 545.1819821 210.2865073 584.5420035 4.07813e-08 4.07813e-08 738.9034103 1554.921129 4.07813e-08 253.7837574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 748.4881266 1195.354739 4.07813e-08 810.865765 1132.422876 3513.053166 2015.091823 2181.207706 2205.585799 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 594.6034412 555.5710483 4.07813e-08 204.6529193 1231.966497 793.9007242 3701.199074 2993.094186 708.1214096 1944.097562 846.6427394 718.2028486 214.1953642 4.07813e-08 4.07813e-08 162.3575189 4.07813e-08 3051.836079 6alpha-Methylpregn-4-ene-3,11,20-trione 3788.69556 1774.035004 2610.345299 2371.280354 2365.516196 3593.564621 3855.377324 2331.544268 1255.89023 958.8955743 296.6035839 4.07813e-08 513.1198972 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.3369848 6663.555596 7592.189079 4520.15036 5489.081013 7751.707693 8828.666851 6958.260868 5149.639232 6536.958388 76.55002721 4.07813e-08 135.4032034 125.0325765 292.6364659 237.0135106 188.0613421 4.07813e-08 4.07813e-08 4838.445528 5872.642875 5184.595986 5018.713613 6099.449793 5799.025401 8074.735685 4785.741923 7205.979543 6606.976972 4016.885134 6233.709925 4079.406991 2214.127181 399.7845457 4693.095406 569.0271519 3789.249872 N3'-Acetyltobramycin 4.07813e-08 4.07813e-08 476.2469567 4.07813e-08 4.07813e-08 529.208549 4.07813e-08 256.95118 658.8182073 2808.935889 1465.394016 11966.10397 3189.64531 29462.98833 32364.15261 8052.247145 34474.63968 10662.57977 359.2828546 508.8528929 522.7562438 156.1866605 223.528434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19517.05291 12272.77894 2121.734197 37097.14916 25470.30497 10131.45867 16999.13141 39357.31595 5059.233128 971.86513 4.07813e-08 1123.732045 715.1152798 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3541.389363 6157.773296 1240.099464 6655.231278 4.07813e-08 10814.20722 4540.26262 2394.2103 4.07813e-08 Hydroxyprolyl-Asparagine 437.5504565 1235.553395 719.4434092 285.3992543 481.6961967 894.7269121 682.2518647 654.8008468 1785.971053 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 124.3489302 0.002811931 4.07813e-08 195.9508871 886.4504639 1650.151567 1157.183515 1389.406055 1327.766761 1233.747535 866.2506519 638.0104472 878.6395778 4.07813e-08 4.07813e-08 1.750084803 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 885.2909233 1583.49037 1017.957019 1788.766608 1072.975516 750.1777663 889.7288576 410.7162467 334.0697398 2855.013372 534.0564636 1334.883482 765.4774262 689.9707731 4.07813e-08 662.0488207 4.07813e-08 1066.346535 (9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid 15939.31379 14451.33194 15128.44759 24345.73583 12847.142 11985.13038 9224.321994 9046.799991 16653.22572 4518.120882 2399.231249 2973.503761 4723.271188 2139.408273 4951.629753 271.7056506 1686.075621 2775.220169 30454.26313 7426.426928 19143.31862 13887.31189 20056.74959 23086.12762 8606.084558 7275.61137 6343.82865 4.07813e-08 1690.137879 3188.070396 1423.052688 3913.546172 627.9931327 2835.897277 359.6164763 1364.353297 10751.73899 10282.3891 15840.34311 11000.35594 15508.32317 16760.28049 20843.60608 5908.715641 16271.81689 7326.587006 8128.95905 9531.929734 11874.33279 9287.75436 3052.998747 13095.73652 1964.694673 14166.65841 Allopumiliotoxin 267A 4163.265548 4068.350984 4405.071033 4603.594556 4842.463613 4349.659265 4531.377475 3317.589404 4059.915529 3186.430447 2914.294239 2609.165052 3510.752618 3391.383566 3094.19597 3316.520115 1967.545776 3259.183609 2992.320715 3400.020461 3039.029956 3297.821928 3867.718712 3336.10209 3072.577105 3180.643654 3289.31996 2943.983425 3702.934185 4509.999923 4409.015558 3845.845578 2936.769945 3209.516003 3805.320628 3513.948397 3681.737669 3739.029238 3894.059999 3268.415401 2179.266726 2510.381486 3178.45298 3322.076635 3499.572273 3878.083593 3472.293794 3812.541172 3095.949838 3514.386228 2850.508516 3062.480357 3903.62288 3840.819984 (3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one 168.087913 4.07813e-08 1359.068485 1476.097628 1919.195405 1404.13636 878.0152912 505.6185206 4140.509804 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 516.4387083 232.1872174 284.8615744 2482.581803 4.07813e-08 3614.882492 5014.054479 3160.12598 1105.29245 3188.152314 4363.836729 2702.557528 28109.90775 10168.02273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 298.2867477 1613.927745 1251.436509 1268.543089 1818.740201 1222.06833 2186.895522 20126.68801 13449.24446 8166.439809 11663.2799 3104.84729 410.4301403 4.07813e-08 285.2840313 3601.445269 137.7733678 2144.268179 M-Hydroxydesmethylgliquidone 11951.43789 10514.51757 12440.52421 710.4664037 832.2825048 11523.21292 447.6034796 38073.85231 38489.30069 4.07813e-08 4.07813e-08 180.5479421 4.07813e-08 383.7253735 1013.029466 4.07813e-08 16334.14987 769.2498445 27115.03041 12151.12745 16698.5773 13706.78169 308.7188584 4.07813e-08 977.9949569 4.07813e-08 3.803295166 1196.926146 1438.869925 4.07813e-08 1814.283124 3544.473698 176.7467761 2541.771135 4976.784602 234.9923704 18582.30453 3699.191292 22562.3818 11614.20817 5149.742891 15347.315 4.07813e-08 4.07813e-08 4.07813e-08 54171.22525 63194.13161 25197.71337 37670.82708 8705.179128 2782.629384 34239.22071 4.07813e-08 1900.79289 7-hydroxy-10-heptadecen-8-ynoic acid 3215.473042 2936.357947 2636.115264 1998.109279 1803.337643 3765.752172 2996.381599 2828.086336 3481.247919 1113.849266 732.1215302 436.448823 751.6131016 161.7017513 366.4364601 1170.520924 4.07813e-08 263.3258446 2415.465137 2743.808033 2459.630665 2444.230063 2418.354525 3686.320895 2187.501953 2508.560583 6800.314482 494.1513271 879.8561893 685.7289059 423.1460068 386.3097012 579.4908727 685.662886 611.7505471 692.3417604 2295.43469 2733.660954 2208.538178 2603.664324 2691.73477 1857.839599 4905.001122 3124.712577 1769.965522 5214.306636 2762.28446 2873.987947 2718.104878 1625.171796 818.7351076 3188.733412 1248.726501 3900.970487 DG(8:0/10:0/0:0) 180.1512217 2910.178189 12541.40812 5906.94549 37533.38021 9610.892082 602.6696028 412.862621 160.0730729 3734.871581 941.0380888 4.07813e-08 3591.158874 4.07813e-08 2883.503307 559.9769989 4.07813e-08 4.07813e-08 3915.01522 3685.909507 2675.139005 6374.036443 6155.629669 4394.387492 2476.481826 4055.168776 3279.553525 977.0997367 302.5679533 145.7503158 657.3977084 130.9347428 5273.718616 6235.588305 1793.261388 257.9382985 4435.883305 2578.444494 3421.344172 2435.068423 1136.397186 4351.650162 1954.980141 3896.167527 4999.468979 683.2566956 582.4923295 1645.938722 674.0388671 2564.498926 399.9176791 2365.212829 4061.821094 941.1701063 (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide 14794.28804 22287.29879 11219.98577 11027.7267 12350.80721 15290.74661 19797.05746 13365.32595 23453.88169 187.1373297 4.07813e-08 4.07813e-08 905.8753797 374.4758756 4.07813e-08 4.07813e-08 4.07813e-08 1696.338309 9720.971784 8750.064454 14558.01725 17776.35235 11476.91469 7092.39743 11724.33789 3412.635486 4526.459231 73.11624684 439.5249215 200.391014 1819.919926 260.3167959 4.07813e-08 1399.639225 4.07813e-08 5501.016906 18135.09794 13357.77876 14559.12973 10946.52843 14135.06907 13417.81945 6511.495063 2784.736986 4542.808816 8369.594104 15783.73157 22029.05586 13762.57305 16912.9464 3447.124328 18396.33029 571.162411 10146.30229 TetraHCA 732.724038 551.3366593 2853.420817 6067.399745 3070.082196 2028.55732 2596.198083 1297.442628 2341.797822 804.9398544 140.8599359 12905.32526 494.7754354 5575.670486 15246.41297 12489.59697 43271.85072 31117.49862 1852.116595 324.6893021 1441.944957 5931.550057 2217.522427 2522.650672 1681.637366 7831.648953 3774.281696 658.715267 4.07813e-08 3821.094384 995.8712769 335.3841277 1220.166351 1294.231748 8202.234631 1508.930721 3960.270883 1544.861332 2676.194014 4340.434003 5329.150609 1554.488061 2745.231053 3196.182462 5762.949925 5829.618253 2704.136879 8821.030498 2770.367146 2459.623287 4.07813e-08 8720.732792 4.07813e-08 1433.075262 Sulpho NONOate 13999.15624 14202.29719 13105.13746 13865.80942 13449.14748 11791.98048 12056.57779 11215.19578 11715.85368 8586.352016 7690.20332 7982.734491 8464.53552 9325.623923 7949.919225 9443.526095 7679.654631 8942.463372 8397.210624 9135.998584 8773.841476 9679.195231 8958.390018 9048.337389 9344.223146 10070.81061 9750.593776 8238.776043 8898.726482 10207.952 10253.49168 8900.759589 8125.394165 7264.063159 8874.499631 9579.558224 10803.95932 9324.58066 9935.821137 9210.983737 7510.79822 8556.294345 8847.694487 10977.08201 9207.611328 11332.23889 10074.79518 10243.30137 9509.888742 9416.677183 7419.16087 9526.680295 9814.918792 12381.98286 Ethyl 3-cyclohexylpropionate 6650.227376 6595.685218 6278.892519 5886.274843 5748.109905 4492.308611 4875.683157 5392.141264 5428.536083 4075.754758 3299.573969 3384.265062 3800.882145 4031.705241 2913.005394 4761.566644 3994.611804 4648.943963 3796.668905 3850.381603 3833.525645 4204.111459 3598.122723 3974.105833 5197.017174 5153.098027 4619.011805 3809.931753 3975.154577 4794.431875 4319.599153 3320.307892 4843.978528 3349.352855 4075.437063 5064.687182 4497.671818 3871.942755 3881.051458 3383.003624 4038.13409 4614.399754 4179.880409 5864.478437 4801.492394 4786.231608 4223.803475 4165.93366 4730.813323 4336.022953 3718.503677 4539.131401 4699.162046 5646.916521 10-undecenal 6783.557296 6144.263803 6830.480526 6072.623361 6234.335977 5303.189122 5194.68891 6081.17196 6143.507348 4291.293054 3773.835118 3974.517067 3863.932834 4218.047046 3024.403744 5573.402455 3861.135297 4840.938776 3810.66197 4043.711123 3850.294232 4155.261925 3954.113374 3976.756704 5287.929623 5367.046442 4692.232616 4003.31504 3861.709379 4723.109024 4389.744657 3584.802581 4544.163484 3682.297345 4290.097782 5219.859016 4631.237578 3988.606627 4113.2318 3873.917111 4305.387701 4682.794112 4351.515613 5822.545145 4765.889618 4552.918005 4127.393201 4144.652969 5078.203279 5138.923912 3936.352493 4923.418678 4773.684579 6708.793133 ORTHOTHYMOTINIC ACID 6132.771217 5659.310804 5355.057466 5807.736091 5581.738506 4900.931522 4491.711494 5127.016321 5444.985301 3749.436341 3336.462268 3422.954285 3653.434526 3943.275713 3192.160149 4451.557507 3891.789468 3980.270239 3687.280412 3922.790846 3235.693629 4071.111992 3638.733703 3410.251187 4146.463918 4918.384914 4236.957776 3572.265522 3906.783959 4241.211721 4515.59044 3420.77079 4256.458613 3284.029222 4318.570805 4601.938667 3734.005416 3569.841909 3811.443081 3693.698167 3955.702202 4016.966039 3973.02367 4775.445588 4057.60788 4300.71199 4268.74205 4269.653294 4094.840126 4242.673283 3698.469856 4164.766551 3975.375922 5056.574331 Geranyl 2-ethylbutyrate 17716.64568 17174.09032 16695.2358 15891.43954 15034.65566 13507.02424 13408.53527 14912.23104 16897.97812 11003.12294 9814.13852 9789.122221 9735.910673 10837.69961 8231.936462 14275.25706 10811.65962 13121.26883 10551.63965 11445.05704 9366.828797 11269.78749 10117.67524 10505.78755 14179.88374 14627.66643 13179.60381 10091.63211 10648.3428 12708.97226 11271.4922 9763.1679 12057.84605 9811.440029 11096.51748 14212.62985 13127.88052 9822.027143 11205.22138 9186.527588 11597.30334 12542.98069 11993.21218 15367.75477 12351.50113 12897.23762 11156.46527 11110.75728 14748.10781 12399.08011 10230.42532 12761.76979 13458.93134 15189.96372 (-)-Borneol 1846.900112 1353.874513 1592.537308 1440.161074 1460.422733 1211.53617 1342.907775 1027.760761 1010.542828 784.3189885 884.7586138 835.8173975 854.9962933 1000.678923 804.7400169 757.8626615 918.5458721 962.1786576 942.4314342 942.0181924 883.2477324 1041.348526 804.4775807 955.9912861 996.7924891 1343.042169 1136.194825 804.2304781 1021.351339 980.1498676 950.5650501 827.4439518 851.3266257 660.9592757 982.7156432 1195.558315 975.876896 953.8220901 994.5941093 733.3636033 935.9887564 1035.388394 943.2427634 1333.427434 1077.411214 1318.87788 997.8377636 1058.914851 1057.698148 1102.684878 874.3027304 1096.790232 1010.266531 1202.450791 Ethyl (E)-2-nonenoate 4638.369005 4556.40873 5089.58928 4625.235101 4517.291325 3883.007199 3633.762216 4175.578478 4609.010296 3201.277136 2867.103217 2741.064955 3068.846432 2994.077972 2450.043526 3977.127633 2855.139075 3597.209961 2966.811366 3435.875548 2703.079555 3106.639757 2653.275832 2652.128531 3629.772535 3913.087336 3800.635089 2794.480429 3037.156065 3584.769478 3304.191411 3028.036029 3498.846561 2744.551695 3216.059051 3592.713297 3796.370469 2960.540007 3235.539793 2921.577829 3086.503489 3114.450234 3134.852051 3874.061276 3617.987169 3243.176341 3333.358896 3152.541461 3759.451358 3705.146247 2951.401115 3663.234394 3731.754473 4638.595992 (+/-)-3-(Ethylthio)butanol 24118.56392 23055.26904 7936.908747 22070.45512 1735.081504 9770.619732 26744.55814 35296.07414 38843.1012 6049.940312 7090.303684 5650.042037 4893.856582 4801.428402 5823.288093 7305.655674 4375.411614 3428.382774 1358.797241 1408.652557 2233.91253 1118.889998 642.0990769 1587.556754 1022.29248 267.0903313 861.4903529 4199.128573 5772.521401 5864.718943 6505.455015 3770.265152 3634.489222 4719.462262 4260.128783 8092.550007 1506.948924 2763.033478 4490.091573 1810.875375 524.7707797 166.7286734 1038.17793 244.9528801 115.3259846 365.9026963 15840.13412 5778.279745 13363.12963 14957.91391 2510.255406 1696.69584 8325.067396 2787.385142 L-Homocysteic acid 1441.887598 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 279.7240881 4.07813e-08 756.3524948 4.07813e-08 2580.383912 4.07813e-08 7819.686014 794.2478034 2356.821233 16167.47125 5857.468759 22272.2283 26113.99736 4.07813e-08 363.4401626 4.07813e-08 4.07813e-08 401.259788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3412.61394 6932.462901 5564.142825 18461.68634 3049.602836 2063.716444 14549.254 9084.680306 7350.632035 3119.669076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 507.5641847 1846.861834 4.07813e-08 949.9918425 3763.507353 8884.303294 1456.872463 1000.343819 3074.350375 Acanthicifoline 11667.9154 7715.131564 10317.92582 11430.83557 11329.21678 10790.96413 11472.49804 10562.9348 9822.184954 917.2077874 1542.751268 4.07813e-08 2046.885786 1294.753675 609.3812823 4.07813e-08 1217.712122 2518.318785 24562.30497 29171.11791 15416.42131 23206.68611 35245.29828 49764.04454 27776.57067 22953.04093 28114.66544 3468.449549 1679.302581 1095.271771 4.07813e-08 1108.75013 905.5022502 2745.469123 4.07813e-08 1075.672728 13811.91719 19030.53038 17693.07141 23640.82978 29725.01325 29982.61593 41613.8843 23483.30524 35308.9031 14526.88716 8845.560298 15079.37506 10201.23478 9130.189959 2755.976411 12316.57983 780.7976254 22008.02992 8-METHYLCAFFEINE 10386.39905 5684.200367 4726.513081 3321.682324 3986.521402 6853.677318 9652.153196 5870.482098 6176.805601 17541.71907 14971.90332 7997.435826 18686.47718 5463.137883 8892.967246 2400.160311 8386.166708 22077.2063 7060.642571 3880.761829 5378.635091 6030.533338 3210.407389 5177.417036 5214.963155 6016.081403 5151.436409 10396.79946 9600.653903 7649.329395 5088.52094 11168.21348 10048.31962 10703.30507 2072.02752 4252.043523 11639.5089 6524.40115 4352.718399 6485.669279 4073.16419 4320.419562 3891.07128 6261.906822 6333.305943 661.7161872 2654.631058 3727.167464 2153.17856 4596.576752 14121.41908 4490.103826 7111.139139 5548.978055 gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine 1891.397719 25641.26378 1716.248273 5778.002832 2268.223735 3771.133754 1222.677414 14794.91514 17037.49387 338865.7091 303492.6974 170858.5109 361596.3185 198565.7913 167211.7176 177931.4012 177217.3817 279155.8398 4.07813e-08 4.07813e-08 1.421673684 4.07813e-08 343.7264247 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 211140.2037 255140.4436 298139.605 178814.4394 321081.566 214024.9781 185646.3792 113312.7446 225072.1176 4.07813e-08 2.261488763 4.07813e-08 4.07813e-08 4.07813e-08 2.392127323 70.62061015 4.07813e-08 4.07813e-08 4.07813e-08 2180.224573 1189.932946 12979.4754 29306.26711 263436.6959 9280.505576 239098.2611 2382.305355 DETA NONOate 23751.21667 33455.49903 21493.03196 29461.52701 23888.62591 18237.74976 28959.14627 18653.62397 12574.47652 42269.28259 40294.2236 25312.46832 43343.10952 32226.94884 37603.92151 29354.53439 27582.65899 32639.83811 13787.29692 14974.23374 15957.2401 16994.26989 19402.50371 14434.69606 20022.61947 43642.98907 26592.91193 27069.23417 35404.87317 37659.39713 21875.84441 51555.02299 44885.08342 33685.52025 22682.8095 29939.0152 24223.42796 15412.71254 16982.76789 13429.44481 13267.48824 26060.72582 12578.59511 32488.78652 56970.45719 21998.90419 18136.72709 11020.48687 28208.05542 31220.52134 39636.12868 22202.91875 34179.60811 19670.12939 Acetylcarnosine 21627.19507 57801.84739 18865.64866 29073.6084 22176.2785 18778.46385 26117.09444 24216.61038 36470.84012 65379.1642 69953.21739 43924.26355 75723.62079 46490.90808 37483.88726 29759.51433 27490.90599 57632.46867 27287.64454 21611.98348 20570.52989 13524.56673 23020.25785 18030.20813 20623.95148 18085.08355 16974.73853 47844.33248 52848.06773 51217.91337 39186.87456 64542.64844 54888.40951 59955.26325 25118.99884 54582.92696 18426.15114 22233.04117 20012.86901 18252.44716 19264.64798 20073.53311 15903.96373 16928.93234 22094.69574 16536.18701 11177.33183 13705.95299 15539.22417 39911.43233 66235.44624 19055.38687 55260.5118 21180.95836 3-Indolehydracrylic acid 22614.9202 7736.690753 9053.624403 9980.269655 10410.10313 8061.729009 10778.31043 16234.69493 5644.61702 601.4986081 813.5894211 1588.329464 567.3502587 992.8241353 458.4299472 4.07813e-08 4.07813e-08 689.7110605 30402.70856 14604.05556 11333.37886 15306.46284 25766.94147 14701.20978 17248.67735 26042.01403 14071.28667 664.7212197 680.6165903 948.5291744 91.6498535 825.3788966 4.07813e-08 30.85997746 528.6649794 4.07813e-08 20448.77408 13776.50088 12051.91546 12161.85496 16587.81484 37506.10185 10739.8495 21631.20835 68143.98593 8913.398636 12146.06413 7788.687435 8306.648126 7800.353047 1623.960088 7260.538394 605.8335784 17067.7574 Phoxim 9909.90472 9353.915513 10099.79358 10787.13401 9141.239138 7701.51335 7075.053105 7089.281701 7784.698562 7013.925917 6043.933636 5433.493264 6876.368634 6317.262112 4840.203527 8425.161534 6273.502302 7080.518374 6881.59231 6232.747109 6105.026127 6983.34588 5347.259957 5816.858943 6201.890859 7209.112265 7587.357855 4418.309124 6266.240774 8456.840468 7692.308426 5870.586333 6514.30315 5321.720094 7388.981904 8650.898623 7838.136033 4938.333813 5184.483154 4216.418254 4482.689351 5570.959238 7582.837127 8332.236358 8142.139896 9228.51745 8425.657005 5803.956519 4996.003116 5691.125824 5407.107926 8323.269357 8458.162155 8033.358822 9,10-dihydroxy-2-decenoic acid 1113.634021 727.318935 3816.272124 1148.68052 1583.967356 2434.153568 2551.428003 1287.291803 2583.900027 4.07813e-08 4.07813e-08 189.9289302 4.07813e-08 4.07813e-08 4.07813e-08 267.9153016 4.07813e-08 4.07813e-08 9912.719641 3253.185976 4099.184102 4721.138538 7847.189497 7351.785526 4132.401274 6107.08123 7724.621075 4.07813e-08 4.07813e-08 473.3666366 4.07813e-08 4.07813e-08 4.07813e-08 215.3134609 843.204697 4.07813e-08 1811.577691 4035.127101 4413.923894 6048.396419 5658.551217 6376.77421 7408.731099 7602.128072 5183.149974 7476.388148 1979.518262 5522.216687 3831.733456 3544.770164 4.07813e-08 2686.573354 4.07813e-08 2646.611127 Lysyl-Valine 21429.88995 22522.54686 12468.08233 19875.74584 7056.713742 18430.20103 23320.10945 33368.11974 40475.43105 4305.159602 3864.791109 4414.85623 5419.275713 3222.7784 4849.768338 1446.803404 6687.853485 5692.758344 9197.054786 9252.559318 11303.55013 8430.94034 10687.47246 11940.82613 9535.074116 11404.02091 13936.98075 6760.351057 6371.749217 5447.372888 5719.196994 5377.821281 2960.59638 3857.647649 4201.741447 5167.086369 10068.6373 9106.69524 12912.07377 9128.202464 6170.750748 8024.322546 12425.49843 12101.80991 9229.024673 8851.209158 16055.02002 11019.6033 14659.27531 20534.75885 4620.392978 12566.2856 5722.261875 9363.544856 (2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid 1070.271104 8294.791045 1305.699198 2129.934492 1853.700828 3904.171983 3242.643483 6386.41856 15188.75455 14065.31011 11331.89543 9734.767761 16671.36017 6392.650065 9547.901664 4173.406329 13699.43359 9085.181286 4.07813e-08 228.9149337 497.6699874 311.2884356 4.07813e-08 4.07813e-08 703.2575072 4.07813e-08 4.07813e-08 17885.81446 13068.1555 14632.53555 19865.96534 13938.34458 13636.64189 21747.68961 11828.81985 19997.71316 1465.567715 295.9248467 4.07813e-08 4.07813e-08 123.759817 135.0605297 4.07813e-08 447.7121034 4.07813e-08 1356.487116 4812.144181 2006.660445 4536.437792 9420.391089 16452.34166 6678.995368 16480.31348 7722.373319 3-(2,3,4-trihydroxy-5-methoxyphenyl)propanoic acid 7277.215444 9266.656647 10755.2055 14400.26641 13523.62063 8912.289703 9679.896708 4744.67594 2375.261198 13594.25231 14487.73156 13163.5877 11868.42055 7043.153767 5937.061216 11464.78878 1790.394675 2537.778577 13694.4893 10067.61399 9931.193014 9881.775274 11379.80958 10216.3512 10389.80356 10231.35386 10232.61957 5932.329128 6866.571479 8929.449841 5542.494483 7696.297384 8789.084997 8889.937563 5959.392689 9690.289087 9159.805577 11066.95801 9454.672301 11477.70252 10272.04097 11366.09287 9110.171395 12457.4099 9219.98884 8146.698805 8736.136655 7213.725907 8067.129317 9407.171535 7456.262152 8385.93665 14699.39108 9811.445511 N-Acetyltranylcypromine 2013.530406 1040.796588 1352.866386 1819.960132 1895.061889 3072.68219 1939.824026 497.8127508 514.5541203 4.07813e-08 69.75728666 68.82979781 4.07813e-08 35.55371796 64.79516113 4.07813e-08 132.3282165 40.69033471 2667.275581 2657.337351 2769.348982 2929.201326 2952.434575 3211.091348 2198.371995 2356.07223 4056.006249 4.07813e-08 4.07813e-08 57.77546926 70.82665331 4.07813e-08 128.4367174 58.17815011 4.07813e-08 4.07813e-08 940.4354638 1927.573957 1680.740581 3196.278173 2572.264943 3212.722253 3123.821353 3813.919962 4094.476315 3215.068546 1321.657047 1014.795211 1295.09445 443.0687739 98.38053647 761.1478148 4.07813e-08 3188.243266 R-4-benzyl-3-isobutyryloxazolidin-2-one 5716.388778 4630.757105 7821.809085 7602.943555 9268.173853 8371.107447 8587.913236 8242.889679 5728.584881 54.32725183 6.998609478 59.02438327 224.6090832 175.9524149 57.54077162 48.61876256 263.4030742 12.57698277 22532.41409 23631.81994 12356.8572 20378.66621 26445.15212 23031.91265 20881.49397 19606.28681 25363.20857 256.3290919 233.1735232 339.8598484 462.5240048 247.9018043 233.2591335 282.4477146 230.9807566 133.1105065 11002.83159 16321.26614 9892.000168 18608.58727 20902.94532 27472.48718 20411.36332 22386.00237 30140.34918 16334.12028 11132.53527 13840.59815 12250.25158 8839.897696 230.5925309 13908.35974 138.4175448 15982.15045 Proflavine 4377.527903 3513.039837 2554.690462 1807.610032 1749.608918 3162.930331 3408.056872 6363.994807 3624.452746 1327.998556 886.8830454 440.0868752 1325.98998 430.7753395 4.07813e-08 71.91971635 228.6755161 1245.56008 4679.270332 4480.286684 5160.318559 3875.814781 5093.36014 4503.821048 7075.822199 9145.651844 10010.11642 672.902405 487.1892969 2212.280395 326.0343874 1463.133669 1256.379204 985.7017077 306.5392853 717.0073703 2869.040985 3821.154428 4069.474434 4932.088323 4398.598977 5675.159258 3931.942236 10982.09555 15888.08197 2993.68162 1906.05995 3215.242496 3976.289462 3613.14641 1363.233741 3863.220941 332.2435391 3405.301265 1-(3-Carboxypropyl)-3,7-dimethylxanthine 1699.655401 7520.839918 2214.228114 3079.003297 2797.587164 499.7695632 2441.781691 2392.053112 1389.535092 7687.802862 5380.012415 6527.486308 7366.244801 6297.307639 5316.326783 2376.540984 9966.291889 4121.981871 709.6930833 624.4429432 634.7294116 591.8284061 1269.834932 856.8777524 1050.567719 1434.553277 286.9469118 4715.08762 4213.913791 9145.100325 1717.611618 2802.582707 7548.313899 10018.86701 2979.313457 4851.818874 3034.60594 2236.996728 1681.74605 705.5959738 687.7546339 1452.388137 107.1652041 1659.528154 732.6833664 198.58008 136.3579737 668.567627 1100.015929 1883.188089 4130.05423 255.5001437 5678.19656 345.5773161 Immepip 1370.919676 3867.69737 951.7263013 1519.591759 557.3103806 491.0965402 1821.496503 3164.150135 1319.403768 139.6472265 72.77988267 36.42748173 101.3169561 431.8975005 147.2384614 4.07813e-08 84.05443488 48.97483937 71.34064091 4.07813e-08 186.0758471 4.07813e-08 21.84486025 23.05268302 191.4172677 242.4730345 47.96821928 184.278618 40.94672942 0.798643752 130.4727333 80.07797351 73.88837355 273.4174057 4.07813e-08 121.3697597 51.30242986 4.07813e-08 389.4356108 161.1162883 4.07813e-08 46.5509643 4.07813e-08 4.07813e-08 4.07813e-08 99.6688955 739.6373543 389.8709127 1364.500755 3982.795066 46.06961079 846.7730463 250.1022748 557.3326595 8-Anilino-1-naphthalene sulfonate 3252.697362 2109.388206 1654.562372 1040.047524 1178.79487 2044.444606 2032.580699 3016.486982 3528.281754 592.1967378 760.1974251 381.7492683 893.0233656 214.7826214 387.1698586 4.07813e-08 982.6350525 672.6873917 4185.260774 3354.147423 2842.686401 2807.635974 3139.691513 2999.977095 2752.522855 2650.882385 3063.739473 622.572914 665.3121686 462.0052002 285.0299719 727.7714574 484.6418378 632.4289705 143.9010718 153.7524955 2732.4792 2851.966672 2637.828637 2171.196794 3355.485332 2756.871363 2902.637393 2979.368344 2692.939839 3632.152161 1836.285395 2891.879566 2142.87566 1582.720799 843.0960312 3497.511019 213.2750364 3107.760404 Morindaparvin A 7958.853812 8071.675821 10120.29512 8060.492749 7759.718071 7342.968256 7403.535311 7413.592487 8346.198739 4.07813e-08 4.07813e-08 0.179717368 0.891194786 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6177.216772 7402.061979 9195.750198 6332.754738 5485.732045 8262.106675 6149.332118 6867.239946 11112.36112 45.11959776 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6177.319222 7918.143873 8759.24446 7183.991371 6498.649125 6118.612998 7094.924825 8022.196245 4549.998311 6039.410655 4888.838883 8159.995503 7692.418126 6090.865227 63.80772891 6900.47728 4.07813e-08 7418.386775 Prenalterol 17006.73935 21946.67857 16855.56959 22365.16214 15769.21065 15830.51976 17477.42951 24257.0127 27551.56017 4749.598656 6177.497797 7572.774529 5620.503174 5893.91005 3408.644091 4024.690371 4853.579452 3973.645211 18764.69366 15289.57464 17340.91003 14241.27097 18373.71177 19580.04775 15849.22018 20030.68945 19930.68251 5510.472876 4625.229295 6632.946929 4878.56779 6744.528452 4693.085617 5588.345463 5375.060292 4647.723016 12044.62337 16306.15566 16441.78851 16951.70527 17123.29661 15899.67536 17665.2823 22552.71118 22895.03177 13510.17138 14165.67662 13785.47132 17049.35671 17777.86585 4509.636951 12896.84128 5887.623507 11258.56908 Undecanoic acid 6360.315992 5837.507826 5864.352927 6620.337232 6454.545435 5371.657365 5134.2096 5562.358775 5196.365811 3705.993503 3332.329444 3192.610034 3410.031234 3462.741009 2921.139872 5179.455195 3846.499188 3930.018072 4152.605528 4092.565918 3535.201796 4234.541333 3840.590136 2921.224861 4928.478423 5057.627289 4555.842086 3365.265381 3140.927541 3927.446007 4096.986749 3450.940488 3984.317386 3638.460798 3894.428548 4713.605807 4345.985987 3452.132324 3874.285847 2914.543117 3972.657264 3852.186839 3578.759917 5596.734984 4792.614421 4655.041378 3979.892453 3515.837975 4252.030713 4403.16879 3113.437882 4167.312444 4560.640964 5144.152009 Tropicamide 26618.94357 89034.49015 9804.29173 11845.16027 4706.540187 3749.731965 33035.8339 53676.29836 63443.64083 107570.5689 147145.9459 66302.49476 120403.9719 56986.02942 97025.05853 162253.666 64268.34779 80721.76278 1510.093031 1740.350341 6218.672423 2088.277442 2481.344177 1910.279334 6466.588202 1787.77429 2144.953626 118373.2824 152396.8696 101739.8522 209562.4831 86345.67313 130499.0172 246778.078 133266.5553 206816.3964 19693.4413 7412.707058 6523.905321 2807.908551 2385.961733 2369.363778 1904.173255 1910.112549 2768.724369 1340.866124 2109.080232 5377.64527 14886.38256 60000.78678 61160.40182 7320.649992 46696.89579 5479.635168 (E,E)-11,13-Octadecadien-9-ynoic acid 14492.79918 16488.81841 24513.17148 22857.6649 26369.70741 18184.45652 15215.66161 13998.42925 13684.6869 11232.26164 9285.186928 8145.583255 10941.73142 9414.403863 11754.33042 13270.79318 8101.712481 6810.738801 13494.68986 14895.21725 16044.3826 15307.22778 13238.67765 16802.64394 10507.4282 15412.70153 12060.44377 4467.253408 6299.875794 9998.669052 6736.977687 6284.581283 8709.463793 7012.462854 11312.99783 7276.423384 13410.08275 14052.79944 12260.26084 12083.03654 15192.47533 13225.49401 15262.14314 14740.23932 15439.5968 10155.19679 9296.115463 12227.02896 9147.116898 10467.60449 6082.786956 11934.99466 8064.458484 14337.18988 (S,E)-Zearalenone 9566.525275 5925.876895 4637.789266 695.3972001 1670.331797 6569.70695 9232.602428 7473.273579 4955.27017 1807.698137 861.9198195 4.07813e-08 722.5462795 4.07813e-08 594.7693129 4.07813e-08 1220.17595 3695.716678 7613.514696 11868.41803 16565.44818 13336.90572 16367.05946 7531.608492 10794.01949 12101.8422 10764.6683 4022.582939 3349.590081 379.5166391 3136.27438 5216.772474 118.9682587 3321.46527 984.6861826 500.7570114 11565.75758 12293.64382 17247.18481 10579.76582 20237.78088 13032.8585 8570.243565 16575.13604 10261.0484 9974.221535 9770.927196 12703.97761 13963.44458 9011.439106 7063.223498 12431.10205 2821.572858 7713.632488 MG(18:3(6Z,9Z,12Z)/0:0/0:0) 6400.582963 837.0950817 5842.527324 184.9572448 398.1801284 16774.93506 284.8165247 4231.626745 1570.379558 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4121.263025 6587.682837 4749.530599 1957.149348 5914.518417 6878.153092 395.5250281 6037.179324 5619.741687 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13147.74742 8101.435258 10651.93722 5178.296966 4339.575929 1628.643267 6325.89359 2047.390841 2246.606987 237.4067176 1421.352518 986.8231772 5200.247331 3200.078794 4.07813e-08 224.7394186 4.07813e-08 3496.478401 Kikkanol D 44418.06029 42283.69624 40836.54207 39759.68304 38988.63969 34430.09371 32932.9973 41965.95074 42044.57443 27565.72952 27739.38159 24561.19539 27049.93927 26492.54752 19388.5679 36541.09631 29266.69293 30161.21912 28963.21895 28746.67777 27159.62852 26590.37251 24313.31893 26917.27316 33986.58552 35410.72358 31935.74442 24826.74916 27444.57348 29888.99151 27991.9344 24911.04305 31024.74936 27100.55663 30543.03429 32393.70658 31598.27915 27800.11053 26984.14834 23800.90053 28276.08063 29979.75358 30512.73578 35172.68839 32350.00244 31358.12479 28657.74914 28279.60734 34693.59245 33008.19508 26702.03423 33024.44453 33291.81598 37253.68663 Pentadecanoylcarnitine 7397.127369 5036.487744 8837.927343 11217.82558 11761.28812 50103.56745 10850.85459 3050.236649 4100.501548 777.6112256 696.8432137 284.3313557 481.1369275 2031.263841 929.2277159 378.3554895 1376.312485 1335.15436 4202.094104 5281.497129 4042.750559 7491.62285 10609.02535 14747.40396 4706.878078 1727.526359 7596.658722 79.51840254 204.5642516 1108.832124 548.4846156 1254.963109 121.008243 1452.551099 519.4430813 208.9740027 12612.85385 6837.10747 3627.524053 7980.436769 8433.563952 5408.277161 16470.21997 1805.802953 5414.377287 2419.963743 1138.554167 2517.46649 2340.316581 1088.341349 82.25330817 2440.729873 4877.036264 6388.039886 N-margaroyl taurine 213.8210345 693.4915446 3355.491657 2353.777392 1469.444602 3614.296526 4181.948025 4.07813e-08 560.2306427 4.07813e-08 0.037426443 4.07813e-08 4.07813e-08 3.34877613 4.07813e-08 4.07813e-08 1.787908505 178.421642 4045.979729 330.717133 4968.912114 6980.992665 7734.810836 5717.387173 3124.914283 751.5662782 1127.749533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.649022641 4.07813e-08 4.07813e-08 4.07813e-08 0.034414509 7665.875852 4206.30623 13369.70995 6296.214764 7687.650092 10697.17428 4243.112689 886.7718218 1789.854681 6196.578547 3313.250411 8388.79815 3625.109946 269.6877424 4.07813e-08 10508.92388 0.015948861 677.0645846 trans-5, trans-8, trans-11-hexadecatrienoic acid; C16:3n-5,8,11 36463.05785 35476.48949 35198.52174 35735.06587 33177.4555 32463.70978 28591.49702 37911.21584 38293.9209 23253.73408 20218.17195 19369.02178 20523.34707 19233.36433 16118.48228 32399.12755 21768.65901 25367.99429 24995.88776 28363.12105 26373.33161 25697.42178 25486.93132 27074.23767 31469.46533 30695.4627 29445.34409 20210.04496 23274.22464 21832.94195 22023.17731 18751.36884 24901.68369 21648.914 26054.35234 25940.93124 28802.25641 27568.01075 24927.82165 21951.74405 30093.29645 30417.9638 32569.19299 32034.92178 28907.8292 25374.10569 24338.21168 26933.23197 30559.72021 28581.27854 21395.05984 30751.10697 25868.91936 33939.79278 9-Oxohexadecanoic acid 2526.06159 2072.502594 1951.704091 2434.356556 2110.850767 2327.483538 2201.834448 2164.371478 2066.468563 1436.570613 1288.937104 1554.631091 1384.376524 1744.096893 1283.133595 1858.392223 1630.674874 1585.432679 2628.257239 1423.883105 1847.966252 1822.993209 1673.530248 1510.642325 1595.313976 1929.775209 1879.805574 1871.014318 1772.650653 1861.740886 1812.554351 1403.365802 1237.839577 1336.818686 3202.411451 2999.170586 2163.876348 1607.902836 1147.409285 1683.661138 1423.979484 1590.576663 1670.201618 1472.351283 1526.171978 1869.596361 1633.069081 1822.54187 1753.271464 1537.263637 1317.842576 1996.049739 1726.030811 2275.733911 trans-Hexadec-2-enoyl carnitine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 919.8939626 3349.083588 100.5122475 4.07813e-08 9715.254708 305.2352713 3500.386712 9548.750242 1894.781219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 975.4812051 2237.8154 1360.68861 4.07813e-08 257.9760977 1498.871895 3066.767777 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151.6510314 4.07813e-08 139.6244491 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2451.186504 4.07813e-08 4-O-alpha-Cadinylangolensin 4.07813e-08 4.07813e-08 670.3124606 2166.329674 4.07813e-08 3579.161452 234.3398671 218.6857302 1959.598902 4.07813e-08 502.3022504 216.47076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 729.9868314 8609.849584 9797.03821 4024.093282 4026.891091 4631.264195 5904.01897 5544.206914 7395.43469 5647.072859 4.07813e-08 4.07813e-08 178.3121114 4.07813e-08 180.4252766 4.07813e-08 4.07813e-08 4.07813e-08 296.1344744 1105.938954 982.042168 1417.567593 2819.340661 11913.50952 3343.626373 6919.489582 5018.641188 6537.243491 6132.663348 2967.59447 3554.636345 794.0429942 414.6124134 4.07813e-08 2186.996659 1282.81862 1490.875852 PG(12:0/0:0) 874.6256701 1586.862736 1911.026826 924.968385 480.6981987 669.8060254 482.4174892 666.5661514 1096.287896 1392.342054 2006.451463 1165.058262 241.2700362 559.1337514 479.7731586 180.1918011 963.8550769 898.0933104 706.3169536 294.6171896 768.603369 1290.032713 1368.995244 722.0337493 205.8402132 1182.914799 2361.547202 467.2379842 1272.337596 1380.512689 1212.023927 141.1450283 965.1575404 1222.778644 1361.74519 1702.908772 1488.854561 497.6947308 1027.706714 418.6431314 756.3467512 894.0559682 1595.775494 1384.146268 1147.757892 443.3992024 1022.14724 1163.872087 1348.99287 1374.152542 1245.203056 1624.869596 851.6095545 408.7949144 Dioctyl hexanedioate 38393.24181 38029.53799 44915.17343 55059.52683 50388.96279 39172.88516 34874.42639 30159.77852 31319.8645 17668.33006 18279.63427 15700.10402 18831.42323 20469.0061 18145.82512 20002.12861 15861.28048 18936.91064 24134.87903 26492.30924 26906.99816 27167.70418 29428.77716 30511.55529 22310.84728 26329.61186 28788.87874 16294.80798 19154.46802 22732.51649 23412.77212 19560.7523 16982.00721 16722.31375 20903.74062 22516.40962 28756.77607 32095.19362 27573.49144 28910.94711 23465.21349 24374.33604 26757.68521 25192.11895 30988.07264 27420.675 26102.8255 28815.70677 25081.11403 23971.11514 15497.07245 25210.56891 21275.44278 32407.51495 4-Aminobiphenyl 13972.2336 13025.32106 13512.90789 12849.80957 12648.01957 10171.09759 11208.33457 11466.78237 11004.75244 8252.288154 8206.325413 7673.475136 8095.616479 8341.234909 6345.44737 8719.790472 7399.25764 8792.279423 7447.136372 8551.904706 7491.345212 7986.684255 6991.558023 7199.116099 9263.486372 10109.68181 9780.29128 7999.128428 9194.780044 9278.506105 9522.634171 8145.523917 8198.311802 7675.76461 9069.938003 9228.4979 10641.36503 8577.372331 9065.636065 8038.534749 7005.521905 8070.460781 7993.878907 10784.14383 9565.694157 8400.708339 7802.755392 8621.942755 9456.848971 9414.215037 7564.496959 9138.315568 9788.97821 11530.85929 13,16,19-docosatrienoic acid 13881.49039 13632.5359 12623.49722 11976.24103 11477.62138 8934.754245 10147.14491 12276.26303 11938.4991 13340.38026 7819.664228 11197.78358 10185.19734 10831.07446 7150.645506 16232.13195 9458.328951 13359.54993 7574.037979 7984.151149 7359.852812 6857.542749 6802.009927 5960.380353 9332.944439 11423.27009 10403.40056 10197.58033 12536.81682 10815.05238 13009.76125 8743.244392 11703.87658 13514.51752 27450.25114 13306.92423 8231.647835 7882.971877 7842.063739 6999.356106 8842.864201 9947.242096 9675.483557 10195.73487 10272.67106 8647.632613 7937.436442 9501.753362 10313.56058 10488.62058 10714.67576 11131.11247 12445.45009 11442.38776 PC(6:0/6:0)[U] 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 215.580903 191.3160822 4.07813e-08 4.07813e-08 196.5239681 4.07813e-08 4.07813e-08 479.9094714 4.07813e-08 825.0630335 4.07813e-08 4.07813e-08 4.07813e-08 2625.939229 2850.443955 959.8611948 2140.571526 2366.631597 2485.919492 1747.911576 1460.349915 1533.883 1197.697058 1709.062161 4.07813e-08 924.3410118 1150.901615 4.07813e-08 306.9664883 4.07813e-08 4.07813e-08 418.0709949 676.3329427 596.789844 2131.44779 2193.01339 1154.303075 1177.811018 683.1595949 1968.429424 1313.251466 1751.528375 1113.333396 4.07813e-08 4.07813e-08 1352.289026 1107.904887 808.5010524 225.0334623 11-Eicosenoic acid 6221.263733 7419.362966 5673.202755 6382.737976 5616.686217 4091.500652 4703.799155 5405.56307 6308.926176 9659.547181 9221.084708 3473.91243 6550.169334 7937.378484 2680.838787 12506.67818 7514.506284 7947.42184 4197.840747 4491.464592 3602.735128 3569.459431 3040.840341 3533.920549 4851.068377 5655.2151 4385.73957 3384.430667 3743.626567 5697.930884 5442.582744 3466.307093 3853.296365 3904.288931 5529.480295 9321.194972 5003.40842 3491.099599 4255.668575 3442.889491 3955.982648 4438.205261 4255.948803 5071.843939 4447.821145 5098.336501 3997.642322 4430.181596 5323.544892 4821.025303 4203.696553 4591.415771 7452.056847 6183.029443 4-Methylthiobutanaldoxime 2737.654964 2460.461708 2490.267772 2541.596212 2652.263088 2129.521661 2246.809816 2106.337915 2523.020892 1663.250573 1461.2861 1514.743767 1811.296466 1659.705857 1592.212397 1883.576713 1245.653575 1532.610114 1624.326362 1568.23843 1625.391629 1738.626675 1540.413971 1705.771847 1914.255588 1925.06476 1885.538933 1672.584637 2044.657459 1632.991963 1887.948447 1808.466861 1753.613906 1376.899721 1527.213589 1798.618928 1953.152311 1814.450086 1844.767943 1519.648055 1571.724881 1570.900075 1482.65704 1982.557325 2006.787424 2128.844845 1895.79484 2033.181707 1957.621815 1933.68185 1338.090627 1914.017272 1776.748522 2244.242274 1alpha-O-Methylquassin 719.6016273 2398.589423 461.3973087 2013.837414 435.269213 2146.0263 7594.859684 288.4789747 3658.917019 5505.042152 4.07813e-08 4095.687031 4704.921742 4414.022691 12789.55514 1398.35954 971.4060164 2500.418039 4.07813e-08 42.45226764 278.1630766 328.2146464 90.78372354 46.4609276 4.07813e-08 4.07813e-08 20.27532283 4.07813e-08 4501.099466 1397.759712 8810.68573 579.809886 209.7019707 5626.107496 4.07813e-08 14426.56438 1327.480425 10.27763676 255.2673005 10.59881603 112.9155418 21.09555126 20.40998006 4.07813e-08 33.92571309 4.07813e-08 1123.257055 2389.899918 2340.836333 1135.99192 8881.200266 5105.119669 896.372167 1595.570698 Norecasantalal 1783.367764 2692.898177 4561.74594 3446.256191 3515.461347 6660.150583 4786.787496 4140.97556 3891.957082 1243.596768 673.5374145 2466.865007 1070.683091 2443.180107 2675.975805 1540.193654 4522.630857 2140.133326 5850.519427 4832.90155 4106.858575 3383.240552 3527.628199 3891.962801 3143.00975 3179.662673 1582.469282 1145.473333 2351.972607 1187.672932 2358.855152 1131.16819 1000.870302 1899.237558 2640.19386 2084.345278 4415.465705 2204.019572 3271.937416 3041.519798 4396.005527 2823.354421 3161.300556 2706.163881 1804.518887 10184.04022 8135.3222 6543.306523 3755.934001 1879.530784 1363.553859 6034.738207 912.9695027 4961.208328 (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol 24383.72334 24461.82604 25107.97465 24486.97834 24917.75365 24792.79002 23544.07481 22102.48218 24488.51102 14211.57815 13495.54949 13908.11796 14841.23953 15006.31148 12914.60277 17788.6508 14737.57769 14990.87897 16719.92999 18196.1362 16648.97142 17802.69212 15756.70586 15983.19734 18487.41107 22249.36956 19326.22399 13112.62161 16374.79824 17568.70308 17219.11187 14923.83009 16734.80069 14419.19259 16538.29653 17677.6894 21045.75364 16995.08104 17002.08932 15497.92198 16836.24588 16878.04448 18290.13482 21797.35529 17314.11984 23279.73619 22934.57577 20341.06945 20236.93494 19443.94454 13369.47404 20440.3714 18182.91662 23854.62297 Dihomodeoxycholic acid 5105.834935 26930.3192 30418.86903 40261.4494 33097.26822 35804.1819 41355.35428 38665.56089 36732.27933 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 124.0754995 4.07813e-08 25865.28522 20556.11815 22307.62927 18633.53261 16986.21059 15039.73987 17758.39885 21157.52077 7651.421268 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 138.9629247 4.07813e-08 33580.77331 16544.46572 30509.19371 16936.532 17563.79348 13786.34348 14532.30131 18225.79794 3033.060977 41450.58821 36882.99319 36171.17557 24590.88506 17338.50297 1207.866019 26811.14886 155.3746273 30815.51615 1-(13Z,16Z-docosadienoyl)-glycero-3-phosphate 31081.56525 62727.83923 98359.3488 73759.89238 64771.72732 81170.02594 68943.5778 200311.3931 162733.159 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 446.8357831 4.07813e-08 1304.166631 4.07813e-08 93134.06066 78233.66251 69274.03005 45844.80096 34240.51562 41120.62094 130193.574 97139.2435 32973.19338 4.07813e-08 4.07813e-08 4.07813e-08 61.92579435 4.07813e-08 4.07813e-08 1076.752126 4.07813e-08 4.07813e-08 74113.67918 29155.58385 46508.10605 27196.90606 139200.7441 82094.12278 80351.94673 64908.49124 17609.30064 92175.73753 74880.81415 69939.70967 154231.8385 83021.74509 14700.95509 125122.5256 1595.137218 90594.39869 Tetradecanoylcarnitine 42376.18152 43455.23832 40072.83706 45391.29042 42657.18852 33861.13533 38168.63786 38022.42542 45564.43812 22624.65179 21053.96259 21380.30636 21351.06308 20073.0697 17162.66022 27814.02778 21738.56772 25114.57442 24809.24103 25368.19463 24522.2827 26736.79564 21923.96838 23445.7687 30976.30142 38883.41573 32820.15524 21070.04444 23669.45497 24484.65994 26530.9389 21751.53157 22088.38556 23300.81159 25367.57049 25040.22788 33569.63619 29534.88457 24883.35411 24874.56379 25433.86394 26842.00166 28981.8764 33721.62732 30020.942 25936.84244 28674.37204 25017.62101 35225.30204 32202.63812 23911.55381 31209.57933 27454.10913 33571.91129 Linalyl caprylate 936.4223195 1509.084469 1178.423528 1916.472628 998.1974971 1103.487872 1127.856189 854.8634818 1948.288301 851.2812219 1077.264474 700.3681922 861.1318059 831.3453931 729.9760865 888.4395764 623.8686708 766.9378203 1516.478936 1554.147753 789.5385151 1163.896543 1327.906444 2127.651471 330.4858933 2115.975185 1619.769636 692.5617468 445.0129381 667.730886 841.6215071 676.8543875 363.9005053 421.0016587 1227.452399 1055.310112 1012.558336 1193.43613 920.2589778 978.2677926 1237.205964 1383.96904 1827.414572 1428.001588 1790.32275 1238.33524 1151.167202 1617.335461 646.6572005 666.0860959 450.7540919 1771.840584 787.6792821 1438.420222 1-Docosene 1142.833666 1233.126556 887.048978 1042.229657 1107.351306 1109.621559 849.2001386 1060.535013 1007.564572 2868.461727 5226.553662 939.1716653 1585.946696 7862.635674 759.522355 4805.205529 2468.595278 1468.920965 877.159796 1088.934099 886.388881 808.4494252 781.8048125 777.7261707 1066.187676 591.0534347 846.9985278 556.3579661 1172.812167 1134.602985 1175.875797 731.371567 841.50514 690.8629086 882.9633536 3200.462343 853.6587215 893.5983275 1053.877617 610.2183778 583.541361 887.0947671 671.9877868 1253.186482 1194.798542 1347.737442 943.6054788 772.8148945 1067.195692 467.4779985 638.584376 865.609583 2560.095211 937.1445889 9-cis-Retinoic acid 1241.660565 2624.68626 2825.03113 5798.76141 2448.907191 6474.170053 6005.621163 1120.679611 5954.759208 21726.72163 14054.31644 5883.292878 21667.8665 5194.177543 8724.293033 11075.01559 6450.240753 7100.412243 9881.940484 11524.27917 8450.170723 8401.179838 5682.16587 11589.61097 6366.382048 23224.33103 6870.595476 11960.87923 13461.57389 8983.350998 18652.83531 13382.24646 9961.798762 12809.78028 11932.74954 7686.525733 7305.501003 7895.618025 8098.946409 4781.207778 8682.405564 3496.498284 9856.264166 17971.99901 9728.067482 6945.582238 9555.727987 8076.698773 2694.647682 3444.731476 11628.30288 7630.856259 33143.95076 6562.600865 (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid 34684.12185 35839.70751 37798.75117 40868.61257 33302.78587 32749.20577 28110.41178 35980.00523 37199.53642 29168.41102 21545.16487 20216.9141 25947.09482 20684.90379 17595.79764 30330.05413 21534.25044 25020.36374 30442.04592 38022.69537 26405.13443 23116.24783 22601.66659 36655.03962 27402.39377 31730.12685 30018.26959 17625.86245 22737.70932 23990.11382 21087.23874 19649.20254 23231.81355 19050.0939 25711.76711 24721.53713 24084.0493 28618.0661 24024.19585 24010.85143 25073.61146 24835.6288 40898.40656 31819.37483 29832.18019 32486.15818 29284.25886 29012.36379 26273.63068 24256.31976 17368.19827 30876.30736 32439.21108 34170.86411 13S-HODE 111998.717 107180.1671 102240.447 98946.31995 94734.59093 77735.70303 75808.01129 107255.8937 106364.6131 76190.31792 69579.56557 62822.61031 67653.2364 63310.29176 50303.76216 98564.50634 71073.41739 81517.27439 67952.15171 69196.00114 62791.57776 61717.90333 55590.3002 57429.58722 85905.96095 97937.43983 81866.4216 60004.16078 71047.51762 75507.16321 68395.14203 62405.59754 79429.28895 64722.61032 83892.4587 82861.94498 77480.4638 63670.06825 65127.98361 56466.31057 70077.9702 74521.90705 76928.68963 89827.4335 80476.82598 68935.75913 68788.39008 64296.66295 87907.26867 83700.88154 65512.8863 79937.30283 86889.56685 93289.3391 Menthyl isovalerate 17307.41797 17919.28644 17887.11897 17690.80433 17364.21505 16065.08374 14413.23152 18625.01427 17302.31862 10706.06386 9645.909307 9969.117959 11281.24437 10157.16562 8029.498754 13836.9489 10123.23876 11278.52394 13861.15762 15473.6183 13395.43158 11509.13516 12967.41039 15816.01733 14497.35301 16961.52708 16551.30625 9284.436917 11217.77494 12261.4563 11644.52447 10284.99031 12797.85353 10970.0187 13275.33413 12422.32728 13475.90078 12339.71602 12535.77755 12718.70548 13236.80574 13704.3838 17293.01165 17809.48113 13943.84589 17222.31326 15888.83754 13145.508 14462.32056 13730.87873 9789.740017 15512.08294 13545.23669 19361.39684 MG(0:0/16:1(9Z)/0:0) 129.6830812 4.07813e-08 425.3463259 1190.893365 981.0202066 685.5820252 587.2492622 176.5709107 418.2168432 2487.578918 1642.887372 3099.597482 607.8018872 1719.407153 2377.994147 9341.978298 9013.321588 312.7356585 595.4983283 755.2821743 987.3709203 1102.944174 2020.072993 1506.666908 397.1422538 4379.915409 3536.168944 3262.579682 592.540339 2750.572842 2722.048538 158.4465066 3327.855946 1798.588927 59101.86145 6022.374041 290.5492957 498.4408107 782.2493655 638.8247053 329.1450713 532.8141453 1143.033332 2622.188699 892.7959524 623.5052928 893.5123802 545.5962079 159.3497768 4.07813e-08 4.07813e-08 608.5406327 2974.691486 955.3561175 (+/-)-17-HDoHE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33859.88321 21029.91765 5941.436563 24951.71164 6017.57583 9485.45757 8967.815423 9440.365205 14308.91169 2633.20887 3087.310094 622.2504954 82.9722606 80.14316558 3226.402271 155.280046 5646.262031 4.07813e-08 8264.061459 14848.03895 8613.167988 22338.45442 12180.54144 6733.437362 8697.310291 10608.22458 8417.018146 4.07813e-08 187.2423171 86.49971723 4.07813e-08 111.0174429 4.07813e-08 258.8998784 3340.529209 4.07813e-08 1056.847854 5194.000096 1060.816003 4.07813e-08 4.07813e-08 9718.859737 4.07813e-08 40256.72486 143.4306555 MG(18:2(9Z,12Z)/0:0/0:0) 25477.4361 25549.80291 26632.09035 26848.232 29382.25137 21388.44768 21891.98811 22647.17601 23456.4555 17621.82162 16870.0367 15836.69519 16352.81693 16629.81053 14343.01699 20237.51328 14676.67721 18363.1311 16996.90652 17908.51531 16819.73524 17360.27482 17254.80615 18100.23371 19639.62975 21607.95797 19356.54587 16099.41441 18586.01256 20817.04494 18976.79116 18038.58805 17345.14453 14202.69587 20291.15456 18664.0172 21193.33326 18332.19291 17421.70371 17527.62429 16205.02472 17891.06457 17739.65767 22189.0223 21068.56135 20726.17571 20274.34225 18353.3474 20114.72952 19588.48923 14637.78039 21275.57576 19421.84121 22534.47476 3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol 9182.814212 12093.26673 12395.22486 11332.69464 11030.09494 11027.95139 9585.981872 10172.10778 9477.854437 8245.522658 8413.725278 6798.751889 7941.142593 10107.80469 7048.265255 11847.21769 6785.958858 7134.223188 6325.060589 8127.869256 6896.279167 7255.084873 7642.488123 5635.849356 6415.158321 8670.047544 7175.303092 7397.587718 6974.169179 8392.355001 9969.66162 7660.444439 6246.519207 7474.929516 11825.53212 9927.713944 7830.41313 6573.717225 7423.155294 7601.540768 5810.155216 6517.020497 7129.435448 7476.020149 8025.636513 10044.16013 8199.330953 8908.751721 7540.982078 8747.511138 5701.365876 8631.473038 10227.36777 8711.074691 Camptothecin 89389.93218 84453.37942 79657.29675 85854.75971 79969.49684 67990.65508 70732.45504 70154.05423 73306.06881 56442.60937 48678.92028 48376.15042 54876.68027 60901.96683 46537.08372 61190.77325 73090.29649 99279.89547 52310.7441 55870.8405 53582.1691 58715.99017 54295.17184 52432.2194 63177.05522 67776.31348 96395.58893 63038.8615 57097.73847 62890.18613 67907.65902 57511.44476 58216.61712 45640.77937 80515.71748 67327.91459 62554.74167 51640.17799 56621.80085 52885.85241 50630.18058 55500.55048 62421.71633 70611.8389 66426.00634 65552.40614 58956.76399 63162.82095 57671.22541 64050.69827 52268.56562 64046.84102 56873.89239 76655.48682 Hexacosanoyl carnitine 181875.4775 184406.0567 166960.9744 177375.5932 177317.0625 152957.1321 160989.8209 153066.4247 163762.5361 118933.5089 101755.6766 110021.9033 106074.337 114609.7118 98324.85299 134098.7903 108718.2304 127383.8951 120636.7238 118368.4207 109240.2426 119143.5757 112288.8542 114879.3304 136150.4758 143407.9358 137880.342 103517.3001 122328.2422 130110.7954 129563.2366 115610.6401 114128.9014 96428.8308 115129.5861 127938.4794 135527.2258 125907.5788 127081.9771 118074.0591 98625.47318 122505.4114 125698.8451 149491.1255 137161.0709 151482.6535 135724.0559 131610.9651 114487.191 136006.7815 97563.48792 131339.1471 129975.5948 160885.3188 Dextrorphan sulfate 83622.40919 83606.32698 80983.56614 85667.91731 85636.78191 64663.16989 78906.12277 74108.20981 73609.99017 57127.74479 50326.13913 57172.46159 51263.78424 64263.43878 47521.38243 71550.21445 48031.23122 60381.31884 60595.48025 55062.65156 55746.32982 55730.16252 57442.84398 55582.76408 54937.37796 64693.99384 63147.55833 47573.22782 52369.24648 65587.40372 60537.49726 56347.46295 52934.36002 45917.1178 69293.23407 64875.54633 68361.3265 64045.02265 56917.80022 62161.67267 50557.48743 55739.23865 48816.6647 61398.71392 60760.23333 68942.13526 57730.81305 58620.84359 56786.91876 55507.59197 40811.26366 60567.6914 67787.94977 73766.70912 Gluten exorphin C 47018.48802 70791.15217 61407.5921 75643.96721 86650.4612 58658.44455 57522.99027 34579.59559 40896.86777 33647.24354 33252.08151 39927.1399 48681.85042 40408.36287 40231.95646 29657.94821 26998.38726 32829.96485 42626.58877 46871.38653 44208.94067 46615.01102 50983.79301 46543.11847 49181.40704 33708.0658 41771.72699 44387.45546 48556.30576 59485.83084 50471.75809 58269.97126 26795.43077 24520.82464 41382.79932 37965.11897 51879.84295 52096.83875 45981.89158 45105.07825 39093.76223 36583.03734 35025.26807 48138.72795 51709.80065 61830.49035 57720.93367 57872.50234 32349.64054 43007.39127 24893.45327 45273.27866 36756.37808 54631.76248 S-[(E)-Prop-1-enyl]-L-cysteine S-oxide 1804.242755 2878.982373 1679.21919 1861.086819 1994.179418 1496.711307 1532.775795 3009.217597 2101.603029 149.5639762 195.6032163 182.4992314 294.3976608 172.2976507 184.0192552 67.1171888 157.7430557 271.6197875 4381.808194 6655.911691 4499.215554 5446.06096 7007.225069 5710.544535 3888.86358 8573.330622 6418.916192 54.12852619 204.754639 156.820633 176.9383761 124.6161751 200.8848495 116.99488 89.16243871 194.041022 2707.187824 4726.788025 4992.758143 5117.112876 6552.702147 5706.632161 5634.623863 9850.073848 5040.961194 4104.845147 2188.50964 3126.636404 2481.509098 2757.446563 125.9012353 3510.879066 102.7797725 3507.80021 Trimethoprim 0.119910719 2046.91383 4.07813e-08 108.916303 248.5053307 0.098670368 4.18533406 147.4548026 4.07813e-08 3705.542976 2982.808953 3123.576673 4147.741381 1977.491977 1935.022149 1442.071953 273.0013679 1748.442616 4.07813e-08 3.131872993 4.07813e-08 0.281383366 0.355106723 19.41482363 3.731850198 2.978533907 8.501012043 3200.988379 3049.579077 1745.415838 2809.438934 3772.335184 3288.138225 4774.485108 918.6809756 1992.958359 0.050408717 0.067700681 4.07813e-08 4.07813e-08 0.001255052 1.320751686 11.02773024 4.07813e-08 38.5933858 2.72719308 1.816057067 0.513142037 4.07813e-08 4.07813e-08 4112.078095 0.029999443 3132.949454 4.400782883 2,4-bis(3-methylbut-2-en-1-yl)benzene-1,3,5-triol 1817.43603 653.5664927 1109.757895 383.2484273 970.5510709 1932.377954 1461.551904 2947.662006 1822.358673 0.430301686 3.159272049 1.020176833 0.73323319 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2699.253734 2448.459241 759.3662357 2281.746873 2975.039177 3257.896669 1726.429399 3249.21536 3021.351153 0.135492477 1.369552669 4.343484048 4.07813e-08 14.45247754 4.07813e-08 126.4558935 4.07813e-08 0.656693851 1404.900055 1451.111916 783.1340713 2241.091475 2258.580025 2584.432929 2732.739834 2962.13635 4411.888856 1944.051509 1349.453395 1626.982825 1169.154562 817.6736934 13.14663487 1366.471245 145.5966674 1756.444495 N-Succinyl-L-diaminopimelic acid 2011.093274 1785.928783 1142.755253 1874.739056 4204.191958 477.2806077 759.4942857 1345.491336 99.66095501 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2435.362755 2859.573882 3031.062037 2542.565505 1160.945611 2575.304642 2122.766746 3037.03871 1707.125812 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 132.8562489 4.07813e-08 548.7767037 4.07813e-08 4.07813e-08 1077.401611 2434.07183 1994.503529 1562.303967 2099.666841 2630.985405 2370.046161 2939.015084 1721.8051 2620.666263 1361.274793 620.652032 1744.763911 1967.593579 4.07813e-08 1937.207901 4.07813e-08 287.9568356 2,3-Dihydrobenzofuran 204.262163 135.3949056 794.3810736 73.80724763 21.17637865 30.85194674 785.2307786 1246.580312 117.4516489 44.10254872 4.07813e-08 11.97083702 25.02889882 30.4110145 20.47425404 16.81257309 22.10640023 76.09550405 215.1829507 68.45789625 2355.632889 235.3468626 452.4553895 639.8029819 124.6130971 36.21393694 58.06867943 103.0964731 34.76574394 52.67034931 124.1654749 35.03201366 180.1416759 12.79026713 49.4498834 4.07813e-08 352.6792042 403.7158976 491.8744833 407.2776162 350.3038463 170.0572149 925.8616747 19.65882168 185.4514209 641.8516494 278.878573 710.2212898 107.9638598 407.5555998 15.3491255 211.4008382 42.13960501 157.6961226 N(alpha)-t-Butoxycarbonyl-L-leucine 3574.326295 5838.232974 2682.34262 4432.576957 4225.174044 3583.400314 3127.228226 3506.260431 3832.14553 6390.261724 6424.299832 11926.86338 4722.325308 4053.377472 3118.882491 5263.016481 3195.03249 4952.607084 2926.196752 3653.766794 2358.215215 2467.709041 3368.948372 4736.58052 3465.641284 3531.50669 3867.953317 11475.97487 6936.794159 5290.00398 13573.95173 7042.0429 6078.723915 4947.458441 4968.248926 7810.620172 5152.490819 3148.424394 2262.932712 2829.017085 2694.47145 3163.723681 3823.215679 3637.23584 3503.327828 4480.756405 4271.668131 3750.978832 3657.385123 9606.778091 6437.457455 3249.486805 23241.59695 5102.350608 Methylone 2447.04292 3422.05572 2896.268413 2927.843001 4234.020429 3592.585947 4056.105344 2484.83124 2382.317092 3018.166447 2006.938046 2081.179125 2585.757724 2493.448658 5777.649896 3547.597946 623.9324704 2716.750159 3876.123512 3999.500743 3808.501678 3528.699004 4299.624945 4157.396317 3694.401877 4144.133804 4538.03103 652.6159238 3018.283006 3349.57133 4522.378485 2971.452375 2555.717942 5797.758022 1506.605467 5587.078924 4010.234932 4428.198964 3867.602885 4460.778319 3563.701879 4008.821586 4229.154423 5308.424859 4480.753693 5127.910678 3794.067229 3593.938118 4179.199682 2735.965309 2576.202336 3000.457069 2557.293285 4458.69858 Linalyl hexanoate 36041.24262 34669.08175 32318.33563 32108.99896 30371.74014 25907.88185 25868.65979 34660.40632 35550.11628 21313.40097 20830.12725 19588.37706 20429.85472 20301.64635 16087.95739 28409.0619 22066.34054 24674.27876 21989.23754 22841.47623 19720.75542 20484.11995 18190.15139 19622.3119 27023.09102 27829.84978 25567.39485 18223.20956 23122.91897 21717.55112 22297.70902 18910.06591 23616.59069 20714.62585 25330.61751 24961.24452 25483.10676 20456.76617 21650.12967 18673.2688 22521.74268 23464.55527 24399.64516 27153.37929 24812.92715 23867.14302 23490.9243 21564.73014 28918.27851 26965.05028 19741.72308 27179.50065 25907.20266 29892.20057 Benorilate 10210.94931 17890.52284 3389.349824 8878.862566 2847.699175 4590.831258 10238.07371 12426.32111 18463.39342 3849.807825 4747.340939 6204.666889 4215.873339 2056.804925 5717.341589 3778.339701 5367.278901 5174.412373 642.2434357 1295.847449 4067.350847 455.6968746 900.885146 607.7295935 944.3199912 1862.785219 1279.582743 3896.242829 4466.271107 2544.101114 4277.278892 6094.661736 6825.820598 4652.307855 4619.051355 3353.836859 1896.774306 2488.189553 2858.129005 2591.26923 490.1019251 434.7272999 256.1085436 1092.731012 1029.74087 964.7135854 2986.400065 1839.44083 4693.545365 11265.93777 3585.462188 1993.831326 3607.250605 1524.376332 Pogostol 40309.87667 40728.03328 36198.1541 37014.37675 34821.63801 30492.87721 30657.12846 34109.29822 38342.31352 26596.58568 23760.62872 25241.70226 25081.48879 25363.9593 22432.32332 31565.20146 27573.74247 38967.52858 25592.09925 25115.65751 23107.0635 23393.04668 20857.68754 22277.32949 25724.71343 29756.76727 27195.56481 32245.92595 28625.00893 31324.63364 33222.85797 26506.99535 30632.64186 27151.74464 32415.23387 30388.53375 32006.70446 23958.3049 23999.72075 21457.8864 20007.09946 23428.74854 25130.24469 30057.49491 27112.74739 27520.70813 27347.52978 25893.81766 27188.11059 26681.72115 23140.86372 29523.53594 36384.21223 31657.11897 Indolepyruvate 3952.971813 3945.398088 1802.324739 2310.843616 245.9119772 1263.769751 2123.18732 2611.948542 5249.005381 4409.250292 3704.500801 5463.320483 5362.013472 3956.69749 6195.399432 5660.566814 6188.284858 15732.60525 1214.665735 823.6602876 675.5039379 870.2112677 210.1030779 794.8424641 943.3118984 1098.890842 385.5948532 15690.73313 7142.666887 9111.983775 11502.50052 7372.396325 9097.618132 7438.791116 7518.218673 5653.800535 5072.009307 1190.827118 541.3798465 983.4127828 686.1845938 549.4357734 720.7672713 1938.305929 557.5150684 669.0774392 2355.635585 2252.955555 2196.361657 3056.405354 4053.041081 2346.928993 9453.553329 712.5602817 DMABA-d4 NHS ester 7306.234636 4097.220259 8856.942856 6184.148404 11682.25249 8416.269816 5560.54696 7177.995439 5690.407576 4.07813e-08 69.01534219 4.07813e-08 72.99268435 4.07813e-08 19.52327061 4.07813e-08 27.16194126 4.07813e-08 11878.66629 11869.43814 8663.161289 10127.71448 10967.84055 10586.00016 8778.55341 12228.73238 11340.62003 4.07813e-08 4.07813e-08 17.65964029 19.52586344 0.035505386 0.014742595 51.07492231 4.07813e-08 4.07813e-08 5877.887154 9518.011195 8156.970265 11323.69683 10873.91224 11130.57814 11364.51919 11423.62515 14424.73803 9374.124979 6662.113339 8055.19487 6164.267651 5027.415426 21.30314086 8641.114871 2.086523985 9261.105246 3-(3-amino-4,5-dihydroxyphenyl)-2-cyano-N,N-diethylprop-2-enamide 4081.350097 1859.766383 4701.04753 5771.598151 2786.041434 3536.534511 1494.334576 3115.576368 2910.953568 25.80932614 4.07813e-08 3.508475459 202.0795794 3.954560409 0.0107445 4.07813e-08 11.71896633 3.072660652 1830.697045 3251.045922 5143.352213 6108.908454 955.0580555 340.4011029 2402.497627 10978.73604 4509.315189 43.13480598 8.137939814 4.07813e-08 4.07813e-08 4.07813e-08 90.8594956 1.82383682 10.02187386 0.028358747 5764.794036 8092.505711 5228.997413 4999.295798 3142.868309 2412.628856 808.0732233 8111.645154 26104.67475 51.38605709 609.2293699 2069.577221 3710.793043 5545.711213 87.28377066 2136.941713 643.1008188 206.7955898 Thiabendazole 459738.9233 403574.4788 410571.4716 394264.8071 411270.4196 335411.9398 370298.8018 369521.3102 410737.1275 280377.5434 251408.4935 290286.5075 308405.3752 320596.7019 248074.3448 372555.2131 236564.9044 251511.0215 222327.7774 264920.9463 240621.5498 304888.6578 271181.6611 284052.714 284676.3918 335946.9961 300457.8003 273287.5503 283022.6279 341556.0698 337152.1919 259488.2515 294274.3723 220371.6373 291994.538 311825.5518 360344.2513 271978.9594 265850.6655 276082.8919 241260.2094 278638.9451 281849.6758 350556.5436 304376.678 353715.9454 340446.257 301643.6001 321543.1209 318552.3584 239839.1774 277952.2082 317590.9474 379302.7091 CBHA 491.3311515 300.6504279 175.1294983 507.4911641 435.4663004 429.7290961 251.9698007 148.0601898 198.2626678 4.07813e-08 4.07813e-08 46.22276758 4.07813e-08 4.07813e-08 42.42179362 4.07813e-08 4.07813e-08 4.07813e-08 549.5052505 608.6716724 422.5126379 601.8857662 867.8743111 994.6664596 534.7474621 983.0397562 661.1909886 92.69093252 4.07813e-08 4.07813e-08 4.07813e-08 154.5752411 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 297.5755303 575.9091743 635.2195034 639.7924949 618.0124782 585.0127901 808.2953447 686.295901 939.6873754 636.3675073 511.603795 275.4145693 343.8309221 306.0727834 63.25323551 525.828367 46.36001425 643.8720898 Dimethamine 588.0138003 5461.995142 733.3612656 1113.946813 885.202494 397.8772893 3062.5108 5454.445327 10787.28673 5601.567261 4176.527339 9208.414869 8893.305625 10254.59678 19280.63294 2877.758229 9297.0775 15888.0303 71.85637336 636.1586901 205.2173266 4.07813e-08 307.8350394 292.5426406 125.6736831 193.5757088 392.3818081 6466.189714 7797.956701 18519.29056 6592.389641 10608.70128 3874.43683 5283.1704 5477.509503 13406.37405 795.725616 175.2153228 367.6895159 4.07813e-08 4.07813e-08 141.4170186 552.1801872 1027.574475 4.07813e-08 4.07813e-08 2103.127184 1702.585987 1926.938584 9131.998043 5803.880978 2121.463199 3420.390232 723.1411433 3-Dimethylallyl-4-hydroxymandelic acid 3649.260446 1792.455688 6313.295212 6757.213556 8097.24041 5614.742489 4985.019078 2673.867037 2597.722533 4.07813e-08 4.07813e-08 487.9000567 187.4170751 4.07813e-08 6.759511786 4.07813e-08 4.07813e-08 107.3139653 4369.887975 6162.860527 2395.651013 6387.782084 6525.603132 6268.638324 5321.025573 5105.427127 6941.319074 1.02665025 4.07813e-08 4.07813e-08 215.0383522 73.04897198 4.07813e-08 4.07813e-08 0.592732068 4.07813e-08 4700.432227 5841.293582 2872.404907 4982.839652 5273.109112 6447.578953 6184.856091 5605.425062 8232.119782 3956.001166 4102.303726 3820.524222 2678.919488 2453.738954 4.07813e-08 3323.4205 161.9896003 4693.285371 4-(3-hydroxybutyl)-2-methoxyphenol 1662.077151 1184.412712 1774.561224 2336.368569 1757.049941 2529.43603 2350.793457 1194.423567 1193.995635 460.2236199 562.9304849 336.1823176 314.5340903 293.9551053 62.22459082 394.975338 240.4218785 377.499386 2007.666167 1836.74712 2387.34198 1877.58592 2966.510557 2475.838081 2040.133037 2697.339664 2424.544341 393.5992633 579.1959387 384.8609616 478.9339861 408.0760347 395.4301481 304.8891193 387.6792739 374.1720489 1674.938234 2126.737855 2360.566705 2277.720735 2017.251237 2201.848873 2494.954553 2208.259627 2608.311613 1692.137987 1255.568203 1611.735138 1473.076822 975.2441579 363.8929155 1456.262818 554.2309207 1333.212346 Benazepril 8441.026149 68876.0075 3029.665488 10067.34303 243.4127058 14046.12808 8538.595367 10382.08273 23529.19785 34261.29497 44620.68976 19363.1377 95575.12745 58290.5435 4055.026466 1140.137701 3724.34419 3482.147018 4061.94736 3361.960583 3190.396193 2622.317367 1055.830429 1213.433861 2910.289429 2210.824688 2030.865271 78051.97021 5304.003412 2175.059584 3836.225806 5336.517715 23434.08135 3968.987187 3484.313321 4252.953004 3917.385675 2513.13985 3645.31193 1354.64297 3359.970552 1466.725046 611.662706 2906.06278 431.4260489 2407.062794 163729.6718 28825.08863 100422.8022 67124.81742 11821.238 21271.07809 458538.7524 81139.88825 2-Methylcumarone 36.74136381 4.07813e-08 114.3607887 85.71191289 520.7537127 303.3618931 281.5187185 562.3531101 39.65786984 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 255.5546578 207.2380577 245.8721532 206.0751843 179.0920423 110.4636845 185.8284464 646.4434366 216.9332182 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 369.6464204 179.1345411 457.603225 313.9509541 231.8369228 317.6650751 174.0765413 678.5091707 4.07813e-08 668.8633174 72.60064778 222.2910166 140.7659213 251.070074 4.07813e-08 447.8994053 4.07813e-08 737.4181662 Indicine 6444.419344 5272.21368 5941.624122 4196.890254 6538.583138 6453.134026 5157.672229 3861.623265 4350.491434 3234.254116 4047.721185 2132.926357 3491.674266 1059.387642 7588.910397 2073.289447 2890.761335 1032.026557 6926.411625 4035.997309 6734.533066 4458.572969 4930.947634 3492.335919 4716.620433 7852.922137 6510.685135 1948.507826 1028.487182 2095.872055 1738.142307 2251.719511 2706.63638 1712.970371 2678.18364 1900.314947 5091.744594 3655.33358 5032.731775 4735.728878 4642.494319 5385.520343 3319.756894 8868.849134 4591.431343 2527.278375 2719.357852 4106.521087 5325.919846 3932.736074 2106.264374 5292.128887 1712.43893 2218.366252 Hydroxyphenylacetylglycine 2695.914488 2148.875565 2747.498365 2084.695574 2880.74823 3286.490809 2767.06161 3708.228816 2591.688987 54.14385201 4.07813e-08 101.6389817 66.18650656 56.29792499 68.31138461 4.07813e-08 4.07813e-08 117.0652196 4784.473124 5636.609053 4828.68182 4838.159319 4935.089537 6603.835189 4822.822173 6830.175206 7378.711862 4.07813e-08 172.0248306 456.0676243 122.7403879 354.2755321 66.61690249 4.07813e-08 125.4817659 55.41902281 2008.595454 3822.273406 3606.086004 4726.827702 5457.059812 4970.989776 5682.218668 6419.71246 6636.243385 4618.622558 3498.869871 4290.865977 2760.69494 2690.805628 133.3801444 3583.322165 4.07813e-08 4589.849989 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate 16167.49959 22943.72968 17239.97874 35511.01288 16740.26019 18710.9488 18391.08214 24152.45454 8611.809227 1023.545354 551.3832366 536.5565423 1675.680101 409.8870337 884.2553879 792.6493408 591.8160415 672.5096858 5776.623732 323.6904573 10776.45596 3680.746798 1524.154751 2094.916984 3590.79106 615.9577202 4839.12483 1195.831397 1106.307283 1301.54406 465.43899 1129.141034 452.4111573 1293.757183 441.7600467 665.1681535 13620.75125 14820.85468 23239.16754 18030.95939 11933.39281 6409.396163 8037.500255 4672.574459 7029.849402 8536.843385 4794.108322 8447.347244 33293.28939 63948.38447 793.9438279 11180.67962 834.83966 8317.312965 4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate 22772.93167 16073.22027 16229.74742 18831.82359 15403.37299 11025.4284 13576.1071 16244.30955 12113.37863 1636.701957 1648.766727 1200.73107 1495.620497 1352.63861 1392.523002 586.7753947 1069.533683 1323.785883 20468.29828 17755.53023 21577.43131 25980.62311 18189.82284 9236.747444 21737.79346 27488.10029 13297.36175 1227.214146 1899.085781 2064.630725 2026.589483 3240.439147 1993.711834 1699.197338 1197.511021 1256.99341 27046.90923 15944.90655 18248.47758 12347.47335 25214.82891 23997.3088 10725.787 20594.79488 33389.67319 7672.607356 8576.790556 12792.96225 19279.70702 14471.25567 2487.899813 11483.29874 1352.020848 11235.90807 N-Acetyl-leu-leu-tyr 19697.08482 51811.03247 11719.0821 23474.95449 4477.716567 10848.39105 22327.9433 33819.98989 43224.77373 113401.725 105602.5472 193262.018 121845.6056 139116.8763 105229.2164 37082.25792 43855.62369 93549.15522 2945.979138 1568.822305 2993.013426 1422.80567 1839.710763 228.9514424 1670.60969 10870.81762 2927.094564 128039.2584 68922.29004 96197.58362 47863.17379 142667.5926 116075.9928 80346.85466 34812.95387 69554.24051 23068.43044 2555.252509 9076.844598 2664.61038 991.1014848 1341.112868 436.0636619 10883.84145 218.0775797 766.4362119 8306.034905 8235.708773 22570.61892 44152.69555 119494.9464 13463.98175 221899.8963 8595.333934 PS(12:0/0:0) 12772.55996 13385.47614 7928.26067 9328.195104 8359.64727 10541.73076 11004.79362 24146.06305 36023.08925 1192.984774 3219.490894 714.9801505 1550.802326 6560.131678 2760.761408 3346.662146 4513.161464 5798.266771 6185.617695 5653.932447 4990.55921 2512.546024 2927.425369 4288.553539 5736.284791 3621.532162 3770.981549 1356.994497 2126.964554 4726.830494 1796.821056 6084.216934 2918.83665 1798.78126 2296.299338 5677.93974 3431.783957 5604.234485 5688.792137 5296.699383 4139.495876 4264.545646 3686.525336 2722.966094 3901.246109 5221.464245 10716.86595 9548.050239 17270.45546 13986.78345 4068.381168 7457.620319 2435.312221 4872.685823 Peganine 919.8274213 441.3775672 1161.673799 640.2547775 589.1092191 1593.025792 1126.08107 491.6364639 95.19258173 411.14193 441.427519 140.0373798 265.7011444 163.5251549 175.5176 169.4450722 273.8593636 64.0858911 2285.83836 1242.592202 2050.247363 1303.195807 1522.468631 1657.485505 967.9733543 2082.827826 1557.834766 855.015134 501.7041093 286.0178669 607.7384188 636.972911 566.6634212 1096.926215 401.877087 93.0077039 2447.723874 1258.369526 2243.055371 1472.889557 1388.019729 1380.096362 1582.697329 2023.458729 1648.966868 1126.908174 732.0254972 1803.29223 1020.953906 719.9142262 473.843049 1244.336 544.0312286 1072.517532 Coagulin R 3-glucoside 667.6540673 2380.88666 4.07813e-08 336.6918204 32.46484734 75.1606142 490.755746 487.919272 380.2916127 5616.546621 7541.393238 7283.244875 9336.832863 6675.968591 5849.251983 757.8781568 3518.250283 5333.627174 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 241.6404157 15510.06491 7540.190627 11691.06121 15224.79891 12308.76431 3734.031718 11544.99394 2249.754511 2626.68339 344.585005 4.07813e-08 1.203926184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3892.447454 346.2250489 2513.891756 6680.020405 10571.04876 941.0746072 27877.1952 2533.494219 3-Carbamoyl-2-phenylpropionic acid 377.3683688 207.3114152 344.0213526 87.7625183 4.07813e-08 336.5428308 304.1138235 239.3509018 86.65904064 438.1182155 134.9921187 67.82076461 347.7036744 268.601019 270.4793634 294.7407838 128.776124 102.1838327 286.4919302 201.7188638 196.541186 211.5151891 365.7966106 131.5898056 273.4977184 350.0205661 107.172532 185.2463081 221.5403277 213.4740453 370.5577158 525.8948202 381.2413071 313.9488847 4.07813e-08 118.7219803 517.551073 405.8453562 231.3115928 200.1929698 304.6722264 189.9496984 379.3385736 602.2927034 415.8433336 4.07813e-08 84.23215828 612.3436194 72.71754701 111.128704 180.6404449 397.3043373 366.760269 4.07813e-08 N3'-Acetylapramycin 4.07813e-08 1420.059654 4.07813e-08 888.8008352 4.07813e-08 69.20199454 4.07813e-08 4.07813e-08 2240.331707 25829.91919 22889.26788 12691.48176 27828.737 6808.810618 34101.76971 17012.52341 12338.81372 21776.88452 4.07813e-08 4.07813e-08 300.5097532 253.3925435 4.07813e-08 4.07813e-08 129.1222929 216.5314847 4.07813e-08 36840.08889 8047.932411 16653.12019 20533.14143 16226.90025 15260.78861 43752.21845 13429.61671 24917.25096 4.07813e-08 650.7302394 582.1340563 4.07813e-08 487.4582705 296.095318 4.07813e-08 475.25827 4.07813e-08 341.4719152 70.73975175 908.482054 313.6167505 3545.522166 20012.35882 162.2399577 19404.5348 4.07813e-08 Viloxazine 12927.36512 8332.180292 11725.47071 8821.716472 10065.88301 11445.96466 11100.14985 9234.037066 7179.019024 1421.978951 1484.310678 982.0206304 848.5384352 527.2697073 1049.416179 773.9975183 317.7550124 861.7378527 25352.60475 21633.42481 19529.3306 19760.60721 21721.5664 26666.73612 23262.00753 32404.16006 23391.3318 2465.647021 2565.415309 1842.269958 2878.368991 3409.253104 1694.077439 3990.197934 898.6895125 1071.717813 14496.14741 18992.60008 17541.8308 20466.39034 22386.75262 21894.13755 26335.03303 31240.14052 40220.00737 19005.89425 13571.79488 15282.28169 13405.71095 11747.35929 3026.584758 13476.64393 2081.763365 16304.40388 Methyl geranate 1099.935426 778.6401374 1303.479415 1009.127188 1083.328146 725.0010933 1216.811168 564.5692811 1019.265078 326.9888836 169.0133699 198.2777439 336.1202427 433.5535574 221.261703 528.4320996 434.9981549 536.4055962 956.7711327 971.5965714 933.6091006 990.0634899 1094.719814 795.123741 1039.854505 919.6308201 1012.973064 106.0993031 428.1137662 319.1034838 407.1221939 205.4879354 437.5605776 103.5568281 319.6899337 434.082897 970.8972124 827.5128738 966.8229175 939.5159596 936.6874544 883.5971304 862.7428931 949.6075516 1450.141606 876.2937493 947.0731688 830.3050739 789.3587873 381.5749565 273.5424314 730.3720376 587.2408152 1110.018663 Bufotenine O-glucoside 3944.39898 5035.008885 3775.548122 5524.415144 7953.856696 5774.691614 5957.208034 4890.836303 5478.521375 9724.76599 12618.12776 11183.66382 11215.35385 10345.24983 20276.35721 19764.20383 12271.86 8158.196915 12061.96343 15317.01121 10519.86102 8692.353729 11955.47192 10761.04527 10786.52397 13170.48225 11875.87401 13782.60301 15795.39007 9868.501752 22773.68959 8192.305229 11747.86599 18272.2144 12996.28918 15598.05997 7124.809002 9157.7621 8733.214034 9831.598096 10858.34668 11560.59741 9001.899413 13580.15437 16223.84824 9070.412669 7991.648128 9392.354089 6833.512616 5201.552566 9725.587198 8222.55135 10522.13412 10366.80857 3-Methyl-1,2-cyclopentanedione 2729.261829 2075.038116 3325.087575 3479.455871 4407.689213 2458.848151 4309.250912 2841.918357 1847.724764 4.07813e-08 71.36653312 134.3574698 167.63306 4.07813e-08 68.36435873 75.33817012 74.06997178 228.6966685 4281.671171 7028.837045 2087.496219 3958.331873 9199.530397 10059.85488 6634.137183 4419.611068 7774.613043 4.07813e-08 4.07813e-08 348.6368035 4.07813e-08 84.97414094 4.07813e-08 4.07813e-08 58.99314562 95.01904852 3853.985178 5080.970109 2508.119966 3600.710343 5175.003757 6914.332747 8289.690076 4712.536872 7333.812751 7312.356781 4937.897258 4168.250865 2288.961543 1324.139477 241.9425749 3957.089275 4.07813e-08 6765.399145 Avenanthramide-C methyl ester 1664.753725 2581.267494 1494.081174 2091.462613 2384.525135 1554.974347 1765.158224 1114.19725 1823.228221 4424.985344 3047.707735 2045.04579 3817.602025 1451.535166 2464.208634 1254.674725 1491.250292 3878.531454 1562.740362 1637.440332 1176.631663 1774.053206 1795.375724 1152.49882 1886.259395 1805.068493 1349.298484 1756.438788 3044.465723 2676.221764 1902.762087 3458.84401 2601.834645 2926.242578 1222.670729 2663.062169 1833.184444 1070.179189 1637.003834 1720.128195 1694.502819 2475.638337 1462.579523 963.8421094 1984.397655 1276.227431 1387.627583 1584.353599 2363.895958 2951.060869 3649.270103 1856.268367 2890.704311 1825.278418 Myosmine 396.7768452 608.3430541 588.0240651 590.8230597 1187.899573 656.3663488 4.07813e-08 829.8812206 726.8790757 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.74830415 4.07813e-08 1346.100111 996.106164 658.3413612 765.4255346 821.4532412 1041.169312 474.9541421 452.0342501 843.7778609 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20.68254156 714.3585462 593.527044 405.9203447 1090.363804 677.4221169 653.642873 917.3761117 505.4213174 583.8129391 475.584537 915.9266135 658.0851095 473.2219319 722.2532345 4.07813e-08 1130.694194 4.07813e-08 524.91282 N-depyridomethyl-Indinavir 9398.887312 22553.1493 4866.90806 6369.248818 2664.868214 8572.710972 9753.488446 26106.56752 33666.03692 25731.73888 32081.25784 36245.57046 27037.34683 34642.34342 14600.02549 21009.46647 24040.43547 14352.59534 771.5046871 582.5918005 3117.196983 211.4459707 477.7623242 1997.286732 42.35604211 4.07813e-08 1053.10047 20876.9162 23691.98846 42995.31397 20231.27995 30013.50275 29219.76633 18616.36169 20034.63954 30385.39129 6063.714289 2174.214943 2746.395009 1449.857373 125.6971652 49.44389277 1043.223313 279.0763021 314.0807698 1111.713524 9802.573592 4035.061927 9250.599093 25306.99434 27503.81025 5246.797383 40864.16806 1457.402042 Latanoprost Lactone Diol 461.1120092 529.8220698 1578.182227 1945.377455 2535.086533 1090.430107 1589.810951 4.07813e-08 249.0165692 4.07813e-08 326.1360036 4.07813e-08 4.07813e-08 202.5726105 4.07813e-08 229.5071419 4.07813e-08 58.37875989 423.9550096 2460.394402 176.5384864 925.6794473 3366.055594 5207.796294 2939.930112 511.9068345 3908.034148 4.07813e-08 36.68095028 162.0056356 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 563.9254976 1552.275714 443.36738 341.723032 1575.367942 2296.469101 4953.001264 878.4398686 1195.41167 6501.113521 3911.224023 714.0945019 4.07813e-08 4.07813e-08 4.07813e-08 193.3506754 1243.689136 6597.007028 DESACETYL (7)KHIVORINIC ACID, METHYL ESTER 11581.44721 8887.779153 6455.938359 5802.222836 5798.712808 5669.320642 6598.118393 6639.337907 7953.989012 12117.16452 13674.01711 10072.42327 11302.19416 5474.825787 6687.148412 4605.760502 4649.948556 3074.895907 4189.474779 6016.032448 3043.218979 4424.798659 2059.728987 3792.830808 4333.801482 5987.651597 5572.406947 3823.964486 8666.785985 5567.259806 7625.976754 8318.887207 4517.368674 9307.696746 4847.665563 4698.452878 6481.071572 4710.152662 3828.727578 3011.715047 4015.594828 4628.949811 3564.901715 6299.466029 6022.389578 2609.63545 9630.045549 3814.419059 5011.97893 4968.383555 7547.117623 7597.028492 7554.757423 4842.096597 10,11-Dihydro-12R-hydroxy-leukotriene E4 7615.731516 44044.39995 4244.521553 11828.95199 1339.941613 3823.367358 8273.957276 12216.93873 34463.37964 140385.9711 227714.196 157686.194 377653.3538 264926.1009 15462.98241 2918.215445 8074.620037 4471.879314 1190.158677 2372.945548 1608.575499 1075.138766 1591.768899 590.4141745 463.6201268 2035.847929 1929.495681 149014.2581 6205.638366 6655.804666 8303.850252 5891.795382 97094.68191 4238.516903 2471.2687 8730.920933 5706.101392 1516.790356 3018.585576 2605.37716 1105.761355 1130.860815 1146.148867 754.0596875 1543.126698 935.8898646 42973.51749 13003.58776 41878.58685 209999.56 58709.45377 13362.92469 1153646.82 64498.26084 Fluperlapine 717.8308027 21.8939974 220.4579668 124.4820687 145.4186082 371.7857477 182.2786037 345.3377033 69.97739346 3670.488606 1162.286111 1583.613477 2905.559469 4137.577575 14696.16332 3746.336592 3440.08866 1561.400703 617.3499932 889.1405276 604.6773358 921.757377 781.9015179 1058.210214 435.2798705 513.2920893 1008.334889 1456.11044 981.2696762 2786.187618 762.6125736 2583.875125 3886.851981 2895.403033 1695.520303 2121.167071 196.2643786 481.3314491 252.7732328 773.0511367 927.3047228 785.3781405 710.5209897 889.5273097 666.5723194 646.6835073 563.5453223 571.9675557 208.2440198 106.4111624 3461.667541 144.7388351 1695.480761 516.256564 Apiin 4.07813e-08 8245.195326 4.07813e-08 4.07813e-08 4.07813e-08 899.0247059 5892.861338 2334.64629 4.07813e-08 47089.9736 41359.82171 34452.1715 40269.35979 49685.23316 22798.0395 42298.12834 27604.84949 41393.3277 4.07813e-08 4.07813e-08 4.07813e-08 377.5738706 4.07813e-08 4.07813e-08 317.2480258 4.07813e-08 4.07813e-08 17811.67065 28482.16732 48373.11829 32028.44795 25762.04388 40003.47337 17071.39422 32788.05384 46962.01982 11478.17118 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 787.0063566 1919.205631 22668.4436 4.07813e-08 25462.35979 1336.070608 Deoxyvasicinone 1877.901693 1521.144054 893.6809977 1579.703037 1214.965589 613.3164242 901.8783433 1284.448641 499.7924201 123.9377695 153.5190249 4.07813e-08 152.702357 145.2615053 195.5745855 152.1079032 245.675186 84.35087549 2636.199317 1022.533125 754.6384564 2490.34927 1610.915827 132.4992805 2395.313555 1615.230189 402.4329334 151.3720484 322.2399939 338.9981967 297.0002915 338.8229366 287.1115233 230.4479882 138.3379172 53.06888891 2875.336472 868.8013373 1243.597769 344.3193103 2192.378798 3223.031716 53.47059818 1193.962882 3582.304383 77.95553771 429.7784036 523.2662972 2056.55091 1459.32117 395.5565419 707.3253394 77.93352745 502.8508913 Nemorensine 11952.34932 14884.36395 11636.86513 9608.768868 16314.30002 9795.03679 12960.9627 8707.372792 6151.314142 5884.560532 8655.942972 4365.86161 7021.452738 4614.74666 6575.144167 3808.838644 3160.424057 3256.729667 14411.82718 15465.15481 10803.84703 12468.05472 17120.09875 16015.84544 15818.56781 17882.63341 16876.13356 1850.991277 4834.59785 5587.858144 2525.791836 6044.742722 4818.530574 3347.680855 2052.435416 2990.657543 12264.21496 12537.54686 9912.116528 10331.76222 14059.09219 15041.06301 15213.30155 15415.51074 18046.74323 10491.68812 7342.102389 8146.236063 6321.976522 6663.655642 4538.536562 6930.316568 5407.625903 12146.47417 Prostaglandin D2 methyl ester 2092.909432 1635.791507 3795.119663 1859.604098 3554.822536 2995.949057 2421.250638 2407.953478 2938.998735 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3493.066053 3003.385998 4868.381382 3455.192152 5563.872364 9452.637803 7852.854089 7322.397908 6097.541412 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.016132089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3754.982478 2107.990661 6117.134973 7216.363015 4346.52038 2550.182841 11056.60741 7754.402916 6074.011595 17331.17053 7158.662019 3146.064844 4049.008137 3069.149491 4.07813e-08 984.0467587 4.07813e-08 2165.266775 N-METHYL (-)EPHEDRINE 421.1733111 661.1194251 260.2153396 53.55152459 183.3437292 291.2465068 994.0112026 61.41029692 145.0906655 43.19077818 95.37777808 56.10503128 92.45903006 91.20577648 541.2118306 41.12969294 37.15559502 4.07813e-08 925.4317779 57.95989201 1173.512159 1437.060701 1359.275475 460.0800123 807.8635003 243.0802659 1246.25249 203.280033 310.3955497 258.9402487 687.1735142 332.5247355 248.3574567 573.8413414 94.6444203 158.1214628 574.0921362 360.8281567 494.739539 331.2125846 669.9361801 199.8239113 904.2914645 269.2356986 198.617179 226.8983482 202.9218856 281.3072154 2912.150939 206.6687482 4.07813e-08 471.5339905 53.73463334 326.1562888 Chrysoeriol 4',7-diglucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15712.84648 15063.5525 561.3951474 16474.0924 4.07813e-08 8723.843908 4.07813e-08 8309.184338 6113.643941 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15693.75687 12309.76068 4.07813e-08 11212.82649 13696.27807 6135.170254 16927.23935 1693.351484 574.4768357 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15194.62158 4.07813e-08 19208.76474 4.07813e-08 Pelargonidin 3-(6''-malonylglucoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2178.843964 1293.687716 3028.722642 1624.041276 1597.655704 3376.135363 2289.903468 2916.026642 2546.114418 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7899.380504 7868.9901 1079.996088 6555.233438 8706.827532 2189.945892 7741.407716 2767.154005 3698.134368 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11155.41448 4.07813e-08 9695.345976 4.07813e-08 3-Oxohexadecanoic acid glycerides 177712.3673 193822.4525 134778.3721 251017.8287 218684.4971 245686.7875 185038.7898 260970.9054 351371.7907 28664.38265 47833.44505 51989.32392 24817.4014 38030.22118 50444.94095 44083.19813 35676.57829 24827.03248 151638.9606 113747.3979 205187.1565 129225.9668 143394.3717 109219.5933 126027.6319 148292.5324 173102.9062 42905.35964 54897.76294 42949.4514 56612.01139 61386.12005 56087.74046 67293.61538 51429.57579 37760.54675 120241.7743 132161.3872 194897.7304 203823.8901 139552.2256 141778.97 96516.15995 139228.4331 162142.6764 91575.1462 180492.1807 190868.7294 209946.1059 380175.1457 53275.77124 169123.5856 64277.79778 99770.46825 N-Nitroso-N-morpholinoaminoacetonitrile 1569.852232 1684.994074 1632.367935 1286.676066 2370.473121 1969.478622 1339.754602 2307.130797 1768.343943 908.6192272 1162.184656 861.8965218 846.0731002 1081.737763 710.4837641 684.3435342 803.9299205 1171.243285 3519.680165 2641.072701 1999.893597 1590.242453 3460.725277 2114.42518 2363.592643 2980.431604 4213.082828 713.3937877 795.6000835 1138.668358 427.1709991 951.6283474 974.9019937 943.2905491 755.4151475 972.778914 1845.992427 2025.962085 1481.564206 2592.944556 1903.530969 2744.028343 1775.618524 3411.209077 2645.176815 1439.986746 1657.948192 2681.842191 1511.526817 1700.030801 816.6420896 3202.739117 696.304955 1824.371457 2-Naphthylacetic acid 1541.343523 814.0013068 1866.773316 2364.803701 1983.349546 2720.773675 3988.055859 1001.178872 908.9183393 249.0745284 444.2019903 97.55121425 219.4612337 185.4684352 4.07813e-08 236.5196014 566.5208957 64.90143661 1352.685743 393.0348459 1929.28313 2484.268342 2314.196191 1101.062946 984.1245644 896.1991932 1471.155596 260.9853566 335.5941426 814.8342697 504.6599447 838.9830649 278.5722371 175.7421455 597.1927251 367.3354701 3664.612169 1532.249386 2134.281811 807.3677953 1821.189204 2134.219907 1214.051533 715.5157357 756.4111846 1106.175672 899.8014962 1683.788656 1350.65779 1903.639628 352.8938809 1914.63071 722.0245766 2082.358007 MG(16:1(9Z)/0:0/0:0) 2291.293623 1827.622219 620.9678234 663.1084006 751.5935905 251.157741 834.0479508 286.4007229 80.17328322 4440.657815 4395.78283 3942.41958 4766.664588 1693.457717 3255.945071 5583.019391 20612.79001 15.94418776 229.1363438 1655.149887 403.5861606 815.7599692 2137.295892 1896.645994 1959.397761 1126.203137 1189.87829 6325.32245 4211.763977 5688.422987 2899.80502 4934.726935 5399.221178 6640.727295 9263.405602 26.97417952 2592.255663 498.5921068 145.4231683 741.6782003 951.6515331 1140.259858 2999.545974 733.9538495 1189.159522 1528.657166 1524.911591 625.5146595 1801.973708 518.4064997 10025.57574 543.9171424 6142.122053 1257.845401 6-Ketoestriol 4314.91189 2416.117103 3447.101857 3386.070266 3740.27373 3319.415163 3109.487093 2495.76133 899.6824407 0.454336135 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 242.6482892 8556.960825 6046.797946 3669.745322 6270.345654 8769.728107 7541.867852 6861.786974 7563.473438 7218.744457 98.77756901 4.07813e-08 107.6380059 4.07813e-08 4.07813e-08 6.411495181 138.6262483 4.07813e-08 4.07813e-08 4024.309004 6384.00419 3043.766528 5519.582807 7933.056255 6604.50699 7246.444002 8063.035297 7860.615574 6165.17416 4469.581075 5205.924804 3297.938395 2126.361828 18.49115965 2578.077078 5.109441535 5809.669373 Resolvin E1 3687.157569 2438.265484 4316.594181 4469.840479 7073.747332 7046.232237 2748.155428 2298.955267 1555.311239 404.1006735 124.949251 99.22674459 4.07813e-08 248.6829512 422.2627571 344.3611395 12.73686537 145.7191489 5628.536379 3268.768386 4697.923709 5195.072729 7114.386688 5976.589681 5814.012906 4997.15415 5996.494211 4.07813e-08 4.07813e-08 460.3041822 4.07813e-08 4.07813e-08 116.6576815 4.07813e-08 4.07813e-08 4.07813e-08 3174.182304 3925.075752 2992.433374 5346.706298 5960.884537 7281.113705 7144.310982 6212.250824 8113.249857 6086.466865 3952.588561 5050.311511 3551.298806 2197.70019 258.7984615 3008.868719 231.6723311 5060.9927 11-oxo-undeca-5,9-dienoic acid 2296.738361 3049.603937 2636.961107 1237.612522 2944.65499 1958.822619 2873.036137 1634.406435 1543.091718 464.9046713 5.392231208 225.5265456 487.806233 323.6112214 418.6209745 541.5127539 406.9114157 425.0256936 1692.736025 2200.634726 1181.282979 1878.853208 2786.935984 2252.948756 1938.739603 1596.266909 2409.173907 202.8981944 526.6998841 510.3820817 599.1456108 489.590777 449.7232055 372.423833 797.5039287 627.7209003 1813.354169 2504.010642 1796.056218 1483.928612 2113.258036 2788.067168 2625.590988 2370.258419 2327.13562 2850.928522 1346.107102 2496.931777 1939.441714 914.0170028 394.0994639 1381.415348 370.1406168 3115.223688 3,4-Dimethyl-5-pentyl-2-furannonanoic acid 2750.774681 1256.200142 1096.674417 1366.264457 253.3473767 294.4828751 206.3946805 147.1643095 863.0797646 232.6532701 110.3210304 476.7528049 4.07813e-08 529.3391377 4.07813e-08 4.07813e-08 78.54540518 140.9301997 4668.580549 3204.57862 768.5143315 1134.311142 3812.869004 4.07813e-08 1550.093659 3406.293815 796.9548786 4.07813e-08 4.07813e-08 542.1105679 4.07813e-08 4.07813e-08 301.0486553 4.07813e-08 187.0187411 224.6731997 2156.863987 3044.740172 1331.744642 4.07813e-08 889.9273996 3308.616517 111.1062097 3976.53549 3173.953507 3095.625453 1979.846744 2618.452205 1784.104845 1796.265554 292.3675386 264.3051983 4.07813e-08 344.4193655 Cinncassiol E 2493.93486 1829.044062 3423.572111 2004.162675 6362.607673 3220.976315 4125.584803 3873.589579 2277.910347 425.3717166 206.0767327 268.3092096 4.568918312 174.9964492 504.8249904 446.6847022 1323.911696 11740.97509 12621.7134 13889.65482 11207.90118 11089.356 15996.09992 10028.9144 15615.92822 12401.80281 10241.70516 800.5607703 1263.75574 646.2797483 804.0972237 1275.299673 1156.884662 662.6357173 413.1738271 1323.058782 8571.419734 11250.7791 7249.149609 9680.825029 11962.99277 16193.1898 9031.729344 12147.92295 14530.28496 10708.27879 5382.849782 9564.47805 6478.993257 5192.692407 2741.494451 8891.748519 1286.600486 7452.922331 Blumealactone A 9046.898712 7788.754894 6755.712507 8132.768892 9670.681294 7393.739368 7904.55627 8836.452664 7461.984092 3707.03206 2674.078564 2228.312523 3296.305925 2063.391771 2171.993435 500.2364344 618.3190247 2916.01062 18328.91875 16979.80594 14122.50661 14222.12834 18244.85558 15311.04752 17198.37276 20041.28158 17919.15867 3485.653678 3196.36317 3908.237313 1914.945249 4707.017238 2707.055672 3776.890214 910.7999535 2157.478117 11048.98677 13704.26846 12821.26497 14269.9263 15130.20414 17293.86889 14321.60647 19823.02623 20076.08747 14227.31298 11371.94915 11613.42523 11944.05416 9913.601581 4884.054071 12309.30962 3519.606581 12205.67084 Biochanin A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1980.090215 352.1346209 2335.764152 1725.014213 3072.051566 1801.73719 907.4715738 4.07813e-08 3317.435391 4.07813e-08 4.07813e-08 59.00993827 121.8651087 67.43648326 4.07813e-08 4.07813e-08 42.25626493 48.73733592 4.07813e-08 1790.870738 238.7207101 522.1188911 72.2291403 177.6419871 216.6159655 4.07813e-08 2144.624507 4.07813e-08 4.07813e-08 4.07813e-08 51.90456337 4.07813e-08 4.07813e-08 33.13520338 31.84534402 4.07813e-08 4.07813e-08 59.98249521 37.63877491 80.7348027 115.9154249 2618.359439 90.25616402 425.6329134 4.07813e-08 Farnesyl Thiosalicylic Acid 6541.103539 8206.055156 5944.630461 8820.141071 8460.019341 6764.016488 5438.071926 7031.878083 6695.13896 1763.860643 2747.960819 2401.656734 1627.353192 1910.270181 3691.499041 2068.741687 1669.643296 2385.863558 9552.644678 9628.888724 8833.541573 9032.473735 10419.82001 9374.781607 10257.66169 8369.139586 10149.34336 1483.44362 2373.228846 3297.301116 2297.886006 2734.194808 3066.382352 2602.733325 884.7202753 3087.454243 6834.781667 7435.882149 7491.419781 8283.94016 9238.757074 9582.608917 8306.418877 8679.843971 10513.99589 9666.167961 6702.218594 8593.030813 5063.518403 5510.130032 3392.006881 8851.532014 3082.068653 7658.924159 Racemethionine 788.760436 585.0682401 162.7354034 546.3028154 573.7482158 136.4553543 222.8476901 361.2515665 626.715623 215.5396594 494.1042846 212.3135293 310.8645809 113.9941683 343.886094 124.3923252 164.2234318 274.8578582 895.8732185 869.3935862 882.840841 616.9865862 1106.398176 212.8670754 792.4825066 524.706256 692.746993 379.4783848 403.4025499 365.7322973 317.1719594 324.2880414 231.158339 284.4580127 278.1934913 229.095828 650.1276621 579.5228759 694.0214561 663.0875962 845.3950048 1045.983657 18.91722891 951.2658927 189.2015798 293.4830901 282.1095361 530.8499725 644.3043885 722.9403055 247.8260092 708.4603231 313.8727951 293.4924476 3,4-DAA 807.2669448 2454.655218 322.2304216 236.4856021 567.7662144 166.0953495 1393.531286 793.2953935 1581.252927 11539.78126 11354.0575 11927.6145 13532.19343 9412.268104 8338.189086 8471.991465 8388.498651 16939.39685 4.07813e-08 297.7389354 251.6278464 328.4561218 483.6541961 662.5997047 4.07813e-08 715.5785504 326.3553663 9806.448303 13421.96418 14706.65237 9010.081959 15777.76483 8327.579284 17527.5078 5835.750546 11273.8156 1560.736745 365.7529144 751.1175483 513.4297557 377.852773 795.1989505 165.4354651 753.2032543 674.0819041 334.4624166 1235.700788 541.7588939 1910.962611 3006.822419 17443.9693 823.1784777 14825.00629 403.9475671 3,4',5-Trismethoxybenzophenone 2519.376461 1555.9484 2555.869884 1503.879955 2179.485856 3108.961567 4001.578699 2317.138749 2256.02815 132.1002668 605.5164096 1754.952833 225.9206038 3652.795301 398.3699722 384.7039186 722.654339 1085.974454 3485.319501 6353.620534 511.9844699 2472.659659 5458.744756 7811.37711 5082.926903 2515.726111 5811.004005 138.2183277 35.93438415 1680.223938 446.1833906 116.8355025 110.0945137 456.5180805 168.0403818 4652.412572 3200.721491 3114.85815 1427.602027 2144.411547 3495.122844 4416.484112 7712.458118 2323.780868 2710.51322 6267.966136 4636.089743 3537.503295 1139.54204 423.2542364 484.3533493 2394.250422 4.07813e-08 5768.751069 Istanbulin B 3839.874292 909.6887759 2295.903433 3769.574091 3464.247768 4277.886497 3663.996921 4114.703887 2838.467338 732.2529724 1183.481115 428.0665019 872.2230925 719.2017875 1021.077942 692.5316451 898.9403846 848.7190161 5286.13163 6753.682922 8525.002602 7792.358241 7127.97062 6367.55642 6121.457636 4281.217892 5474.591319 736.8169178 452.7331387 898.8313477 568.2651893 884.7970378 636.1516815 726.9916031 810.2306904 621.0206252 3853.803503 5481.668472 4028.767692 6862.660811 5379.719246 6347.691586 6360.904186 3763.979348 5363.767148 4239.87986 3249.18812 4683.262461 3757.911574 2995.9101 1223.918467 3628.20099 947.4588478 5144.387362 1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid 2232.9143 1318.579389 867.7893791 1315.989787 1886.562893 1319.472872 887.0215321 547.7716716 616.589074 1136.91697 707.6938041 4.07813e-08 1213.773262 413.9709317 523.8945787 323.9438579 366.3596385 302.5309699 1347.986054 2206.26303 852.651701 2154.092994 2362.340318 1.829159532 1534.277226 1901.330047 684.2521186 601.6903025 832.2152584 493.7395368 753.9819018 769.3834957 662.8658311 940.804447 330.0985707 509.9030499 1993.471705 2880.057094 1936.380782 694.6492635 1362.313333 2841.523391 157.086552 1681.959292 2639.566271 1.479270983 1024.17674 414.8634624 1894.643447 1410.941266 882.6280453 1512.461389 327.2846259 772.1563175 endo-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-N-oxide 1980.824575 338.7384205 992.096873 3209.608515 3141.329136 3744.255752 1650.892272 1029.22126 348.7374974 912.024429 795.1851826 353.5186168 954.2310037 91.0078188 229.9867142 747.3842461 756.5525889 228.532841 6403.823253 6211.224649 5084.765075 6449.693044 8887.689264 6560.178184 7528.483888 5426.99194 6028.939634 281.7974953 859.858806 1124.855894 609.815541 1871.782624 821.7492477 965.4033906 865.3165 4.07813e-08 5133.832936 5142.34613 4706.071361 5875.747122 7717.479122 7955.949434 5016.973935 6639.799947 7115.156624 5591.240644 3540.23465 5417.369326 2341.36805 3080.563163 882.6372601 3950.115129 1377.407111 2973.634799 formyl 2E,4Z,6Z-decatrienoate 2623.904024 1779.903599 2102.925917 2095.242643 1945.345753 2631.865052 3685.131603 2098.583476 2206.62772 1269.775924 1193.855181 800.9594368 1200.529633 1029.993113 1134.909437 1532.046828 1224.957568 1117.212898 1733.890262 1973.554726 1597.068333 2014.66371 1900.021876 1903.037832 1960.968577 2104.977644 1609.168951 1035.578883 1117.70147 1481.605678 1396.249796 1314.66325 1306.669419 1332.4989 1065.891807 1149.270754 2239.243061 2066.350021 1920.244865 1799.761532 2129.149911 1915.977247 2154.0094 1851.325979 2056.14491 2054.848096 1690.831129 2373.629563 2077.245168 1950.340793 1695.046043 1821.621069 1697.760099 2597.254276 Lactapiperanol D 5104.020492 3948.542187 4813.872782 5076.059071 4567.945776 4664.032665 5408.062055 1645.633736 3513.485772 2017.372431 1192.621754 1739.116237 1935.173197 1266.276152 1700.439515 1517.091165 1354.829036 1622.824717 5465.428466 7228.005025 5661.010504 6873.754251 6396.988293 7420.264995 7352.070932 4104.940952 4968.655897 1231.27079 1394.189872 1607.502586 1632.834387 2389.23868 1599.023692 1231.605122 849.9925676 1774.477419 4609.547217 6113.276478 5670.634207 4868.10448 5738.427346 6971.473713 7350.18969 4552.363254 5588.656913 6532.116748 6031.997454 6555.698289 4228.618202 4309.037384 1858.429287 5938.317782 1415.139672 4118.124884 16alpha-hydroxydehydroepiandrosterone 3-sulfate 515.9769525 5877.05817 1715.697979 4732.972754 2292.692055 4833.138694 5872.504149 4594.963314 4047.739655 1748.296656 3187.366752 2256.623341 2095.364901 879.7090947 8084.579762 4293.154438 22169.41475 1533.092644 2372.323397 4272.513389 2159.651932 2717.466518 4483.855367 4830.878886 3042.991713 4262.588756 3540.697012 6001.762324 1008.324316 11734.26799 857.981573 5123.712053 7050.146193 2330.440123 16883.23578 4075.234606 1818.349604 3177.052814 890.2466849 2453.573739 2547.414018 2807.230141 5800.817921 2382.169678 4790.235878 4586.39613 3662.238433 3799.104279 1953.461037 5124.437374 7760.207989 3906.756711 3648.757156 3756.966289 Zolpidem Metabolite X-1 123.4456353 1419.883017 4.07813e-08 4.07813e-08 227.189673 1505.336541 507.0857582 1265.958848 1855.030662 1342.450828 1435.324102 1655.430212 1393.556088 4987.776744 1548.060337 964.4458846 1253.85939 11375.345 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1023.687995 2418.927717 5592.287336 4949.189938 7552.253641 1871.254317 1052.053309 1018.173737 11326.21634 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 827.727954 145.3167405 2320.24667 1714.716838 9042.021812 571.7151096 3524.196151 2049.824151 Tris(2-methyl-1-aziridinyl)phosphine oxide 7432.041964 4992.293735 5770.131341 5972.720639 6974.487495 7601.194244 7157.931915 8302.512387 6976.659428 1154.2991 1091.478706 546.2956131 1583.007917 728.9436276 1173.870454 1224.73717 1644.112049 1228.608979 14079.03704 12608.75238 26767.77945 17695.16379 11095.15357 13079.756 11464.25971 8759.188247 8498.669251 922.7587015 1089.603373 903.0306859 684.4012503 1489.995366 1119.334524 1025.018253 1228.915145 865.2434967 9517.387327 8492.211315 6160.185 12875.65236 10759.16953 11317.62839 12689.41246 8307.693824 9654.88021 8335.160901 5824.598292 6933.280129 5543.907739 4264.93765 1598.085782 7050.478267 1536.39296 8375.85983 Crinamidine 1898.979428 3588.455646 2530.520233 2476.564443 1850.055049 4490.715517 4481.006148 9136.132701 6439.825464 4.07813e-08 0.998486468 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.131160104 1.708270977 894.8302139 1633.086222 272.7226388 226.4801205 4.07813e-08 2504.153297 1173.179836 1559.245809 1343.33888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.238381493 4.07813e-08 4.07813e-08 4.07813e-08 1.236313134 9.479190406 1981.411796 364.9001588 1032.150908 577.96546 4.07813e-08 1712.293999 2041.901851 2856.697122 6793.939924 1364.803478 2539.67696 2359.207756 620.5974225 4.07813e-08 1805.19771 4.07813e-08 2302.437696 Platydesmine 215.826175 4.07813e-08 169.3725535 486.3177439 399.767736 1719.792774 1960.534732 280.7814336 192.2252513 120.704075 307.2501986 43.41908836 109.4023961 55.07013507 47.96168255 957.5787308 4.07813e-08 155.6962807 299.6487741 674.0430054 1482.137207 2652.521617 2393.397829 1469.312627 779.5694648 961.8247932 735.1363492 4.07813e-08 4.07813e-08 273.1563293 534.3638877 123.820527 406.3697583 239.3423998 4.07813e-08 71.64892969 2955.674744 1128.206827 1576.745596 1175.382001 2138.89567 1517.834465 1138.340015 529.747416 283.2935289 1009.843637 809.4301241 1412.634982 1017.649059 896.7426571 313.5939897 456.1294021 487.3303284 980.3706772 Dihydrowyerol 696.7246573 2803.895398 817.8914949 893.7548445 1192.595417 894.1195933 516.6876386 804.7306855 1489.929262 9941.289972 5493.347216 8840.688551 10986.16953 4972.512161 4961.505107 5852.651146 7082.670294 7729.986811 796.0281878 1473.416777 457.8759253 1189.582986 1375.952442 1550.69419 1794.770697 1027.551448 1078.157444 9373.290353 7877.544569 7171.048354 5808.781959 6670.654576 3613.273 6838.292468 8954.727026 6433.19902 2104.622171 1068.962039 803.2859855 645.7806482 954.7803944 1528.13034 1311.09 963.8252627 959.4396777 771.0865264 862.7989809 1353.27886 702.8478553 2118.630446 5859.855087 1068.895828 2999.123299 1630.248048 Kudzusaponin SA1 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 964.2566455 1277.861734 32798.121 21646.17558 42538.69382 20035.62544 32750.14178 28552.72944 17339.66172 21388.9577 49824.24125 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 138.7310063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3898.123814 47368.15109 58571.86432 21726.01134 71254.27278 26235.27317 4565.09229 13225.47095 35413.80949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1803.784919 4.07813e-08 4.07813e-08 4.07813e-08 27256.60348 4.07813e-08 74267.88004 4.07813e-08 Bornyl formate 1477.538938 593.6652939 840.2724639 1992.049333 2265.222301 3615.92874 1429.989864 978.1270553 444.6484381 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 695.0812363 1042.167367 1021.122747 1811.545886 2116.624306 2158.579895 1718.004523 1491.255896 2262.916999 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 899.5999618 1750.810925 731.890321 1110.170938 947.9676032 1322.233038 1466.044869 1014.646924 1725.683073 2052.105491 1244.870642 646.3016851 965.2855726 593.039505 4.07813e-08 854.9327133 4.07813e-08 1063.554659 Melilotoside D 2934.945122 7.351806776 1096.577202 4.07813e-08 1341.337498 4.07813e-08 1799.506199 948.4524325 468.8377916 1843.206437 109126.6738 35017.87574 2122.324205 50157.39314 30768.10698 221022.4121 410714.8516 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2375.948804 4.07813e-08 1813.018119 4.07813e-08 539505.221 24515.34867 16200.55532 7213.83772 18599.7128 46287.8947 25309.27642 666523.2693 4157.981986 4.544832448 718.6332091 1919.552546 4.07813e-08 4.07813e-08 148.1879359 1088.513709 5817.740433 4.07813e-08 1073.681356 4.07813e-08 4.07813e-08 778.7969709 2946.339427 2466.0718 4.07813e-08 4275.431639 1823.939472 21-Deoxycortisol 3812.97844 2792.711224 4114.534773 6094.568429 3754.220721 5860.529156 3627.36527 4591.355979 3705.617477 155.7282511 1110.282532 543.3330906 135.1838218 4.07813e-08 370.2194509 4.07813e-08 120.6845083 318.7218442 6025.433373 6980.228924 4959.11761 8010.151914 7670.182166 8026.019184 4292.434556 6475.318073 8685.489408 4.07813e-08 88.82186487 436.7696286 4.07813e-08 1961.630558 174.4585063 500.3383176 4.07813e-08 836.2893668 7094.636663 7588.334475 7203.639189 5637.954473 9841.867719 6410.568695 9422.514148 4541.945739 7594.519457 7502.951734 7649.884138 3777.393191 836.0790097 3105.242999 114.510941 2127.499678 534.9968028 3056.440436 Resolvin D2 7215.857912 6677.741039 5747.212829 7436.754745 6008.944308 7525.742385 7800.04383 6759.915271 7158.401145 1961.802311 1214.916409 267.2351167 1964.659247 260.6582403 562.246803 34.86743159 642.8259949 1517.906899 12096.36041 13676.26706 11706.88986 13254.44288 17029.62879 13703.93285 11390.88593 15829.7168 14681.79346 15.17668814 1638.12748 1358.006111 729.6625875 2308.345211 556.1069226 1694.721098 252.6581353 900.0713046 8018.617225 10166.89155 8248.491782 10615.25879 13609.37536 13621.3569 12315.98977 13280.6434 17678.5457 11557.45388 9416.795209 10071.53389 7373.149476 5679.407026 3304.02666 8114.823072 3055.785061 9889.328275 PGP(i-12:0/18:2(9Z,11Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 647.183235 4.07813e-08 4.07813e-08 4.07813e-08 78376.47047 35739.86278 841702.5505 90407.84967 1813612.107 515875.3584 625985.4798 773117.062 563432.6013 4.07813e-08 4.07813e-08 1265.844525 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 185796.1889 37971.22959 450.4009838 54571.95137 7070.999832 4.07813e-08 23114.58388 162535.4402 13080.50012 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13092.10988 4.07813e-08 1221.203983 4.07813e-08 205651.8406 4.07813e-08 432.9417162 4.07813e-08 11,12-DiHETrE 12557.54387 10892.17389 15595.15872 20947.12457 19903.5635 18350.2463 12252.05856 9103.69386 7417.813543 795.4140942 1481.368286 1029.667947 710.6184786 944.7776582 394.13457 1426.718149 1874.402618 574.1838316 18126.82133 17165.3667 10005.44309 13287.04405 11668.93002 15878.26444 11339.28709 16157.42258 17133.93449 4.07813e-08 685.2336147 1077.459592 671.0365833 1329.893914 360.0457717 900.9222172 227.2179363 324.2337287 10323.06218 12440.91677 8935.693351 13203.00203 13887.99339 12929.87261 16948.99722 14647.46649 15760.40906 10070.93366 6735.798808 10786.73455 9055.344023 6839.839576 897.091798 9572.675893 643.1478802 16331.46698 Furfuryl octanoate 6902.437703 6153.127722 6502.927695 6471.436852 5915.457504 5999.337167 6635.179979 4888.021566 5202.700796 3223.984432 3030.953279 3417.861028 3427.268852 3607.766873 3176.303294 4048.908589 3087.606174 3528.23272 4171.284784 4742.440797 3991.98532 4881.049844 4574.773775 4592.613182 4827.723742 4642.419878 4907.035362 3069.256462 3201.425419 4059.379254 4271.662405 3570.916619 3577.006758 3189.845007 5134.47615 3881.248376 5210.0287 5085.902218 4535.301391 3592.998187 3509.851489 4432.536572 4959.511678 4943.241943 4798.720957 5342.820438 4521.8457 5282.311166 4943.804682 4505.544371 2987.427899 4857.522214 4143.017565 5850.542624 Piperolein B 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.320823353 4.07813e-08 4.07813e-08 126.3836433 4.07813e-08 3714.996374 3222.16122 7839.329931 4544.569633 9594.814851 2857.093899 5348.269348 6622.452326 6594.92403 20.92110383 141.429284 98.67444502 125.298547 164.4853689 4.07813e-08 4.07813e-08 4.07813e-08 132.2183017 4629.04347 6058.268849 8051.304334 3465.779395 7010.906584 4709.598819 4362.10733 7968.922244 5243.370679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.72778424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22.01238314 7359.093535 4.07813e-08 5561.02492 4.07813e-08 6-[(1,3-diphenylbut-3-en-1-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 1116.992484 7588.981557 880.4093263 4085.916916 1701.862512 1590.564943 5882.954159 6483.06463 9945.275893 2868.579418 1373.981609 2010.174141 2625.260961 5808.650652 6600.795854 3986.653322 4.07813e-08 1902.669805 274.7473154 145.0715649 330.7039615 500.743888 112.6265645 109.7763583 177.4246728 698.7736666 59.84852971 4.07813e-08 402.5543709 1817.972277 1518.906416 894.7141328 2839.607929 2507.706563 565.3336739 3339.765209 148.3111881 209.5300605 4.07813e-08 128.9885035 220.1219831 146.9282424 4.07813e-08 379.0743551 430.364684 159.35457 1496.474766 1240.56716 3407.543326 3604.143183 2183.577255 3021.223433 1734.907087 3732.814681 26-Hydroxyecdysone 14773.82913 19581.46092 19426.48612 23285.06475 21727.04442 16893.16459 27799.88422 17030.85813 12688.93086 3378.401963 2221.109457 9361.817095 4280.191563 13710.8371 20479.59313 2671.764461 17986.91145 28187.80805 10638.40612 14701.9475 14136.95538 21582.61794 17554.14627 17542.42368 24488.73099 12502.39148 17726.17719 13969.1321 719.6909757 348.2417667 410.570754 1586.534169 2663.76328 773.549869 3102.587569 2037.368346 9880.274338 18217.27407 13230.29308 32289.60209 22843.18209 17747.90924 15521.54178 10346.68154 21267.1704 37885.95316 13903.85485 14830.71468 12499.01528 6310.706293 4821.350254 8898.671895 743.9179604 16877.72085 (2E,5E)-Undecadienal 455.7184331 381.6207904 429.001256 508.4242935 522.0741919 352.3421748 328.0933692 256.612715 268.6105898 347.780298 293.587766 196.0369352 321.2558559 427.83211 213.6304901 452.7883836 177.3897399 247.8055257 345.2895643 216.5205568 244.4555359 355.1056791 196.1618178 371.2797001 269.7399843 418.7392285 261.7223339 206.5840633 328.3736249 368.4478076 251.1622178 197.8157023 334.0337512 228.8760986 755.9423363 500.2288467 238.1893912 294.3860651 291.361679 337.446065 156.6358345 48.40354758 279.8130869 387.1972287 198.6164462 512.979958 314.933134 398.3843207 423.8645202 254.9889979 75.25302794 282.765737 295.3044831 280.7447876 N-palmitoyl threonine 10383.27092 5529.641051 9287.822137 4965.703421 7090.989532 2925.37031 8441.247822 7723.981321 6596.550437 4667.379404 5670.789282 10495.71042 5936.430714 15831.0224 13382.00114 7903.562391 5368.407874 5217.871372 5793.63091 4878.015091 3539.306405 7835.868197 4923.083402 4787.233909 6522.020303 7041.910719 3284.890625 12911.63429 3497.398821 9176.486083 4636.849175 8774.600468 6879.097438 5174.244784 23135.16968 10244.40039 8743.397261 6708.517538 3863.026684 3480.342015 5542.777387 3906.265985 1430.979981 6135.229705 3868.549471 8893.445558 7738.87074 2726.436613 2726.212049 6050.479685 5528.232319 5522.86347 7062.767151 1831.668718 3-Hydroxytrichothecene 7797.757535 5913.680865 7070.367782 7620.339182 10382.20361 8511.458174 6795.424549 9336.152794 14908.51047 3034.818974 2430.020583 2765.460695 3482.770906 3280.170906 1979.868364 3167.529595 3036.18326 5443.328566 8389.98729 8132.0922 7169.861194 8015.555619 8054.421229 9078.852696 7668.802192 7008.532196 7061.850716 2742.421781 3292.82962 3491.576055 3154.171569 3506.956169 3154.589077 3839.62812 2988.442637 3741.642488 7955.365637 7714.475004 7566.858049 6932.897689 8788.197057 9115.328158 8934.360239 7476.930968 6374.684314 7561.766663 6797.076527 7730.014058 7486.51202 6046.243753 5314.512955 7414.735501 3153.938575 7080.526291 Idebenone Metabolite (QS-6) 20929.45555 14444.17536 18817.64369 14559.31312 17004.89586 19931.48302 12140.86449 20321.25987 30397.42984 27.14938645 0.561039768 4.07813e-08 4.07813e-08 409.9317689 209.5117259 66.9372412 5.09156247 132.2535788 7045.466901 5458.68504 9391.541604 11195.35014 5645.960818 5492.899885 8140.378094 4271.162125 4423.433079 4.07813e-08 4.07813e-08 60.05779695 196.9352136 4.07813e-08 4.07813e-08 4.07813e-08 66.79867366 1347.283894 17121.76936 10135.01911 14301.66889 7269.765735 9242.622211 10820.80473 5888.657045 5287.940743 1861.876223 6552.2084 15776.66711 17258.97827 24176.58003 21747.90406 776.1985581 17313.01168 4.07813e-08 21056.84215 11,12,13-trihydroxy-9-octadecenoic acid 2975.67157 3642.363277 3819.808624 4336.152435 2849.493128 4489.23022 5061.613802 3764.170896 4470.964149 3595.489523 4199.724425 4278.071986 3354.640915 6883.662494 4567.140373 2441.172125 4582.055013 4960.662948 2560.442134 3046.949349 2752.235977 2724.925814 2992.746011 3283.408583 3160.980573 1619.026866 1532.926449 2563.878507 3493.181153 5781.882634 2304.703985 9617.07581 2484.121253 3597.39544 3488.131329 3805.029995 2498.307137 4018.200288 3080.096159 2652.355318 3066.927849 2510.819617 2746.645107 1398.116012 1991.636807 3907.322322 2784.761753 3766.833489 3057.424778 2960.05628 4376.763469 3662.926399 4726.287908 3615.497279 2-METHYLENE-5-(2,5-DIOXOTETRAHYDROFURAN-3-YL)-6-OXO--10,10-DIMETHYLBICYCLO[7: 2: 0]UNDECANE 10560.18013 7315.468125 6096.030925 3156.818003 2959.34916 7600.231128 10220.53468 15137.72019 16074.18505 5206.585785 1512.267287 424.3232638 5164.757107 457.5525958 873.0810696 362.6705421 1659.349919 1515.432675 7025.678246 7257.057601 4537.519632 5596.011053 6119.602348 6525.493151 7050.643664 3273.444355 3610.810971 337.5484355 1073.379504 199.8719632 497.5494199 662.2884684 453.1453514 899.4202892 461.7363166 120.701787 4583.723478 8434.224955 5428.987279 4288.167046 5973.95702 5038.961896 5913.89074 2434.876895 7559.85548 6427.89704 4205.326822 5519.253909 2954.255415 2551.430014 1321.778679 5914.337667 642.2079974 3210.58554 2-amino-tetradecanoic acid 1337.95771 1851.00444 1291.3757 1396.2811 1236.820246 974.2262776 1065.025268 1536.113078 1720.294053 1106.435849 943.5982512 979.4490652 925.0427827 888.2930733 651.8199704 1457.722221 325.5539231 920.7138225 601.3303277 457.3336963 442.5571417 298.1963258 506.9376566 494.3687739 680.1989979 783.7494573 638.6498398 863.0025356 1276.458667 1327.63136 1540.131179 686.7436671 927.1730253 677.7581989 2230.26058 1463.452267 758.8424509 627.1962002 914.3516353 365.5714381 251.5272224 407.2931719 307.8367252 862.2967283 266.2953391 933.1546916 898.1070546 776.9389779 747.0207265 957.2926022 787.7888546 552.8577579 1141.671604 862.596813 PGF2alpha dimethyl amide 6043.154393 5795.125476 2787.365281 2910.023758 2327.512976 1469.338283 3963.982569 8357.725503 5471.673145 1519.523535 784.1422455 1345.643069 1492.414099 1589.391284 2080.459518 4.07813e-08 175.661271 3720.038037 1687.989997 2182.325047 827.9874785 4914.111523 1795.760727 984.8426791 6765.676607 1084.998061 1205.366469 2121.282783 2559.680568 1147.829035 1622.059324 4843.129556 2242.358836 3381.109605 2478.590436 385.033482 5001.586367 3854.380731 3110.871767 3667.000339 4760.080058 2784.778666 366.2057145 1271.41662 3566.51147 859.521191 1409.412008 2168.444107 3484.699863 6692.286082 7564.128225 1928.332184 1059.294712 3535.598363 Digitoxigenin monodigitoxoside 16.52939421 58.82256221 226.5554644 567.4903846 683.2769984 327.1261398 199.3695059 86.87006105 7114.459292 200.5191527 4110.163879 19198.0072 482.4716634 211055.358 21202.79647 19001.68676 10608.70354 41169.98714 250.1131317 148.0470202 6.286186392 1881.655827 115.1338611 418.660215 363.3883335 229.463915 449.7161965 6240.664313 541.8809674 2165.633215 1148.134056 583.9129913 991.9495888 928.37699 5941.932999 1536.716387 143.4479312 107.6500561 4.412436871 558.9479626 1390.523583 82.35927302 118.6918111 217.8550439 383.602817 372.405709 685.05313 445.2636952 1770.330624 0.520718716 5450.156346 468.1396697 2224.214512 70.9834436 Gingerol 16141.23548 14102.78534 11690.86255 8646.740816 9026.738029 11348.81216 13514.8725 5971.205288 8329.685419 4020.419299 4090.284907 6813.358673 4081.86717 10319.56735 4495.795772 6701.745247 12794.34397 5936.821417 12651.73878 12168.07589 7572.560674 11108.99758 11339.8811 13748.2186 11275.87871 6953.079362 6245.755804 381.5002801 2630.142927 6045.98789 2273.536411 6176.707619 3004.530464 1923.000792 1968.266702 3840.737368 11189.67152 14554.76184 10253.35762 7123.049849 9934.733984 12195.50016 13021.8232 9782.290393 14202.95804 9237.721597 10016.98694 13288.36059 8864.031358 5907.285172 2800.796846 13595.66876 2963.261101 8632.783968 3-(L-Menthoxy)-2-methylpropane-1,2-diol 2797.611912 2358.556917 3470.002733 2605.618535 3333.916736 1877.355158 3088.093419 1641.752517 2184.175543 1425.060792 2072.386497 2271.820441 1713.96763 1710.877775 1364.772121 2574.162833 1999.527369 1802.623544 2305.278844 1460.552063 1574.837971 2972.416771 2005.85602 2701.224138 2737.41935 3668.110518 1863.492123 2394.679108 2023.683795 2047.961521 2058.782157 1878.234237 2448.494354 1729.260936 4084.052949 1909.753883 3108.644631 2119.818454 2514.838981 1787.226633 2498.949651 1693.572055 1667.143746 3313.031378 1139.445124 3436.127223 3670.766338 1838.539691 2039.651156 2616.335159 1452.820903 2165.370128 2332.807292 2216.568028 N-Arachidonoyl-L-Alanine 972.2674694 3090.712699 6122.677503 8973.88301 10255.38274 3240.11704 2556.97453 4.07813e-08 4.07813e-08 112.0359185 1327.970813 4842.288618 4.07813e-08 1510.200695 845.9630103 8873.37731 4.07813e-08 4.07813e-08 618.404044 4.07813e-08 386.9542333 229.8700989 441.7850116 510.004064 424.1004679 627.3670353 209.6168853 4.07813e-08 4.07813e-08 1223.111449 4.07813e-08 4.07813e-08 1572.154226 4.07813e-08 623.5046469 479.7048048 153.7830104 333.6434693 468.9887156 608.2756735 753.2080837 457.2257154 1238.286822 572.6685071 513.9795595 3172.825077 3579.200329 1951.307045 430.7871998 238.5026353 4.07813e-08 131.8866124 4.07813e-08 2673.934743 Methallenestrilphenol 4566.564418 12151.89383 14388.86428 9746.597805 11544.74135 8867.669736 22038.24959 9741.6602 6563.869426 409.8112629 281.744358 1862.739463 750.5254935 1894.557681 2689.261951 68.44388676 4558.894029 3634.221883 7389.928035 8567.772277 19557.75866 10480.02782 16362.18125 8947.73943 15404.95067 23497.14776 40020.43483 338.5542269 9774.292623 4.07813e-08 941.3071874 206.1987536 4.07813e-08 507.3108806 2857.834049 182.2313224 8744.363671 16565.86576 21886.48755 18162.98573 9922.187006 13882.21932 8646.468003 20346.83944 45972.26712 41499.54338 19600.63889 14513.23565 12504.99986 10346.04124 2150.582003 11957.89392 3609.506113 19321.79555 6-methyl-dodecanedioic acid 9472.231911 9009.468563 9217.519785 9492.872297 8952.510321 8394.493919 10718.12675 8781.183656 9666.18404 5946.122148 5754.137868 5508.272463 5292.766888 6256.002653 4343.109109 8587.462977 6594.87645 6620.982402 6077.853948 6435.475814 5401.943816 6132.630233 6199.17578 5735.90553 7297.992531 7831.958495 6863.075712 6381.14634 6336.237944 6568.96879 6552.140536 5346.397371 6461.334284 5841.781626 12084.59585 7030.205045 7611.45128 6398.053737 6585.413522 5413.214927 6494.477038 6268.906453 5932.10963 7162.136587 5950.377804 6955.023807 6130.08784 6894.07921 7658.254022 7528.739136 4846.274786 7238.432596 7054.142794 8984.743974 p-Menth-3-en-9-al 1281.726295 1574.902975 1201.392569 1605.130297 1272.417861 1082.3587 1114.934628 1153.556844 1382.868031 937.3568836 912.3734591 855.4848977 979.2445044 908.3626596 588.4690296 1254.452327 839.4581735 882.982336 879.3287429 1050.407201 648.8753065 815.6921874 968.9986944 1048.10742 1244.059929 1099.977249 1013.998202 565.0924198 960.2429083 1032.868977 1042.80909 675.2437106 997.8389184 788.5866736 1139.14425 1023.613516 1095.584503 949.879463 973.2049289 675.7193138 1015.390027 1002.360966 1026.706374 1087.242895 934.0478374 1244.568765 872.1076872 869.855232 792.5008065 931.2427784 569.0542615 960.056329 992.2911177 1095.190134 (-)-Menthone 1436.522931 1905.321807 1474.089735 1348.22985 1623.215335 1009.699307 1227.93422 1505.519154 1497.268493 1194.847524 1059.083117 957.4344741 1047.220959 651.3597928 640.6056009 1182.980479 866.4291224 1138.725617 624.7562788 972.4019505 775.219219 916.7646188 675.0609071 714.4398821 968.0016015 1206.32618 1103.61007 928.4577113 1093.457317 1172.544592 1307.36403 935.4949149 1055.952982 1024.09025 1372.022931 1364.877065 1339.562645 807.2094705 952.7509067 861.3827048 612.6471538 905.8460319 915.4792142 1024.314776 1317.061324 1221.189555 955.3463382 720.7774854 1268.334594 1014.416576 883.3047916 1197.623719 1116.6287 1387.602789 (2E,5Z)-undeca-2,5-dienal 879.49159 773.5023959 896.0593711 1034.005835 682.244883 684.8268753 886.4007027 930.6992601 633.2979299 637.8674848 551.2561306 504.8179056 556.9061944 738.7672466 425.2877324 578.2848711 561.8700878 585.6653218 564.261871 454.3944253 706.8541468 479.0382554 617.9345503 609.6010668 576.1050882 787.902849 542.7916763 484.653957 600.2163737 597.3057908 670.600052 711.6458803 469.9081398 341.06151 492.8743101 822.5271656 590.7005938 629.1993168 486.0831925 704.9764606 412.3762631 501.7515736 540.90378 767.7297722 510.5002925 786.946106 656.8118364 675.5394978 500.7813817 694.7809686 463.814093 471.8890659 819.9604766 778.631217 Ajugasterone C 4104.225325 7254.614127 7248.015002 10412.31223 7526.580535 6233.857379 11893.73497 4824.846405 2948.653262 1480.340759 1430.270841 14111.15289 1416.881568 24209.14091 9717.141738 2437.424 13658.78587 18137.11906 5387.246657 7178.350475 5034.565208 7793.507227 9227.946143 7510.337579 12599.63927 3553.8584 7009.196377 4933.97678 174.2038951 6278.963836 280.8304049 2274.786072 636.925971 893.5815062 3536.935459 2605.298689 1928.80444 7295.215968 5926.998368 16536.44933 9164.95508 5648.994629 5142.461122 2406.549231 5525.435765 25015.60976 5557.827301 4959.693657 5100.406987 1833.970424 3559.945332 2837.622456 34.64249489 4750.173907 6,7-Dimethoxy-7-epirosmanol 1086.868743 1145.372404 864.0462145 751.9560691 904.1701568 1927.310184 1877.833528 186.5978419 829.5554106 80.14820515 66.43797259 145.5030195 87.08134193 4.07813e-08 160.6577916 4.07813e-08 263.5009927 110.3546419 4577.917803 5896.407381 3358.627016 4425.840585 5058.045741 6089.334503 3544.465581 3309.598017 3386.685772 4.07813e-08 240.528588 4.07813e-08 84.65424505 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2123.627676 5612.233371 3169.703219 4781.671069 4879.717342 4494.282471 4700.648916 2559.867787 4099.001255 4032.872346 3269.801592 4556.976197 2696.428332 1357.115925 92.25735741 3003.327026 82.65233778 2425.393387 12-oxo-LTB4 23002.65892 15336.72962 18501.04731 15563.34018 14005.08733 22346.12702 21803.35391 16005.38789 15959.57535 5090.569557 4058.552827 2829.109092 6635.848232 2363.659986 3705.395805 899.1555309 3167.040615 2555.435709 40705.86382 37873.13983 28091.71353 32111.5589 33133.5605 37240.57022 28976.25524 23926.28659 22702.72852 3423.991854 6699.318491 2858.007564 3964.082052 5682.281021 3693.235849 6227.226881 2155.539074 1990.8557 28236.89893 37736.74074 31370.57905 27601.01337 32803.06534 33743.83338 32399.66614 23255.82319 28655.11588 26290.11502 20595.82839 31625.73618 20153.64597 16643.73893 6159.474612 34518.22497 5773.617072 22155.04195 4-Methyl-1-phenyl-2-pentanone 2142.064348 1924.720508 2321.976482 1736.937613 1952.876486 1947.54235 1636.900004 2124.018595 1800.374377 505.1433067 509.4133287 606.3796119 659.530925 474.5248325 425.0317204 602.4017276 598.1160649 720.4561206 2558.207813 3160.12165 2241.938287 2154.223611 1542.925227 1721.635804 1729.623916 1585.61409 1748.802334 449.731081 654.639324 709.8183767 613.6637977 583.3348672 665.5633109 513.0506935 522.7106505 560.0722815 2093.670281 2292.644866 2151.456942 2586.196247 1877.756869 2064.432287 1680.039176 1560.420799 1518.917189 3099.966901 2866.460972 2801.317428 1761.073012 1354.317392 804.8513292 2387.655917 708.4918403 1991.522339 9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione 1792.426062 5019.530086 6295.719118 11770.10981 11128.51505 9027.260641 6632.540071 1099.238502 539.357293 5558.075793 5484.125896 5641.992875 4864.812513 6502.86232 5607.312886 3770.963222 5067.282807 1956.319208 6696.574781 8827.354559 7310.652856 9155.8571 9453.577493 7551.236581 7304.682939 8947.411464 9661.043478 4415.368759 5178.905872 8036.317783 6389.617086 6536.481071 7606.735827 4903.733143 6374.211644 5791.064071 6906.002363 7053.593586 3203.36535 9994.183753 9661.46717 6400.252322 6599.977988 8050.824181 12764.17137 4414.0021 2971.726047 3035.3962 4004.142345 4653.462883 6821.341992 5009.711588 6019.870931 6743.263768 Granisetron 15026.99976 8324.854268 10025.79775 5443.452963 17182.97563 19759.10916 25439.61808 6456.211094 3146.176331 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1886.964527 10386.09878 4964.74419 8160.577853 7813.228907 15311.32035 12629.71289 13778.02699 19216.94605 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1129.186416 10528.52326 2723.678052 6257.617945 10549.80218 4288.399214 16440.28025 17520.39457 3374.750735 7836.31195 5749.624075 9702.739144 3905.967879 3331.170629 4.07813e-08 5275.426143 4.07813e-08 5913.375468 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester 8734.810713 5864.709796 7176.010378 6280.969375 6539.407254 7930.942896 6115.191573 5391.866301 7619.586267 2476.216801 2758.833074 1503.207353 2223.393159 1851.547072 1810.629567 3112.916938 2377.557937 3255.203147 7841.379598 7064.08938 5056.238441 5372.609671 6536.310583 9269.428929 6592.571841 6212.481028 7422.92309 1872.577499 1755.682257 2010.843607 1507.586657 2333.813194 3974.612328 1872.199966 2845.862932 3333.841189 6195.453331 6378.236724 5267.740785 5102.699653 6125.465811 6983.9263 11053.41704 6609.089184 8739.317917 11195.85071 7333.624406 6860.362247 7551.535375 3724.576334 2155.381184 7658.384126 2838.128455 7240.982063 (13R,14R)-7-Labdene-13,14,15-triol 3840.658971 1617.322315 5854.651187 6542.553204 7155.732286 5720.149003 2668.794426 2224.148921 2898.843411 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4439.969848 2575.618448 1879.223763 3109.786656 2104.365349 2740.614631 1643.584673 1235.150137 2243.808297 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1818.602248 3233.970643 3073.375575 2161.52605 2680.540126 2100.193503 2674.256627 1059.096569 2452.679033 1931.11846 2180.914419 4074.10094 1811.807783 1547.940956 4.07813e-08 4320.57585 4.07813e-08 2482.216024 (9E)-Valenciaxanthin 6456.265656 3067.402834 7922.008224 4341.198229 5972.190565 9162.318296 6783.547694 3362.877176 5073.991502 3386.686862 5980.585751 29300.11758 1955.237941 30752.36337 30114.39466 13754.16462 58073.64228 40321.53664 7318.329785 4492.583347 6825.018856 9574.60346 6528.745908 5862.397869 4814.242088 2258.376458 4622.079783 18548.95204 9719.553217 11645.43965 11601.41235 8267.48246 4508.265698 10459.18872 24012.09498 15240.76538 7345.032765 5386.047949 7974.0741 8594.486777 8518.181805 5368.586867 4608.881795 1887.527146 3926.654375 10333.44494 12318.06637 18962.11002 6134.56736 3971.67483 6866.053719 10917.23353 2919.824082 1809.926072 Verapamil 24761.15377 22567.87415 25430.44512 4205.534539 3833.831428 27546.46001 4237.6497 27176.51331 26403.93388 18565.2815 6292.204409 60737.77203 19024.14069 61862.50798 54640.26266 48740.60432 51462.83045 61559.17049 16995.5636 6750.157203 20417.07599 9007.522972 1333.635093 445.0910202 715.6686644 145.4072167 4.07813e-08 41264.69879 63102.4015 17194.93362 58441.2007 27846.45657 17755.14345 50049.36441 60522.45204 38015.31357 27440.1939 4892.391051 32869.1937 7525.853805 1068.934536 4554.422845 0.00567824 163.2111363 4.07813e-08 25715.2512 47161.00286 31829.55095 34318.77939 14922.44754 29042.52678 37666.85413 12317.84606 21451.78155 FIPI 1556.364263 4.07813e-08 4.07813e-08 3753.870517 1341.963623 4.07813e-08 544.3205285 3117.802834 4.07813e-08 610.7985498 3865.194148 3054.771549 208.0668233 4957.300433 5641.742292 11498.99256 22816.12342 26220.00938 44.78217867 42.95602979 59.93213731 517.632851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2189.844151 1864.940098 13436.35936 1030.243209 5391.291491 3290.44256 6040.973622 10249.0342 40826.14275 1151.021237 1.731628667 4.07813e-08 4.07813e-08 22.89228773 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 917.4837713 4.07813e-08 4.07813e-08 4.07813e-08 3908.067846 213.2264937 532.5970017 4.07813e-08 Desacetyllaurenobiolide 9969.002007 3308.193269 5075.445096 6954.222085 8483.730209 5760.542182 4578.392947 9772.536644 8789.713266 102.4700294 4.07813e-08 64.01031341 196.9399746 411.2036401 4.07813e-08 353.5204898 4.07813e-08 234.5221125 1472.5698 942.9152275 2510.0912 3775.511788 1456.989128 985.1533931 1796.412701 1442.653124 1052.460385 194.0896836 54.44352283 183.2626781 284.3200605 298.8876852 47.12868857 440.6292315 58.77774388 432.5029377 7029.070828 1728.247165 2328.419111 1620.010732 2969.832508 2471.641122 1386.080139 1192.850422 330.7616888 1313.709075 2226.358883 4194.085958 6786.928884 10030.76955 350.9818598 3883.929509 109.5191301 8253.757887 2-Oxo-5,11(13)-eudesmadien-12,8-olide 214.9292987 1316.850274 1148.707687 678.719847 1181.68456 1012.333833 2120.734659 4376.442995 2015.918407 4.07813e-08 76.4027853 4.07813e-08 4.07813e-08 4.07813e-08 52.28862534 4.07813e-08 4.07813e-08 401.4727724 376.4467387 4.07813e-08 14091.65568 401.9377892 2963.904844 1652.55628 2737.93039 9.966082673 212.8951729 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 566.5001414 776.5192594 1039.330842 1460.541406 645.7490883 469.0810557 4162.2599 12.48678787 4.07813e-08 642.2109343 467.318707 2744.822841 1864.028202 4288.893875 4.07813e-08 4084.462023 4.07813e-08 2399.526684 TRIDESACETOXYKHIVORIN 16582.544 11625.962 17022.68068 2552.590054 628.2104283 17309.39737 4247.082701 22235.06688 18119.28449 275.0149938 1516.119642 9688.224548 1259.948759 5541.629811 5133.677617 2984.6576 15805.87385 45.66522727 4704.675018 6038.088756 19594.59412 14326.89512 1397.399677 118.474589 774.5132594 4.07813e-08 4.07813e-08 13712.83602 22369.74228 3800.660788 9445.306895 8347.406619 2233.394682 17300.43604 21237.12771 6134.401469 16376.82318 3146.30516 13397.57748 7066.807228 2648.925684 1535.890059 4.07813e-08 4.07813e-08 122.0750084 13142.70018 17935.85692 12238.74045 21906.01541 11247.43792 5273.085885 18809.15985 1354.847286 4972.979381 Glechomafuran 6403.41663 3859.783445 7108.79934 9714.352476 9286.896201 10810.3048 9815.072682 9829.358907 5398.491806 4293.823399 1289.491936 2246.697701 4069.88091 2744.613682 2948.05725 5341.433198 111.044157 5089.579255 3699.98062 5664.972727 4236.114061 7072.638915 5096.223848 3919.878505 4215.952574 3290.346166 2393.045634 164.2239719 395.5968876 3125.893645 1481.643439 1126.748831 1031.701828 794.4018986 49.21809036 5707.602019 7266.636874 6612.851505 5459.52017 4546.378585 4541.313899 6483.726883 3879.811619 3009.674689 1351.782515 7350.807587 3837.656787 10040.05241 5680.804509 3532.220923 3201.894144 6069.859614 2230.932126 7871.506689 3,4-Dihydro-6,7-dihydroxy-1(2H)-naphthalenone 287.1854665 469.833933 241.3596597 621.6351185 132.8125757 204.2746367 311.448094 43.06187849 174.2322973 4.07813e-08 4.07813e-08 31.60123372 63.29098356 78.27996092 34.53912703 46.58388048 35.33529536 4.07813e-08 408.6049969 1507.535915 441.9159303 824.8969358 964.9832555 703.9952103 377.7241259 46.34084689 198.8415894 4.07813e-08 85.84219666 50.0978774 4.07813e-08 82.19749733 4.07813e-08 4.07813e-08 4.07813e-08 50.82526103 386.5540835 2055.000449 397.0836589 613.9309871 1337.386368 1228.100631 853.303318 88.92435475 52.64183834 1110.571054 865.694389 1127.580133 596.8475283 374.8553123 112.6632488 432.5656579 44.74710156 148.9461583 Ethyl 2E,4Z-hexadecadienoate 1579.903892 617.1002113 831.5768723 1216.505213 783.2707835 792.1991858 1796.926516 1463.93603 2005.26667 235.389431 51.88341171 4.07813e-08 127.5334877 147.2117199 94.80490437 138.4044418 289.05883 4.07813e-08 3068.873035 2008.460484 785.1804651 1179.969078 597.6940377 2028.889136 1550.11777 2146.234643 1866.795331 139.6645142 4.07813e-08 77.18154617 79.5641178 130.0676343 232.0255771 139.8326508 142.1338065 4.07813e-08 1175.572933 1705.095462 660.9550041 191.8733095 1108.866889 601.6912206 1899.321296 2345.726297 1514.047973 1306.626939 2250.855656 1172.4736 719.0309216 865.2943829 214.0546634 1440.656046 124.6088782 2351.30634 all-trans-3,4-Didehydroretinoate 4945.13623 3661.590904 2934.226924 4151.943097 3023.206994 4968.591308 5834.994567 2113.449853 2732.361204 952.0232749 1204.847208 4.07813e-08 589.9448942 164.2433512 774.9072527 328.1091063 4790.379732 746.151023 9735.923035 10909.05185 8625.776171 8917.315364 9550.48315 10719.51102 6763.053725 7521.832711 7669.904479 911.4239538 1798.845957 1078.858861 142.197017 2663.450326 141.6214381 705.7339485 873.2834791 73.22489597 6206.312372 7398.556616 8029.995111 8204.395571 10348.6975 8219.677502 10039.18181 7206.919376 10244.19756 7471.932288 3644.541209 9535.785507 5295.584951 2709.179527 1352.01611 6538.686069 1729.271471 7548.188377 Isohumulinone A 4.07813e-08 1668.510661 288.5846521 1680.912594 408.5956089 262.7315426 958.508104 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1476.642439 7982.901606 1218.363764 4741.444352 6214.955148 2110.076181 961.8042873 284.2079169 262.9431361 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 117.5489503 4.07813e-08 4.07813e-08 756.2088922 10833.58241 1593.491859 2308.057266 7378.636426 7167.937974 2118.307081 141.3426709 42.40474789 5572.897572 3826.91469 6926.389015 635.5327673 945.5929367 104.1170519 2994.738243 4.07813e-08 4.07813e-08 Epilubimin 17461.24367 7705.173552 10028.72187 9320.840288 7835.940678 40484.48951 17416.27498 11652.49983 13600.89139 3609.174496 3426.513797 3396.497362 3582.357851 4054.612343 4482.549677 7119.199124 4142.825992 4446.026088 6823.587478 5586.235062 9026.642844 13367.08898 11800.35262 12106.01743 6967.65107 9188.967959 8449.838263 2750.299717 3226.387721 4503.86126 5693.137143 3400.597742 3556.800022 4399.631038 4598.641458 7876.83637 22672.66482 10479.51153 13125.15267 9432.841896 14974.391 7626.971098 13406.79556 8326.137462 5401.194265 7260.091294 9083.750028 16094.20713 14268.76751 8679.866946 6195.786849 8316.659092 6803.578438 25118.05566 7alpha-Hydroxy-3-oxo-4-cholestenoate 12484.27411 14572.82591 19356.13841 19877.71678 14870.75099 23448.64303 20646.8904 15374.2534 32294.02521 1856.024344 3298.543067 25169.14699 1861.973614 23246.64616 25337.90714 21186.53628 154246.7885 36644.31309 20209.41576 21152.16176 19219.38964 17138.18695 20892.08621 27823.63064 21697.42624 11730.46186 18115.42634 13940.81584 1878.878113 6527.259369 6778.948 6273.539787 5847.397731 7288.84984 41351.35578 4371.770215 11336.71648 12903.37392 16971.38364 27293.65569 22475.12733 14531.02101 23087.74188 8815.532737 15269.90995 41750.25152 22085.92311 37026.28078 14982.39312 11092.56961 13715.67922 34798.34118 4771.767272 17363.86574 Resolvin D5 20872.23316 15248.94836 13512.56938 11267.76512 9783.323213 18351.80293 23124.34055 10477.53814 11946.0743 3861.723411 2139.441292 442.9786942 4470.865976 420.9123492 2447.985249 0.055655217 2768.093368 236.0659579 26780.5229 25097.25194 19046.20851 21523.77272 23498.38111 27840.51941 17445.12908 21587.66982 20191.77984 1902.977122 2370.040813 658.9663788 3267.519431 2791.792246 1545.91712 2711.21511 189.9785318 205.2144032 19128.83469 25188.03191 20662.27286 19367.24874 24390.21718 19661.57567 25405.57475 22261.75844 24448.19753 18742.39388 17454.93465 21842.97018 13802.64944 11933.6036 2806.750951 21635.60334 5342.213151 16941.5898 3-Methylbutyl dodecanoate 10615.03034 9630.825095 9938.061897 9575.259213 8750.458883 7118.271946 8043.184971 9802.102006 8933.627727 6092.775601 6056.965431 4705.152509 5583.206607 5232.870614 4046.204063 8215.804103 5050.739178 6698.440686 6142.15203 5995.771517 5565.768093 5138.632694 5452.737165 5451.9354 7751.565433 7335.909171 7113.430504 5963.214155 5524.625738 6037.500674 6321.99004 5873.472447 6399.077682 6122.119553 7682.282542 6925.097136 8012.870892 5730.635574 6338.719048 5458.011486 5848.186536 6628.340631 6506.53284 7924.439395 6349.96816 6881.654679 7060.53525 6025.408565 7660.829426 8130.901245 5371.555474 6383.086188 6652.378801 7962.231113 Sphingosine 1-phosphate (d19:1-P) 1959.215464 337.4353339 2365.38533 1842.599676 793.8450478 2310.685767 525.382069 2582.170331 2193.561433 6426.328791 869.2187934 186.6417485 7583.562149 1001.948339 4427.555972 933.0546862 2108.512708 3071.757286 7480.712119 4088.5367 4480.802573 5413.427896 5158.89374 7051.049316 5016.198007 3229.486764 6300.108914 2562.895479 1005.351772 2404.015761 3834.856446 2557.342743 1800.495476 2235.918879 3214.857222 2780.566342 3281.312127 3345.867047 3113.698891 4711.185856 6967.401519 5854.464969 5908.511488 3543.802344 4525.625346 3818.527034 1963.332791 3650.720368 2755.047393 1194.933045 3701.755524 2356.604375 5270.876307 1627.347003 PS(22:2(13Z,16Z)/0:0) 106.8449823 4.07813e-08 1.996617164 47.58503921 36.3673442 4.07813e-08 12.8408804 6.54293078 4.07813e-08 4.07813e-08 4.07813e-08 1012.438863 4.07813e-08 4.07813e-08 1485.294054 920.8244992 16507.11363 4628.406718 80.54887167 8.028292804 4.07813e-08 5.882767695 4.07813e-08 4.07813e-08 5.236344456 1.166438174 4.07813e-08 769.7095257 1610.77869 208.1791114 3904.853037 4.07813e-08 4.07813e-08 1906.00023 1885.09231 354.7891718 4.07813e-08 0.962651841 4.07813e-08 4.715403634 124.629329 32.28004686 2.775328616 4.07813e-08 4.07813e-08 20.15502463 0.06369908 3.401704219 6.409564664 4.07813e-08 202.7371212 14.45546054 414.427625 41.60334397 Acutoside A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37109.23996 28645.38476 21741.16453 25240.69925 24536.88576 19865.19119 10449.66403 28087.33026 36047.58886 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14580.25568 20610.23564 26023.89786 18415.53206 25316.09197 15708.46102 13112.23295 15329.65497 17496.59364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.5751225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1048.352662 4.07813e-08 17537.37105 4.07813e-08 36807.04455 4.07813e-08 Protobassic acid 53557.21984 53019.89054 61718.14187 21471.04106 72137.14345 36616.81226 49905.64046 8069.800975 53465.85681 4.07813e-08 1139.915973 1938.047788 4.07813e-08 1158.375016 2473.267669 635.6124141 14513.92836 4692.36688 2993.641253 1537.833334 8108.448099 3330.71166 188.2109758 10.73473228 1058.088902 4.07813e-08 191.2981133 2548.342143 3162.027028 4.07813e-08 4868.107954 298.1032908 4.07813e-08 2714.102854 2830.830083 4.07813e-08 12803.80628 4.07813e-08 1154.290383 1859.350423 684.561425 1290.382093 4.07813e-08 4.07813e-08 4.07813e-08 1065.513949 2723.540099 2198.604811 2249.423908 2346.100908 1111.645409 1041.065502 339.6127853 4.07813e-08 8-iso-16-cyclohexyl-tetranor Prostaglandin E2 2430.316459 1792.789409 3703.307816 1298.149008 1391.526713 10886.9015 6628.017776 2546.133967 2540.147035 113.2557018 131.5466286 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8945.283528 18653.50269 11355.60703 8478.847378 11352.04538 22658.62859 6773.791659 3939.735304 2792.488809 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 110.0698605 4.07813e-08 4.07813e-08 4.07813e-08 189.8435801 2915.085548 5814.122854 4034.276787 6438.227113 15432.80587 5181.891786 15804.37004 2062.035527 4164.109938 19677.55025 5230.037831 13874.62347 2103.420877 1956.005776 101.8798438 7480.27206 4.07813e-08 5850.997311 4Z,7Z,10Z,13Z-hexadecatetraenoic acid 1580.963914 1707.307375 2964.769115 1672.13636 1239.667046 6882.561132 3707.066892 2717.472221 4862.979098 583.3117787 1193.30891 608.9421096 466.7294948 915.0053444 640.8467143 4156.86337 593.6761669 790.9213778 1775.8007 2383.742656 2592.708976 3769.749811 3202.477941 4042.075629 1833.742586 1640.58397 1682.78084 403.5521758 615.9134773 7761.332399 1546.707953 7041.183852 1924.607972 2135.493276 375.5535903 3483.3014 2960.86412 2400.463297 3300.27731 2044.007075 3258.407646 1915.137674 3747.172819 1520.071255 984.9337271 3481.723332 2868.08285 2942.550035 3777.704338 2828.726609 1665.77609 2791.591394 1497.826271 3045.81209 AVOCADENE 4544.286903 3831.973919 3556.219533 3313.054051 3763.722761 2885.096617 2675.324928 4309.040545 3864.800853 3090.502076 3223.046132 2539.616649 2322.30844 2841.027331 1935.721394 4291.041514 3951.365409 3670.646657 2875.592745 2372.229471 2367.361074 2505.025917 1853.869735 2411.625408 2558.347118 3207.184281 2861.755214 2730.061433 2808.894708 3583.675883 2803.60135 2680.236435 2899.867258 2472.038387 3461.369759 5252.75366 3153.515589 2213.831454 3074.155115 1772.511703 1996.938582 2320.622448 2868.078002 3157.638189 2604.2534 2832.829457 2564.14259 2713.979043 2718.22678 2716.830601 2287.043474 3323.215108 3479.015207 3080.043299 Muricatacin 15948.49945 14113.38283 14873.97143 14476.73049 13592.62999 11888.8678 10989.54869 12291.0632 14259.94175 9486.633761 8801.20044 8910.821185 9419.718875 8715.118671 7810.575889 11283.26608 8161.927705 10209.38426 7153.450258 7041.835243 8455.515426 6791.690129 6521.237666 6733.486213 9140.363145 11659.30632 10882.89374 8865.332948 9777.578434 11235.16047 11250.86581 8975.927466 9835.699414 9164.615792 10194.36719 11105.50705 11323.65079 9603.645477 9442.839002 6983.720126 5853.921792 9609.344954 6372.017706 12020.77802 10539.52801 7696.40472 9439.563767 7099.356504 9976.57782 10275.496 8073.258352 9812.700114 11965.61729 13159.53467 12-Ketoporrigenin 1286.333493 495.0093039 186.0486763 256.3557766 472.1211638 8168.413836 296.5319219 4.07813e-08 4.07813e-08 1027.699275 1348.661031 4049.594067 757.8734225 13129.9292 5954.974892 2929.20717 4179.074409 2761.359266 5211.427668 4.07813e-08 209.6967268 500.2660134 4.07813e-08 7860.055913 4.07813e-08 4.07813e-08 641.3736015 2410.287951 837.4601756 283.358709 1566.656028 208.8145769 703.6719889 1839.039223 3719.282683 96.87895195 14898.59699 4.07813e-08 0.427314415 466.7878049 223.9173565 4.07813e-08 4668.901387 4.07813e-08 4.07813e-08 4.07813e-08 310.043114 4.07813e-08 4.07813e-08 0.217094102 893.049137 175.8255431 4.07813e-08 1865.292762 Di-2-propenyl disulfide, 9CI 13602.15686 12754.47659 15065.67041 13906.93401 12791.19175 10582.41201 10409.60849 11858.33815 12820.81182 10042.36818 6186.511835 6261.194217 8603.114348 10067.61761 7223.165738 12437.22996 8621.952662 10968.7294 7432.835528 7400.003076 8338.615457 10979.92466 9910.991054 9725.3176 12934.8776 11896.05487 10419.09779 8807.077839 7622.056351 9833.503886 10023.85988 8245.146124 10235.31249 7455.10702 8695.790995 12217.26696 9612.134082 7035.287361 9474.558539 7409.46537 11576.11956 10999.83475 8871.319896 14000.96077 10557.89088 10475.44796 8817.57642 8716.798062 11384.18348 10724.09523 10259.01215 9974.477623 8971.080801 12481.83564 Alanyl-Arginine 15294.15075 27726.49473 6524.140644 27722.06055 5814.068975 9940.475179 19624.34283 26441.43328 29137.16177 10165.96223 6460.248957 8195.143062 9387.423367 5926.47676 10959.59576 7129.081326 6813.492321 10146.2453 7789.40057 6942.882289 16189.94217 6143.585219 9495.764591 9067.045013 9370.814215 4.07813e-08 1597.039881 11210.9418 6914.421034 10197.19026 7303.278768 11761.97041 4316.617834 9306.505748 9049.588063 6583.938762 3001.040143 7216.765728 15843.18223 20145.96171 1731.733298 4481.277225 8622.88068 772.4409677 2080.516952 643.1913591 9214.027814 5061.275188 20412.15307 25394.87888 10189.52509 5894.430141 8758.245156 3000.573202 Wyeronic acid 11000.324 11437.71592 5463.474455 6425.279726 2077.578989 4246.428993 3396.342836 7541.445519 9079.454184 119783.9265 122013.0432 92526.4981 127958.7322 94390.10851 89018.84447 102908.801 121181.6976 122155.734 3356.297982 796.7893411 2057.804674 2307.383685 1235.877046 1682.130674 2204.7201 2338.258545 1523.245811 109709.2274 108777.1721 170055.4246 72216.51073 166422.5339 98987.13178 82205.69217 75581.36635 129702.273 7885.414346 2202.164239 4.07813e-08 934.7067978 1162.218644 967.7656229 1145.65726 2658.574073 2149.824789 2178.253411 9717.83769 5519.546436 7819.661973 13486.54904 125203.0502 3409.653917 125737.3569 4239.027485 Falimint 25079.97817 16040.3879 25901.83791 46890.49567 34523.45056 13671.16972 20607.16923 8045.850444 12947.14674 3905.607173 10408.19367 23476.89148 7454.866513 20752.97385 11701.27525 12432.84937 3903.780241 2365.418197 41267.61113 38988.27266 22273.03216 24769.13357 31511.72121 26760.69683 33877.53992 25119.65434 23174.25355 12052.3466 14538.22407 24305.26315 12151.94974 28637.26628 22384.66639 17996.00134 11711.06001 18227.20882 49828.80425 47973.23301 29121.58164 45988.53231 19541.58906 39011.77648 21730.56397 25490.94625 20903.12132 9554.67344 27980.03298 23851.98953 26567.77445 33441.66132 21145.54436 37994.58923 15140.59977 24937.45299 Nicotinamide riboside 15579.66596 13334.4269 14403.43465 21259.01252 25154.69674 24714.06095 18515.10101 16082.30481 14416.80979 4.07813e-08 5940.929383 3613.199864 1464.974554 7067.378712 773.0735288 1115.314192 15440.71426 1772.644196 23912.21741 21710.49185 22659.1429 22820.84411 47984.34931 29252.40386 21641.37946 32532.33344 37049.94731 2864.157508 8961.524827 32762.6844 1138.147858 25512.57209 6858.725424 914.2288347 11807.47518 12460.14775 12775.36028 25649.57541 29441.65885 35186.32404 30136.4489 28132.92719 24744.02513 35579.85033 18667.2588 14787.72856 13144.01467 22771.42068 16605.64491 20163.52927 5632.165234 14185.07232 6493.693646 15576.04503 Imazethapyr 611.8834452 3377.031324 3979.690692 7617.365824 7345.542753 7047.64595 6397.250378 7157.917901 4.07813e-08 105549.0907 70376.1297 76347.17027 91174.75735 88655.81103 82847.94267 50541.64239 25208.18017 26470.34832 2361.362405 2147.373245 3932.058489 5964.360565 13924.31914 3939.230064 2608.021327 4.07813e-08 4551.049762 67522.77815 67104.9144 67031.47822 51461.57165 126896.9574 74682.75465 81946.02422 47984.26316 40445.11725 3403.233891 3419.207939 6942.520174 5432.195468 3785.252907 6133.737304 4296.914307 2060.00231 1523.914222 1372.33632 722.87295 561.2566967 9139.200588 14443.9086 78531.18206 4472.579972 66705.61249 9766.036974 1-O-Galloylglycerol 9511.789572 15510.42145 23934.99458 30206.89864 37509.96252 21540.81152 17949.79378 10629.48076 5165.944159 1225.431142 709.4868454 5719.232164 886.555474 9414.396369 347.700432 6149.574162 217.9642076 112.5989015 19777.18299 15841.55408 17793.04885 13221.71951 20288.93692 14707.59974 12941.63169 14019.07286 21670.82854 91.12887786 281.2165985 4975.502493 803.9583914 1151.201576 4711.653221 723.7523114 2841.152724 2788.614268 9407.617922 20601.72339 17587.45187 21251.17354 22290.58141 26367.20054 17648.6304 19729.0968 13422.17784 21692.93921 22321.96961 25754.04737 34100.79152 26650.72059 1784.806158 40848.12197 1145.769123 35612.34034 N-Acetyllactosamine 63448.415 237116.1943 61465.7407 116520.6842 100527.3788 72299.70403 203219.7356 171471.5774 89815.7247 54044.49457 49638.59896 45105.36594 56425.22137 29715.63735 42358.29324 50378.37449 24086.78915 20277.23361 53161.46758 35709.81298 59857.75594 41540.24393 47824.03339 39289.08606 54273.07984 67967.68467 71428.65311 29477.15312 43757.1026 42959.12936 46213.74244 45474.01198 86865.62666 51527.09835 37773.91892 37231.42407 83518.7521 51260.97559 100087.5537 47726.32682 60400.94363 46983.74304 38040.38042 118039.006 25933.4307 187308.8432 108356.4105 53754.13263 283829.9171 176874.3909 44817.45972 100025.6467 47269.72211 83654.40954 2-Aminobenzenesulfonate 1674.402044 6178.793532 3827.027238 5536.624526 2914.487078 6387.52166 4.07813e-08 588.9995462 4.07813e-08 1927.906139 2134.741902 1684.539399 1799.611773 1149.974969 1649.156967 818.4487704 4.07813e-08 405.2643563 9718.915644 581.7799115 4.07813e-08 2305.312032 4.07813e-08 5274.855027 354.9176084 13488.18999 1175.700838 4.07813e-08 2852.367376 844.1680083 1173.314469 355.9447102 2254.687986 1632.085825 280.6693713 1124.801382 4844.696688 1400.445306 849.1261653 238.9927752 1742.182642 4.07813e-08 4844.512194 10571.47947 8849.304664 3861.765554 4.07813e-08 1878.288642 3155.912981 1998.920954 2723.972863 451.3666984 908.5047322 4.07813e-08 2-(3-pyridyl)-Benzimidazole 2029.721271 801.1208051 408.6074175 1221.477866 3367.156883 1508.305416 1262.388824 1127.429393 4.07813e-08 10405.52985 20791.71953 4724.869648 13665.78728 6783.753005 7658.924845 8822.635408 14700.07176 27594.17666 1305.642318 1995.177291 2001.84937 1864.139949 2098.949211 1134.622156 2021.232386 2339.040763 385.9521529 13349.62448 10354.36949 16963.81016 11691.15411 20344.81854 21818.50919 21846.11698 24408.95313 26324.28593 2074.687197 1721.022977 968.0497358 2222.993205 2239.712077 1411.738982 2068.186183 2043.310272 3124.395583 942.7603383 2045.207715 1135.7516 2248.14933 4.07813e-08 12468.09161 3280.57714 10165.07984 3014.135963 4-Hydroxybenzenesulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 460.0712239 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6311.255893 5614.235787 6334.469375 6095.542286 5697.040153 5321.578067 16713.10566 11211.7708 6617.401068 4.07813e-08 123.6800239 122.5283813 4.07813e-08 107.465464 113.8486937 4.07813e-08 4.07813e-08 4.07813e-08 11693.9574 4861.337823 12339.02687 4896.775033 10636.03605 7251.133149 5406.558923 10733.65032 7235.731689 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51.14618221 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7769.034398 4.07813e-08 5926.045061 4.07813e-08 Pirimicarb 12685.62449 14190.604 12721.17877 16131.20442 17118.26815 15965.41497 7615.795624 9470.40631 6367.327493 5544.464824 6265.873473 8971.834026 7101.824323 7521.598765 3392.400151 6316.366016 2696.75546 3423.574159 13340.92779 11362.41441 12560.58114 8781.766365 14667.44179 9775.433089 13636.20515 10595.11281 9681.276197 2620.435034 6022.261271 2974.458273 5054.980215 7377.996759 10479.47474 7368.930768 4483.013437 5278.349756 8176.806324 14132.36112 9815.360284 13933.22991 7029.043395 11400.95763 14187.22178 6054.18491 22371.64222 9197.800843 11470.50589 6439.226554 11157.35914 3663.236036 10023.61827 7515.188999 6379.992299 15267.35854 Isosorbide-2-glucuronide 5673.02196 7853.762901 3857.815226 4382.378231 6523.118097 2673.352772 3542.114017 4247.801141 1070.132885 8899.096297 18739.94964 20035.89936 13611.10644 24310.03893 12629.83807 25276.57415 22684.49759 14323.96044 1667.488677 363.3929866 1420.187911 4.07813e-08 908.342943 962.0040274 642.2364339 10437.54237 4.07813e-08 5995.183072 10183.65646 32676.67267 9154.424676 16392.75158 20330.66319 8796.081209 17896.43784 21050.33828 9931.9888 4629.315442 1305.991739 4.07813e-08 4.07813e-08 3601.404124 2015.921706 9213.740143 12807.29968 4.07813e-08 1694.731584 779.4003839 1292.664085 4.07813e-08 14859.01111 1093.299915 11336.98548 3377.707015 4-heptanoyl butyric acid 2252.305992 3581.365981 3145.102771 2962.358263 3873.614547 2121.772311 1714.596139 2529.353945 2609.637369 2273.911497 2068.992266 2138.487892 1868.029622 2080.900432 1446.537585 2982.2663 1939.437434 2230.279649 1485.930459 1989.455371 1680.446073 1843.076185 1322.959775 1419.677266 2256.093669 2612.20011 1955.390624 1970.423235 1688.984329 2495.560298 1877.622526 1680.547902 2180.746351 1874.472451 2129.3668 2551.924046 2036.716877 1793.432522 1458.18719 988.9329115 1974.684492 2112.240497 2058.431083 2506.692118 2480.913219 1382.910238 1773.945893 1340.257808 2458.054902 1581.095398 1841.138154 1771.41189 2126.236993 2573.581647 Dibenzo[a,h]pyrene 6917.452768 18987.53796 11562.76331 7631.858885 6705.696295 8648.911841 6106.882308 6670.686055 10915.11711 26837.93179 23687.03323 16587.29675 28500.69583 16486.17422 19767.03881 11355.42202 20957.44909 17569.01169 2893.632231 5330.850548 6302.684846 3519.898799 3953.346179 3380.609759 5763.225304 5277.682176 4069.603539 20680.84495 22671.9078 23665.61176 16514.36767 28873.18891 24581.41431 22552.57065 13437.11871 19593.46453 4871.288314 4013.062509 4014.651422 4959.344343 2320.988725 6650.342812 1862.401868 5877.74415 1330.944682 7777.260984 10045.37811 4204.744395 19239.60863 134362.3443 28044.275 9781.378597 27154.72877 6360.112548 Tfa-VAL-TYR-VAL-OH 3684.817631 9205.523522 1477.032615 6073.217728 1875.933856 3684.503117 4.07813e-08 5059.879605 3928.925857 56362.40471 45339.16734 40549.04335 50431.72507 34203.26215 40698.3368 20593.05473 23574.18729 32206.6232 4.07813e-08 4.07813e-08 4.07813e-08 273.7260092 4.07813e-08 4.07813e-08 791.5954659 5530.708401 4.07813e-08 33432.32997 39157.0058 41625.96568 31999.34223 46388.53291 30913.88111 34931.06643 23141.12775 30969.31081 9286.040748 4.07813e-08 1679.633333 4.07813e-08 4.07813e-08 4.07813e-08 343.1912398 9640.849321 4.07813e-08 4.07813e-08 4.07813e-08 278.867767 1542.584985 4924.822328 47210.80379 3502.083999 40649.85213 5328.92712 2-Methoxymethcathinone 2958.25743 2706.387866 2779.882073 3279.703454 4153.873023 3399.137983 2942.89857 2304.682935 1995.788781 2369.691406 1974.738422 1380.536396 2853.998442 744.3138305 1948.090398 360.4199713 1266.926815 2441.958927 8642.556108 5707.300162 7043.083879 5214.829296 7836.635293 5861.749424 5232.570451 8590.085927 6964.923165 1821.890136 2080.659196 1191.203097 1569.559789 2660.036323 1184.320319 2512.22635 896.972849 519.2885138 3864.19805 5106.688735 5084.275607 6319.915525 5327.48489 6192.932166 4482.560923 8230.023556 8962.853152 7659.997625 4118.763029 4449.350784 3813.71731 3451.736589 2280.062987 2943.866817 2603.822604 3882.274193 N-Succinyl-L-glutamate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2746.80831 2722.575044 2954.325013 2229.495224 2322.522514 1553.875169 1850.728776 423.3590075 1464.700765 186.2948583 1105.385476 4.07813e-08 4.07813e-08 557.3884432 9.657894324 139.7691895 4.07813e-08 130.8675716 2773.239117 2327.486772 5372.64173 1028.19315 5129.48863 4403.916146 5564.440206 464.6415529 4653.646965 164.1697318 4.07813e-08 6.286067003 4.07813e-08 4.07813e-08 280.5199301 4.07813e-08 4.07813e-08 4.07813e-08 241.9816602 120.8677553 4.07813e-08 4.07813e-08 164.9581577 4533.164721 247.3981158 5794.833727 4.07813e-08 Dinex 20608.33422 22706.13908 17431.2577 22921.0653 21632.31539 17854.5262 16175.08577 18986.40429 14421.40893 6379.814631 5528.730942 6000.032152 9139.462033 6482.593832 7177.347814 2084.100445 6976.972848 5347.764262 26657.96151 30402.93173 24273.89111 24627.22167 28808.41735 25489.01558 24673.84029 42209.30258 31507.96244 8969.504506 8162.148323 8836.728988 6870.215044 14514.15187 10385.70852 13061.936 4095.717288 8483.154878 30666.92525 28137.2727 24766.8803 24941.79786 24448.91166 22046.86628 24115.7413 43277.8822 33599.04393 24668.12003 19159.31368 16474.78916 18823.70076 19521.7904 15373.52493 18965.01404 8384.901343 23420.3592 2-Propionyl-2-thiazoline 1097.887215 1804.244784 454.2688686 963.7712879 249.1665577 449.5380904 1408.905431 1541.224736 2787.609831 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50.87423368 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.21643243 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 223.9857609 45.97632171 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 83.40249933 97.37521016 4.297982199 4.07813e-08 4.07813e-08 128.415581 4.07813e-08 4.07813e-08 4.07813e-08 56.3410418 4.07813e-08 4.07813e-08 4.07813e-08 323.185667 140.3552809 432.8095588 989.9324766 4.07813e-08 285.5418809 4.07813e-08 171.2878745 Saccharocin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8158.793133 10920.27931 12517.3903 10869.98848 17864.70126 12563.98371 5205.252724 22626.69604 16670.04673 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18676.77015 13519.60507 14423.15374 8791.984107 29420.02882 7711.443056 6564.733908 15498.33332 17506.97694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12962.30294 4.07813e-08 1808.827228 4.07813e-08 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 1008.374406 1113.189763 1227.89104 1405.952888 918.670342 273.3516544 890.3827659 447.3276271 455.6421248 1732.098492 1136.069154 973.6218885 1525.261856 813.3468138 792.8276548 55.40541849 154.4069802 915.1564218 720.4212072 1257.063974 1176.700703 1592.878201 1596.463187 1493.400803 1758.360302 393.2860208 973.8483743 966.8214882 917.6974646 1111.934112 980.1598108 1579.732715 1364.183411 1214.937892 136.385254 342.0285867 996.3549592 948.7617245 541.9857938 1391.370547 1055.685514 1551.045816 1140.076454 1650.707931 1170.10858 649.7452208 294.5599561 379.8335519 354.9149119 688.040627 1553.857142 608.3169152 1132.783048 1015.312635 Metalaxyl-M 2404.703836 2516.637477 2149.546175 1584.610091 2780.101853 2028.362992 4801.263751 3646.139377 2331.141971 836.0901655 759.580064 495.2940977 927.7504979 1043.727088 482.2104239 393.1699382 1686.546508 3481.429512 4714.234119 9588.190492 2860.42478 5449.033922 12241.74734 19391.12994 9984.477371 7110.605809 11701.56724 4.07813e-08 661.5808879 1329.632255 506.3185462 388.8044734 244.1547536 683.7026964 1101.889453 543.2306772 3983.135713 4998.237319 2424.794737 5230.368267 7513.74937 6783.570316 16464.98374 7127.101871 9574.157837 10907.81733 5414.058796 3530.333166 2154.410187 2140.708646 887.726548 3237.544286 190.2181444 9657.056963 (1H-Indol-4-yl)-Carbamic Acid tert-butyl ester 4114.616606 6277.902718 8568.747108 11685.74641 11281.70043 7738.151385 8805.267366 5011.216688 2763.864694 5098.180953 5660.575031 6887.779659 5491.449904 5096.7875 2941.322241 4523.800431 1702.636033 4439.972924 8803.264203 8049.781903 8859.338409 8557.536975 10805.45921 8195.954256 8961.376062 8549.860689 11331.40989 2942.659427 5593.831196 8289.986305 4612.030602 6767.89461 5063.314603 4765.380753 3245.899401 5472.902046 7657.212307 8457.173564 6832.525793 9295.500917 7352.695683 10771.42667 7584.507846 10364.00224 9582.018412 9251.051645 7328.964747 6706.010169 5925.953058 5785.936367 5164.488265 6691.99662 6191.614665 8235.361671 N-Acetylprocainamide 2804.381463 2705.917115 654.3643338 1311.924672 1577.256376 1878.274495 1791.478157 2431.546151 2058.785497 370.0197078 895.8601091 818.4403561 970.9682448 439.4150858 550.6634687 4.07813e-08 4.07813e-08 294.937043 2415.516957 1855.414521 2043.555705 1862.916078 1732.708712 2930.54885 1588.751086 2178.379722 2314.334161 623.9446232 993.1554972 666.3691673 926.0440242 1208.834926 815.1295506 1466.443664 4.07813e-08 4.07813e-08 2640.451639 3257.6936 3415.622575 1751.227715 1310.553355 1647.166171 1845.324913 1917.201797 1509.530979 1230.02691 1643.184336 2289.425083 1794.683211 2170.675886 1286.566199 2314.29316 422.3188595 2215.436397 (4-Hydroxybenzoyl)choline 5478.60254 4547.821638 3780.198415 1186.535898 1410.66283 4135.762121 3053.550822 3354.030015 3738.423827 2493.210225 1467.233847 333.5068324 2609.897773 166.2786953 878.3566979 13.83706242 326.4508112 792.7437777 13353.80161 12301.3124 11692.94796 9715.799269 12156.19417 11865.15556 10269.3141 16689.62764 14158.78305 2494.531229 2248.221775 249.2457635 2194.760394 3707.308379 1523.507837 3783.344638 195.6668664 135.9079449 9182.00951 11019.35689 8839.860328 10945.55148 10575.34904 11146.49329 11667.52579 14128.7297 17369.32682 8041.177677 6801.33007 8756.079629 7298.310182 5987.129768 4060.701857 8106.856564 3063.540946 8909.254343 PA(12:0/0:0) 1680.976321 7501.464758 1529.912842 1387.27737 954.033238 2915.459879 2397.864366 6994.975319 10115.86594 12133.04996 8548.600482 6024.274697 11134.67392 4371.820277 6189.174542 5317.292652 5289.353936 9776.650226 4.07813e-08 259.1128058 145.4206524 50.22917453 39.08330665 149.6264885 142.3505901 4.07813e-08 191.8077337 9453.730397 5819.185663 5726.711238 5727.450864 5993.94337 4925.628467 6478.480128 7431.362464 6987.074812 25.80596774 4.07813e-08 56.70130591 93.1034607 3.006037051 64.20401161 4.07813e-08 3.638603619 61.95306987 172.209985 3479.162905 1357.23774 2330.224835 6820.783046 4558.396691 2366.704979 3304.76031 673.4000207 AM2201 7-hydroxyindole metabolite 1242.418769 4632.419542 2534.34319 3437.37176 3502.44561 990.3890235 1357.152183 4357.822858 5768.119558 10003.35063 9160.931109 5204.051006 11646.50077 6751.057171 8316.521211 7011.816726 8797.114825 7191.181425 9.077222677 4.07813e-08 517.1535443 3.195742275 347.9418941 739.8334283 386.0784977 4.07813e-08 8.949067523 7602.949744 6741.697768 9450.232659 7217.780922 10714.98992 8770.875058 10156.08563 4734.17762 11616.70491 11.58587842 137.0288378 487.3472157 739.2127507 374.2082369 1301.861252 162.1541873 18.06587533 136.5416754 376.6505993 1822.966469 1202.471704 3248.909925 8524.827859 12548.95426 3657.11433 9416.708057 1772.475974 2-hydroxymexiletine 1614.094348 1491.988019 1925.520521 1575.349973 1348.818617 1119.312868 1281.60893 1707.684102 1358.740483 552.4532885 759.1204672 544.5497443 411.4095852 670.3921979 394.9213324 625.7364009 396.3334511 466.3070736 1658.462708 1346.139078 1398.446095 1473.865994 1643.17525 1475.086945 1520.343904 1678.429735 1582.386688 537.4755114 523.6196914 694.3694387 468.2122582 779.1655352 603.2225622 551.0462955 447.5643602 741.0829498 1075.554082 1506.505088 1442.915401 1534.683168 1363.725794 1686.351889 1445.455273 2152.897894 2167.269407 1589.809307 1608.198914 1412.581953 1552.009006 1460.083101 705.8238029 1614.556017 776.4200092 1657.951493 (2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid 5337.594607 3832.902405 5911.521122 5315.816697 5721.794855 4590.827397 6416.658395 5021.436277 4367.521138 351.3936864 378.1567976 120.1666187 448.248572 221.2792816 152.8140831 4.07813e-08 4.07813e-08 396.8668013 11895.18364 10213.84633 8519.66764 9943.236191 10932.53984 11822.47391 10304.19523 13299.69186 14187.92981 560.108168 336.5844187 69.84683484 598.3293323 330.2437118 311.5738857 410.7826015 90.92591278 159.0034765 9230.32946 9008.406766 7050.294358 8818.447887 10959.64892 10536.28819 9085.899707 13254.66618 14850.53718 10226.18945 8176.407891 7256.282761 6692.919017 5085.413952 668.7538795 7469.176927 476.5681513 7098.507168 N'-Hydroxyneosaxitoxin 819.0088755 469.1785396 4.789235209 0.065387912 17.60243706 4.07813e-08 174.2539958 1004.974732 1745.746581 3406.362035 4179.348264 2166.509832 2605.984908 1593.29042 1970.756034 1226.151722 1058.111944 3430.979917 4.07813e-08 4.07813e-08 291.0121679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2626.793418 2248.36033 3196.367526 2815.304717 3643.834135 1279.292354 1227.563725 283.6118257 1799.964492 4.07813e-08 4.07813e-08 204.7480514 0.003211585 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 290.5971562 120.3645452 0.411940987 1149.697465 2409.223358 4.07813e-08 7377.673627 4.07813e-08 Nalidixic acid glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 195.4626698 4.07813e-08 4.07813e-08 11796.40361 11094.6193 7976.862692 13341.4885 5711.165198 5914.437398 5282.552671 5318.335167 8888.622818 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5391.243875 6917.262419 12739.24259 4842.528736 12189.87259 4486.471638 6638.692745 2367.730818 8716.681168 50.9060341 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.80256845 4.07813e-08 49.3095774 11145.41061 4.07813e-08 8153.304048 4.07813e-08 2-Phenylpropionaldehyde dimethyl acetal 4127.504229 4605.594174 5345.967976 4305.359201 5133.933529 8922.017195 6585.411158 7018.908893 6607.14367 1587.739033 1561.231563 1429.529524 1583.053929 1598.355393 1513.240694 1834.462638 1745.643433 1817.603454 4585.588532 9383.318634 6738.298051 7447.327486 6793.552544 8602.836852 6342.066647 3805.711326 2465.576939 1529.829516 1732.146696 1415.433567 1927.039861 1411.292208 1436.376083 1738.125869 1607.272476 1936.270376 4983.133726 5269.415622 5168.440196 5380.268617 10366.18965 4062.067536 7233.912678 3917.911794 2261.168468 14040.3311 8351.958539 10866.164 5974.634297 5206.770624 3859.144092 8593.48997 2148.256388 5913.349758 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one 2483.449311 3191.857186 6364.04167 4470.18 5799.921674 12857.51491 8520.304023 7662.191176 7142.960914 329.5648689 93.38809041 462.1459845 252.0359081 443.0594974 470.2223599 451.0611933 597.7695244 436.5423237 5168.950885 14891.44471 10558.86967 10521.03253 9860.892911 13178.98319 8436.119397 4341.121776 1377.339353 391.3453324 348.0553222 293.2508424 237.9925286 187.7512452 152.5837188 667.4925151 559.4991142 434.2413613 6081.18669 5492.457995 6296.432546 8596.804112 12254.05296 4794.906794 11160.17674 3750.903025 798.6061824 17700.76975 11221.60185 14375.58151 6323.476095 5856.786752 3710.998942 9975.215781 913.2903721 6662.8044 9S-HpODE 16506.4598 16908.03847 34404.76521 25187.58476 35612.10079 33179.73209 21766.94528 15699.01878 18148.64199 12566.36465 10522.60378 8786.843261 11905.58303 9950.939719 14375.10951 16352.07712 11759.86852 8839.966777 22808.17006 25287.2179 31000.13064 27009.36417 28799.01398 28381.01251 20574.34202 25629.23776 19444.77819 6669.835222 7164.5402 9325.340949 8864.077387 7538.81929 10244.22914 10256.07048 13551.72435 9708.065907 18536.31592 22215.37881 20026.16743 21723.01535 25335.92984 25454.59253 25760.19613 21854.08267 23649.50288 19011.50221 18248.18731 22404.43651 15451.94504 13866.37687 8051.907298 20923.70121 11256.69784 19799.63744 11-Oxooctadecanoic acid 2221.723733 2936.580996 2935.92534 2304.03952 2779.687132 2580.851987 3271.539985 2635.850663 2414.600165 2020.096847 1790.325484 1652.377734 1895.967121 2157.349929 2163.365963 806.111508 660.9527738 2166.285328 1915.488581 2304.932933 2082.398965 2424.968047 2404.175705 2367.109821 1618.127682 2220.748905 1230.130689 1551.283489 2184.225826 2645.85198 2315.28393 2088.674363 1313.189617 1604.252998 2881.079295 2763.257711 1992.795017 1895.393065 2327.612173 1975.711279 1364.939681 2011.993608 1850.372645 2915.891559 1639.356737 2915.135305 2410.950071 2228.219168 1862.211273 2522.011359 1473.966199 2021.123075 2236.936273 2301.539319 Secbumeton 279.0453765 1186.803714 2740.374664 2842.202523 4172.36829 6147.726502 3481.812059 3075.398518 3174.997415 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5024.645533 2786.72632 4517.349535 2278.58046 3936.948995 3673.493447 2927.560867 1159.054068 436.6956844 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3530.225321 781.3962224 3414.106417 3347.526392 2581.213486 2304.922909 2283.036026 800.674117 365.2646666 12365.46969 6378.803087 4804.732225 2633.719656 861.3565698 1375.000168 5717.959017 175.969007 4293.391895 MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) 3119.216946 4364.860458 8335.616421 10469.46577 8539.373791 13217.90956 10501.22184 4321.692906 8665.674831 7044.514085 3395.444299 16217.89876 6754.80147 13505.31928 22084.39736 15716.88726 52336.38461 44932.35802 8860.866082 8680.094426 8092.964003 15651.0954 7356.85531 16578.68741 8177.193091 4762.292114 6433.470502 4862.52968 10088.28908 10063.18277 18971.53493 8567.772179 6267.572998 13098.6552 12726.3278 11751.47933 8891.743574 8291.382334 7232.250455 10462.92597 16669.10464 6764.78976 13034.25649 3407.867951 4282.226576 11602.92457 10899.87486 12552.94554 6073.080501 3320.291303 11484.35578 12952.35488 8179.923808 4734.020016 2,6-Diisopropylhydroquinone 2398.917091 2559.276439 2360.799724 2141.592918 2437.014216 2012.102038 1890.282906 2088.968714 1706.718635 1200.736102 1462.216541 1130.291517 1326.442004 1467.357852 1304.224449 2311.825792 857.96583 1603.513234 1351.391913 1620.784916 1193.28974 1430.662959 1526.08884 1815.868774 1492.949285 1683.87997 1752.390179 1261.148551 1610.183865 1427.994892 1660.05924 1260.444115 1569.750692 1314.817059 1607.171503 1356.295703 1875.208063 1811.204461 1169.514419 1481.797195 1331.807838 1268.544421 1453.489134 1720.038399 1471.426715 1718.864187 1198.610299 1671.519125 1586.623586 1318.836694 1166.302612 1831.97893 1620.913887 1840.122252 N-oleoyl threonine 1434.812532 918.1422181 552.3689156 1227.088423 1787.28838 2848.705256 2964.258502 993.8110078 366.4503714 801.328952 2899.148344 1055.086127 932.4940002 8811.782627 5765.964158 2896.281442 7638.591287 6295.186086 1099.227795 803.3583005 812.6314566 1990.833585 1803.338366 1878.438941 616.168842 1940.868544 1298.209289 1695.744717 1966.177542 2087.496006 4235.444874 6929.223535 939.706367 2651.132565 2472.007181 2585.773039 2540.489771 1864.018325 561.9000998 1046.121829 1594.946127 375.0613822 1435.426858 2225.350176 686.1289156 4.07813e-08 1564.808604 1263.667195 657.275595 745.1609002 3758.42561 589.87486 2159.410532 801.5021039 Floionic acid 9491.799439 11678.19868 13524.14108 10901.33512 13686.72603 12290.88688 9184.795132 12310.78164 12234.68112 5291.58876 5188.560611 5327.216185 5308.199876 5273.447697 5524.407182 7042.384452 6415.063289 6619.113562 9819.451407 10089.49802 8183.54909 8094.374093 8211.574238 8271.006595 7867.1006 10209.25061 10122.70077 4603.329148 5628.781867 4887.429781 6079.336742 5528.468842 6051.609575 6070.022498 6769.210002 6788.761411 10703.24974 8464.521987 8154.316645 6692.445188 7400.456139 7529.317548 7643.52457 11037.10294 8630.569255 9801.107944 10696.48158 9846.931363 9668.259278 8625.164864 5474.972554 11336.84769 5793.897239 12701.44334 PGF2alpha-dihydroxypropanylamine 13388.80283 26613.6332 21115.96023 22108.03045 14950.86273 26844.10886 25195.93227 1072.616151 27600.2594 1971.094849 1927.668132 6144.59242 1731.4909 7333.85274 10246.31721 4007.267229 30637.85273 6226.182978 12930.25148 18188.74661 15371.38631 33291.79138 12598.61431 15826.05185 15147.82168 1273.690485 1893.820567 2401.945877 1078.729238 728.0353949 4575.428897 621.4972749 372.8210193 855.0347382 4411.690522 1700.408025 26832.23099 22231.26431 21531.97468 14683.57688 24465.94076 14165.91981 10435.08207 2013.795606 3056.744338 16358.71349 26818.04315 22869.58674 14717.66272 13633.13047 4637.655056 18225.49467 1595.556996 2941.434642 Dolicholide 2507.664894 8797.730098 9816.146307 4085.840164 2658.428352 12724.20246 10036.9695 2945.629394 2403.524722 6436.256071 4.07813e-08 13579.75514 9074.488712 22864.55064 28065.96407 1922.156022 2336.65936 14161.30034 2419.777398 3636.648665 16304.66434 13879.00108 4983.82315 2427.98291 6092.375146 1032.461371 4.07813e-08 4.07813e-08 12625.19397 239.4809053 14942.22872 1440.02274 4.07813e-08 10702.06831 330.5194019 3116.332175 12283.32542 3404.830167 13668.2563 6979.243627 2675.136956 4123.020607 1388.898027 436.6181656 228.2990424 6772.736407 9564.412058 13810.14356 9418.231567 4662.609097 7490.748183 8961.085317 2299.18324 2324.029728 Lucidone B 13128.67715 9240.08497 7578.219185 4777.18764 3912.05649 11759.23035 11309.84573 4220.94854 6133.306044 863.175302 135.0840995 131.1458342 750.1155509 250.8800888 127.5272124 4.07813e-08 4.07813e-08 958.3156849 15319.58159 13578.68142 11047.77839 12860.04457 14438.39604 15603.5337 10061.84663 11243.38389 13028.16176 4.07813e-08 4.07813e-08 4.07813e-08 262.8664483 4.07813e-08 4.07813e-08 1205.537893 4.07813e-08 4.07813e-08 8631.527387 11310.01434 8226.511139 12539.85021 12970.13804 10239.93913 13091.18031 10885.92843 13739.37761 10976.23985 9358.062171 10724.71639 6521.69705 4836.166613 2128.847883 10563.74759 370.2329129 8671.745687 avocadenyne acetate 1513.040452 503.8960103 1795.252248 2569.674833 4263.866852 2831.839483 1420.235436 2394.416771 2069.645846 335.4815897 771.6023194 4.07813e-08 415.4743833 4.07813e-08 319.8911828 4.07813e-08 266.8432171 120.3400978 8289.804037 4884.722651 2029.859553 3158.08379 4813.9989 3846.343771 2318.624427 15374.20869 5316.176624 44.61109241 82.55102044 48.41199311 131.6657366 144.8295352 251.6648416 4.07813e-08 190.070618 340.7558294 1651.04538 2793.397533 1439.195271 1893.183014 3494.052353 2774.928245 3068.254929 15232.91234 5487.540322 3181.815746 7496.758379 4059.254837 1257.974537 1092.541852 4.07813e-08 3341.615824 504.3121256 3642.548504 8-Ocimenyl acetate 343.2787122 463.6391145 469.6055423 722.326509 889.5739471 781.9350801 625.5802967 356.2152042 573.3419616 202.7849201 332.1962797 234.1613245 315.3401284 352.9271062 406.708624 406.8972945 225.3577498 120.4803782 425.2757924 919.6822369 615.4339881 660.4326702 485.5466799 365.8472944 196.7955286 554.6933531 394.0626431 174.2746508 244.7051982 226.3270573 214.3511091 252.0341389 264.052184 166.566807 286.8836832 271.7008694 459.0643866 390.443526 680.3369912 356.943469 660.7437205 170.1231762 274.0862059 220.0594789 597.590825 140.0936126 747.1230871 816.9791206 423.3155311 197.1469138 381.2072738 619.0092596 237.8757296 423.2373508 1,2-Dihydroxy-8-methylnaphthalene 1563.433516 1132.393266 1413.507791 1164.022926 1574.023727 1290.582018 812.0604555 1055.633979 883.7794468 1316.044473 1370.730964 1692.755837 1375.419966 1227.197576 1297.401865 1517.101103 856.27826 1096.150329 845.9927028 1157.076345 768.5748066 1009.297077 572.8667626 1340.257583 993.9849418 858.066282 827.6893508 1413.697396 1834.491019 1694.034976 1639.086025 1424.542361 1569.524761 1106.732641 1193.151598 1571.804172 1250.534394 982.9457232 1023.905449 1034.722543 710.1878551 818.1784275 811.2598147 1242.636933 1623.718479 928.3605573 1116.120731 1142.869624 608.7926189 1157.67784 1032.629332 1030.988513 1398.257617 918.8949573 Reduced Vitamin K 4.07813e-08 4.07813e-08 4.07813e-08 1352.406154 4.07813e-08 2966.590394 295.6943421 4.07813e-08 4.07813e-08 39.09592657 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12108.57368 11787.37369 3933.357063 6678.538259 5525.853045 17653.85366 3210.142097 6792.276261 1141.131066 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2297.777932 5798.259787 2577.844128 2318.580524 3661.54952 197.2306186 6677.710953 3906.241819 4347.997273 9247.453261 4928.703108 6237.046622 534.9498922 4.07813e-08 4.07813e-08 1626.855102 4.07813e-08 6403.014202 (Z,Z)-2,9,16-Heptadecatriene-4,6-diyn-8-ol 2536.78874 1797.313513 2792.608718 2212.252265 2931.18092 3414.515312 3765.807033 2005.551096 1856.991076 1774.010294 1580.714064 1435.877883 1942.457862 2356.394686 2129.479531 1633.117019 1246.261588 1399.995566 1956.816262 2031.256562 2058.295868 2009.601442 2437.757093 3442.553333 1598.682702 1485.185384 2022.898398 1617.746632 2262.530844 2548.591898 2641.957881 3359.781864 1179.397689 602.4198576 1435.491272 1939.544751 2710.119371 2074.21889 3158.302484 2845.912107 1075.173229 1438.470773 1606.387631 1663.43278 1916.678803 3376.368753 3084.470185 3356.900556 1816.401374 1531.588158 1042.940083 1930.63416 1937.819298 2486.756265 Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside 2507.669812 3092.125433 3081.087673 4433.466295 3977.628291 3795.02627 3868.282949 2390.161695 2003.175215 2282.217827 2339.164611 1731.344884 1517.06021 3747.279961 2985.229686 1102.071908 1283.712471 1919.726146 1977.993859 2739.770403 3113.057149 2813.840679 3441.679635 4272.826412 1005.206418 4774.881297 1124.190456 1809.851405 3405.939025 3957.735469 2421.881877 3639.16277 783.8963705 152897.0845 809.6620796 2447.663502 2773.499763 4531.960147 2537.80241 3407.358227 947.4535071 2175.251087 1486.190646 1705.619757 3182.064634 3557.220534 11643.32186 3995.90618 29780.43097 43774.10301 34741.96792 4861.372491 909.964301 4605.348208 3E,4Z,7,11-Tetramethyl-6,10-tridecadienal 4.07813e-08 212.8460213 459.4438322 241.1878602 455.6293218 317.7955916 91.16489861 322.6512078 180.7799439 7974.202827 3570.735528 1158.831784 4582.417238 1096.89915 1540.10948 2410.989215 923.4364953 924.3311642 783.9060804 921.3290586 216.9862438 70.96716235 86.75569028 653.194472 4.07813e-08 3936.614372 500.1313869 872.878918 2615.61325 2884.082149 1851.142132 2053.405478 995.4391418 954.0303531 2476.494023 550.9564324 314.8440117 446.9500035 221.9557 4.07813e-08 4.07813e-08 86.62133174 518.14423 3430.489108 2250.341642 325.6700773 694.8571092 284.7926476 4.07813e-08 4.07813e-08 470.054018 441.3074611 5549.881552 199.3398375 Isopropyl nonanoate 2998.749873 2875.752518 3416.761079 3797.113179 3295.055717 2666.762798 3051.939444 1675.679581 2398.009804 2011.439123 2183.7051 2191.082416 1978.551192 2173.272901 1794.59604 1930.266074 1177.905271 2065.18476 2693.423341 1691.050656 1985.463648 2255.470397 2077.417156 2297.32889 2763.956085 2172.871028 2332.726316 1863.27879 2015.024131 2131.499955 2319.968338 2231.575171 1514.013539 1678.297739 2065.649819 2709.327577 2775.702882 2349.272495 2381.579839 2323.2822 1721.753122 2081.961595 2110.374141 2530.769442 2161.269754 2788.653842 2280.78665 2096.635501 1613.490337 1724.516606 1829.054861 2237.609513 2792.144827 2864.762263 1-O-(2R-hydroxy-pentadecyl)-sn-glycerol 67439.69942 54243.73801 59096.24166 52634.279 56124.92341 52790.01942 42453.74207 54896.69431 54014.86275 35795.89574 31533.7769 32233.21893 31317.32145 38714.94909 26858.11057 38362.00848 31997.31009 34564.41528 42722.72523 34666.45806 36270.72337 38540.70345 34378.72972 45627.93142 39789.50233 46123.47521 49433.75778 27060.6676 36472.81977 37479.43423 45808.35631 30833.00237 37356.05996 31470.23707 41121.56972 45009.50477 46525.9736 36960.62074 37415.94997 37114.25227 35178.05032 40935.6153 38722.58192 55037.82579 37692.25587 39667.35566 41992.79918 40193.46871 47159.07619 39534.77173 33324.37475 73433.91655 40816.63558 51811.93925 Obscuraminol A 9145.821902 8765.05908 9352.715109 8730.740465 8983.830565 7226.119473 8282.960356 8048.454879 8717.74119 5785.487953 5935.639973 5168.302186 5403.701028 6006.393757 5286.384539 6185.338175 5488.860931 5218.099095 6165.081708 6286.671803 5472.851103 6244.702068 5608.526475 5480.525577 6513.957964 5980.094548 6166.437603 5420.556543 6459.342272 7310.041698 7048.529995 5951.477996 5718.736529 5599.508708 6221.53858 7432.699263 7982.711347 5425.343343 6653.886797 5667.574114 5924.40388 6074.937114 5204.919339 6961.588689 5757.256134 6802.612464 6930.853713 6452.620348 6427.932316 6337.153357 4745.866278 6922.176701 6487.852413 8243.276722 N-Desmethyl tapentadol 343.8446081 7047.875003 4.07813e-08 170.6644572 4.07813e-08 327.2436567 706.1300987 1846.128509 1001.312557 546.05192 395.7354127 716.0724287 1442.512648 1523.594369 1696.413353 4.07813e-08 1171.516824 1620.046238 138.3409458 566.8141653 431.0258975 4.07813e-08 142.8589138 427.8538667 130.9101246 182.3247086 4.07813e-08 191.7933708 936.468572 189.0853536 111.1793247 1335.824672 4.07813e-08 120.4462395 298.1165592 298.6820246 4786.477124 105.9583791 261.2796236 331.4295472 159.0028152 243.4170736 373.7498306 157.1689133 813.2626303 379.9626677 1453.127759 133.5327361 3117.638029 3235.006377 60181.41074 2661.614456 32389.73453 3240.552634 Melatonin 4.07813e-08 390.8624821 4.07813e-08 97.46604852 27.04393774 4.07813e-08 63.09198373 175.0035363 912.1583511 2427.933601 2502.743249 2382.203198 3146.628456 5527.785883 3608.935606 3633.692623 3254.299088 4439.376884 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53.9168009 4.07813e-08 4.07813e-08 21.16555698 2862.54155 3374.261589 8300.16743 4209.849799 11427.45376 3005.682892 2420.85614 779.9532775 5185.051419 4.07813e-08 4.07813e-08 4.07813e-08 296.9650191 73.04785572 75.76747763 33.9067171 4.07813e-08 4.07813e-08 4.07813e-08 518.3050803 4.07813e-08 94.91007981 4.07813e-08 6866.424464 95.83016187 2724.949708 4.07813e-08 Ethyl 9-hexadecenoate 16255.95741 16594.5165 15493.05118 13028.92856 13574.78717 11211.45957 10694.16669 16340.37877 12412.54154 9645.017797 8939.274038 8451.48103 7759.68111 7718.27084 6425.409646 12680.41441 9794.520451 10392.92596 9299.638433 9725.07911 7565.939002 8430.28816 7431.471427 7807.150203 12498.33306 13151.94895 11231.86309 6872.683718 8625.160523 9321.256124 7771.836284 8995.303622 9435.424856 8418.406842 10694.62544 10617.01683 10343.31275 8664.569299 9623.755479 7360.800904 10759.03086 10337.04042 10519.34507 13917.39992 11118.58718 10604.87626 9648.731045 9776.379622 12920.69569 11922.91059 9403.167956 11386.742 9696.542359 11534.11183 1-Menthyl methyl ether 1438.822455 1670.955599 1397.483806 1228.263536 1433.452404 939.6612666 807.5305812 920.260516 1069.140138 482.0527525 1204.964066 988.2444601 727.9438037 888.3632651 452.5105009 930.3207048 624.193737 1031.934585 924.4248329 643.8986684 991.8127586 749.1938876 622.62675 992.3315978 697.5540511 930.3494934 977.9965108 516.7511981 1287.534439 694.589558 761.3165448 792.7150097 765.32671 720.6962488 806.2691543 1085.022518 1199.287335 768.7607359 597.4183198 577.4919451 638.8543464 689.1263415 622.3437102 1052.102304 1057.159721 1212.525396 988.8900128 890.027311 766.7644847 708.7340196 617.0700342 719.1678031 1044.091503 1231.886138 3-Methyl-quinolin-2,8-diol 2956.567472 2330.948572 2139.641851 1953.604225 3218.521707 3148.712733 3073.490282 2901.69463 2322.544554 1509.999909 1424.808387 1481.531505 1154.376507 1154.814502 1039.098929 1573.208294 1358.474283 1742.026578 2714.245419 2899.436995 3188.079664 2915.813418 3209.339532 3096.348693 2852.473925 4432.976781 3930.520933 1297.788823 1533.918079 1138.3684 1818.093065 1268.239194 1769.254623 1791.355773 1905.231544 1733.664189 3126.486846 2884.514174 3306.659741 3060.396908 2736.18476 3081.197159 2741.35622 4386.885206 2853.081854 3715.135828 2403.526013 2926.443396 2767.247909 2553.820195 1746.187372 3390.519914 1859.694628 3669.223891 Betaxolol(hydroxylation) 14358.48383 14524.58134 13072.37802 13067.0528 11281.62041 11252.7272 10801.33633 12317.56624 11937.11023 7728.218376 8042.160044 8643.778905 8245.91495 8400.999849 6514.251385 10562.12877 7635.938677 9328.86661 7118.199784 7275.683326 7568.387535 8207.207624 6411.156733 7047.265564 7868.78263 9262.15145 9064.154833 7116.817587 7990.212267 7956.342525 8923.225523 6722.596215 7109.012105 7927.892048 10477.17678 9991.921522 10400.03638 8821.819203 9881.070859 7185.311162 7889.673308 6882.211926 7912.786545 8667.721607 8706.588095 9141.936165 9033.398056 8418.386071 10454.27135 8401.057174 6048.613385 10544.40468 11392.1987 11629.51388 3-Hydroxymethylantipyrine 2730.913157 1802.483268 1393.509511 1196.642102 1629.70821 1868.067835 1846.746577 2577.91233 2215.239927 808.3989456 612.8414834 375.0118455 534.9633193 247.5041301 665.0181989 4.07813e-08 167.7721302 534.5189689 3294.618137 3622.639956 2785.431652 2258.035714 2849.135886 3089.881367 2465.105909 3243.483921 3992.570208 692.8704417 758.2935306 360.5410626 516.808372 429.1513761 601.7027612 1042.854885 222.122895 227.4959461 1778.720405 2807.578893 2267.357402 2528.418662 2789.755834 2914.630849 2770.854449 3111.5699 4086.636337 4011.779636 2753.002391 2685.218183 1653.735343 2158.488237 776.1858112 2459.181292 634.5143095 2057.430534 Cinncassiol D2 glucoside 4.07813e-08 5820.488554 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 206.4643269 243.8109887 119353.4739 83793.04452 57251.24082 118027.7765 29438.17698 73605.27592 34311.52623 36385.71795 73224.64367 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14162.17077 507.8217978 74808.29222 82858.99863 50125.25936 58085.02472 57577.42633 58240.71398 105825.3599 16641.96583 26616.63653 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6080.142396 11516.53456 4.07813e-08 58.44356125 4.07813e-08 845.9849009 14075.12808 93020.95545 537.1537327 66314.45927 3323.167778 Methyl Arachidonyl Fluorophosphonate 4.07813e-08 1563.674835 4.07813e-08 63.27085158 4.07813e-08 4.07813e-08 138.0553617 1528.671675 142.8565954 13771.75182 10962.06487 6143.805505 13388.44327 5060.080016 9865.632965 5015.22633 6135.751667 10273.61716 4.07813e-08 4.07813e-08 112.3944542 4.07813e-08 4.07813e-08 4.07813e-08 102.7101909 4.07813e-08 4.07813e-08 4640.862754 7697.756971 8868.615978 6012.030615 10743.19791 7025.011542 9526.003642 3515.029169 8808.535103 942.1703602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 112.1138531 4.07813e-08 125.5649225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 343.9372925 1118.47444 12902.73209 4.07813e-08 10370.94114 4.07813e-08 N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone 61596.86905 58594.29742 53281.81965 54293.33039 51456.62717 45398.82021 43159.39448 47699.63764 51241.60869 34355.43521 33425.24429 31324.71324 30650.51267 32834.08416 26557.82625 40160.74218 30109.96602 36206.87897 35869.20293 34434.79311 33714.08317 32877.9655 28720.10624 30955.23018 35287.5202 40669.46099 38842.99488 28832.84197 35459.28683 36997.23342 35732.75376 30418.24139 31254.14945 28053.81621 39777.76993 41164.87236 42692.09547 33238.58268 33868.03641 29465.15512 28531.13379 32056.77836 36767.29154 42478.6889 39577.82091 39824.00401 37546.84549 36485.26288 37962.01334 39438.97866 27191.3516 41783.38423 41310.26275 48644.109 Prazosin 43.69345321 716.470269 42.42513363 4.07813e-08 4.07813e-08 4.07813e-08 169.6249364 906.723346 1192.229989 422.2038846 21427.72747 503.3324926 201.848205 29.90421776 573.3445359 3657.018303 47628.75108 257.8906869 4.07813e-08 76.2564872 36.57857532 4.07813e-08 31.55292023 4.07813e-08 4.07813e-08 76.29875303 4.07813e-08 52814.72544 347.0707068 18214.66928 67.76634394 56598.98183 13103.15494 722.1623827 16895.88688 182.7308303 74.22022535 69.37329088 72.10539913 30.23905275 29.0474362 4.07813e-08 40.3216809 4.07813e-08 4.07813e-08 36.02195753 128.0280143 246.991803 218.1325049 354.2986912 574.4562122 438.937882 2641.647144 4.07813e-08 (Z)-3-Methyl-3-decen-1-ol 6945.511858 6309.699291 7070.271594 6533.703705 6361.360714 5483.826021 4536.71804 5022.212194 6008.171176 4013.937226 3920.898038 3433.175333 3612.725965 3692.288577 3031.008538 4751.774442 3243.40507 3897.020068 4487.934642 4620.674848 4122.088662 4627.380374 3323.992198 3785.187098 4045.698907 5354.090992 4744.092534 3534.901627 4316.055107 3846.197377 3653.13141 3279.359985 3467.589721 3868.563525 4688.995166 4610.568075 5126.169509 4238.138932 4110.920755 3386.914932 3151.652042 3846.713571 4804.419884 5471.199034 5410.175993 5240.508335 4841.436519 4379.302068 3738.891372 3744.276675 3160.101817 4822.466084 5061.971689 5602.188246 Rutagravine 5595.292309 5578.406946 6719.99237 14757.39249 12239.34871 6573.935874 6032.169606 9010.641126 1636.490354 4.07813e-08 22.05125388 4.07813e-08 4.07813e-08 36.58687807 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1839.653932 4.07813e-08 761.3041469 538.5708193 4.07813e-08 157.3953606 147.8097679 4.07813e-08 335.9336992 4.07813e-08 4.07813e-08 315.3285979 4.07813e-08 18.52911554 259.753015 4.07813e-08 4.07813e-08 17.78349738 13271.08526 6343.305659 11417.03247 5971.743123 5766.344051 4654.781369 1719.981174 154.1926765 150.219391 3553.364837 3006.608426 14153.68813 21479.98795 24906.37912 4.07813e-08 12288.98276 4.07813e-08 12917.11162 dechloro-Honaucin A 899.4003479 573.5313872 987.9532364 830.2824649 838.5350872 824.1345419 631.1932563 690.9463224 398.5715683 249.3126989 544.3889191 580.6885003 179.2420094 474.0401452 126.7579955 565.4531513 405.1804988 464.1182038 843.0812514 960.0372598 1054.997112 921.0322578 797.5459095 972.1986127 1177.514979 1408.759385 1001.252331 164.128886 411.1992849 565.2596653 312.2871135 338.9234915 227.0347437 229.283108 405.6605266 372.9585492 1065.91187 915.4630659 831.2498781 926.3234659 669.0889056 932.3475501 1098.62402 1288.639764 871.9293071 1397.044056 1053.935343 494.0618834 667.5520295 991.2392724 243.4559804 807.3867313 261.2784989 1082.968118 BAY-60-7550 3117.85822 12966.81087 630.6900169 2167.867497 4.07813e-08 75.94553577 4165.771393 8087.960946 15974.61003 13008.08288 10388.74666 9667.674206 13596.96766 6948.290793 14605.45727 9699.178136 3351.321903 6659.291025 4.07813e-08 4.07813e-08 845.5417207 4.07813e-08 4.07813e-08 4.07813e-08 144.0581806 4.07813e-08 473.5164657 24437.95152 16880.18478 9978.28919 17741.77738 13301.73775 13930.06794 30734.85319 8611.577461 7589.697875 2467.492016 186.5700664 495.0721314 144.1194384 4.07813e-08 4.07813e-08 4.07813e-08 113.9156343 4.07813e-08 26.13885844 1460.879418 488.6364425 6198.89071 12737.05341 21038.74265 1303.319092 17795.1507 4.07813e-08 Dinorcapsaicin 2319.954897 1308.566801 1522.722839 1135.769994 2378.053411 1605.091351 1317.098143 2391.80142 2362.773625 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.64655976 4017.102858 3198.504561 2737.737228 2681.444511 1696.829891 1667.9204 4004.57509 4951.715879 3356.631868 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.231562594 0.376939322 4.07813e-08 4.07813e-08 4.07813e-08 2051.43043 1626.197745 2312.094706 2722.463687 2196.032409 1623.534488 2396.96597 4892.549167 4853.146309 1113.991395 1142.002018 1162.806598 1902.635225 834.4747843 4.07813e-08 1425.870786 4.07813e-08 1756.742705 4,8-dihydroxy-2H-furo[2,3-h]chromen-2-one 959.8269727 2269.141951 2648.531533 1067.217709 1334.718248 1107.055138 550.597268 1078.185603 826.8168915 464.7719264 359.1234166 4.07813e-08 325.0529769 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1433.504853 1593.321233 3197.459336 1258.737386 830.225553 390.3121126 1062.732763 1594.674589 827.0545775 4.07813e-08 4.07813e-08 4.07813e-08 184.5287422 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 192.8331444 831.6102838 1662.157468 1501.532327 1033.960154 1083.908174 1254.04737 180.3775151 833.7548589 1273.263233 6636.781627 1543.077039 1356.278644 1875.309132 3658.349111 4.07813e-08 804.4603629 4.07813e-08 1279.568145 1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate 1416.459241 4.07813e-08 753.7104466 1443.823723 8774.865774 1123.824286 1556.595135 6190.626156 4.07813e-08 265.4409428 120.960383 247.1777085 4.07813e-08 4.07813e-08 163.5099992 4.07813e-08 4.07813e-08 4.07813e-08 9010.865914 8696.195019 2428.2928 4164.207169 1613.125283 813.098354 3789.778261 14377.50987 6283.556687 116.9583644 186.8553661 172.8671503 213.4742532 296.5359118 143.96331 182.2312836 4.07813e-08 4.07813e-08 3513.283367 4707.495228 1865.785452 1736.004368 6114.215068 3284.894941 3420.602261 20403.05918 2289.756131 7477.283902 4092.898879 3521.275619 621.439426 4.07813e-08 4.07813e-08 5540.079407 4.07813e-08 21233.46809 Paeonilactone C 2739.628704 830.4428012 4283.352821 2746.865748 3419.304231 7013.30316 3388.80862 2869.547434 4694.711452 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 532.529375 4.07813e-08 2373.82256 4.07813e-08 3824.197957 1188.022582 1059.504178 4.07813e-08 803.5890367 4.07813e-08 4.07813e-08 18.72690572 4.07813e-08 4.07813e-08 203.118058 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1959.307942 1290.276507 454.5624925 1189.690717 2893.060244 4.07813e-08 4.07813e-08 9939.220447 825.6585389 3599.684081 1495.455252 2968.038675 4.07813e-08 2913.069658 4.07813e-08 1918.628313 PD-160725 2-hydroxyethanesulfonate 8193.622494 11198.00061 5370.586589 7191.705889 3435.210515 5603.52357 9707.983677 10821.45777 11907.57483 4404.648635 3615.421856 3574.672608 4070.893478 2106.677267 3032.347092 2139.950176 3162.384126 3812.331948 3805.241298 5459.441785 5474.84804 3830.026318 3517.566313 2098.086039 4511.98176 3383.433432 2615.430917 3660.685972 2911.172355 2874.47106 3190.987727 2172.916 2083.618138 2623.619416 2784.920628 2416.317319 4408.266066 4115.43508 4217.586433 3428.265137 3326.779011 4158.165423 1991.023204 3597.207943 4322.914739 3163.633269 10601.69169 2688.100976 4707.285822 8985.690047 3656.418589 3353.711465 3253.322797 2607.828443 Aurachin D 6520.587075 8450.941284 3286.980084 6683.608161 4025.260132 4838.541014 10173.51953 13482.4563 17052.758 11537.24656 15064.85616 13303.53369 10830.97992 5820.368937 18178.28534 17674.97675 9530.220698 11744.79973 167.1069214 1168.527824 2515.881432 4.07813e-08 256.8608457 325.7877625 310.1427275 965.6204574 695.3928393 7830.481525 17249.77826 4999.67148 12297.15115 4233.496002 10667.85063 17471.49014 7925.111361 9666.064712 57.28250534 1430.506273 1069.206193 1845.108764 571.6930375 1123.824925 654.5083742 549.6282052 245.8665786 513.8275258 5005.065982 3246.673915 4804.890066 10468.7554 7501.641525 3963.015866 4462.37761 2723.684359 4-Ketoalloxanthin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1144.867183 2541.420007 45279.32181 56811.75828 57130.31584 45163.86251 128363.0537 37495.43834 36457.03862 94403.13572 109488.8191 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29616.09071 50394.95415 86551.80776 20429.73504 173422.7792 50193.03987 32043.99244 22272.18638 58904.06168 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95745.23129 4.07813e-08 8382.003735 4.07813e-08 3-Methylbutyl 2-furanbutanoate 8791.567133 4290.244831 9212.55043 9028.062662 7081.720367 9273.672115 8635.327509 6726.71588 8747.945981 867.9285061 1025.307003 779.0132186 1301.789284 761.6211625 879.8424086 1870.406617 1004.38553 1329.319967 6757.80937 4797.430733 4043.562552 6523.762448 4504.381116 5110.173389 7176.544437 5589.982113 6495.916082 743.7784165 997.1138084 1769.712533 1300.093172 709.1357437 1598.549056 866.4800425 1029.283661 1315.482356 10754.48291 6759.500281 6280.592512 4645.697614 4893.892876 6100.441346 6092.709869 8319.722381 4345.350581 6985.796629 6082.429715 9775.477021 6577.309702 6296.888116 3398.275769 8062.452217 2269.942617 10231.02963 Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine 2120.121761 4963.293574 943.1712002 451.2914278 1252.330545 920.0268518 1963.068961 4656.401583 15892.36924 36723.23634 51071.48483 47329.04523 44152.21841 111640.3779 38683.34954 38993.53222 137418.4187 79880.09473 2785.43233 4344.814453 2296.972513 2317.794275 1871.3008 1761.537176 4228.255794 1093.14117 3806.114856 71319.0112 66558.4274 69440.70496 51857.98821 157776.2296 43293.86138 31991.99338 98601.58471 103667.1794 890.3471311 2365.088675 952.9409529 2231.205162 2032.139101 1504.359992 1499.568136 2282.076983 2111.425178 1828.928283 3450.861334 1965.633963 4614.482883 5491.370056 51916.07436 3785.113204 19968.08616 2440.593713 AM2201 6-hydroxyindole metabolite 758.1769556 664.9181097 195.0624443 4.07813e-08 218.2205695 755.0619677 254.0142125 507.2272701 423.7957345 19260.55371 14783.31587 1020.761702 14249.52712 6581.729017 5850.904901 9553.836412 4437.979481 3932.043824 466.5919033 1631.190018 198.2709722 602.3976862 1239.174372 1452.704699 1520.183633 1102.276977 1162.046826 5236.047051 6479.024144 5514.359642 1757.018996 1273.909605 3842.186983 8278.588522 4546.844691 1165.082671 493.0549524 436.3121121 420.2602261 747.5639494 4.07813e-08 220.7835936 2381.551383 1026.167455 4.07813e-08 1701.387076 578.5017023 449.3721741 175.6659755 1859.71532 3583.050288 601.7102489 7522.537439 770.6864306 LysoPE(18:3(9Z,12Z,15Z)/0:0) 6650.637239 15353.80158 3968.630771 5962.331286 4885.630461 3402.362082 10288.68005 13094.02451 23399.83973 41592.50899 32601.69163 37727.97516 43181.45314 52306.11539 52102.22056 46209.04916 79145.39847 69273.73728 946.196606 3025.051197 3107.60748 769.226317 7379.376316 4964.612014 1141.443008 175.8073557 7523.084353 72698.30445 53591.55166 68228.60137 57443.4681 69402.26432 41126.3406 36138.74586 42522.0483 75349.85279 9372.921898 5069.878662 3955.538379 5892.552903 3228.974491 6158.229789 9822.779513 902.2728503 1390.014158 4865.61599 3707.84771 5108.225787 12745.71602 7881.119009 52347.13641 6183.277007 38233.07459 6499.017115 Elenaic acid 702.0068386 263.5781786 717.6345157 478.2743394 1546.837081 520.5837803 778.4852006 4.07813e-08 277.9959165 3129.386431 3202.66133 4097.625968 3234.03694 3551.587524 2770.249148 2953.003214 2390.813876 1254.780704 1227.994179 1078.500886 1064.116024 1085.091888 1672.01757 1400.599642 1100.641719 871.9726266 1383.417582 3009.633334 1844.118143 4555.242705 2049.021286 3576.739801 4468.927447 2909.792991 2851.263314 3612.956621 218.0246929 786.7139992 342.6870632 1234.928548 728.351568 844.4086831 1322.814996 1340.760316 2134.105817 1497.321069 1154.636095 640.9655088 606.135404 270.5907227 3739.786225 897.8375654 3048.131765 873.3230435 1-hydroxyoct-5-enoylglycine 3294.481079 3652.340028 1552.012308 2096.92089 969.1129924 1371.469655 3539.221841 4515.727292 5664.721129 1301.025877 994.8575891 1406.033926 664.5807189 881.0441535 3331.719245 2233.026989 2531.322527 1373.238391 713.1594728 596.1605656 1583.969348 641.3047914 534.357272 436.9397792 645.7332978 1958.794636 1565.104275 1076.047755 1103.826792 1168.120548 2434.68144 1609.751543 1495.307695 2192.651381 2100.216443 1705.911696 1185.16896 1171.924379 1819.423766 2096.775803 483.2509979 771.1489617 624.669756 1390.44308 561.6811847 785.7704808 588.4126579 1028.96316 2588.490875 2766.875946 1340.224811 736.1240293 1373.976821 740.5757068 5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene 1337.148328 1098.009866 1098.74986 722.4058193 752.8418287 1219.532089 2283.618512 1504.514457 1195.72213 506.1943251 211.7874058 123.683702 527.938501 296.0440912 529.2240792 4.07813e-08 384.1392071 370.2130461 2257.512966 2070.888549 1972.159687 1911.136663 2362.493976 2474.033425 1751.608115 2838.266536 2685.996079 510.5619009 557.0520144 47.72343616 517.9511084 410.8164399 322.2208924 715.7984199 100.4489301 60.48891315 1461.365482 1744.435901 1583.411426 2092.05055 1889.258765 2290.14994 2012.054179 2486.58974 3430.245335 1793.277861 863.2253071 1466.317441 1542.03474 1161.619155 770.3690287 1556.099762 378.9885175 1388.760775 PURPUROGALLIN 4.07813e-08 453.1071379 4.07813e-08 283.3359813 4.07813e-08 4.07813e-08 148.6022663 124.617399 4.07813e-08 1383.136883 1523.138377 2825.797247 1019.399952 2255.856591 1721.254517 1611.763136 809.1237669 1251.207826 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 87.14607312 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1160.764421 1834.483847 2647.83476 914.4084611 1490.44437 1965.049145 2198.759716 2211.741646 2417.617244 68.22478695 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 485.4369415 2711.755367 4.07813e-08 1748.807942 185.3156843 8',10'-Dihydroxydihydroergotamine 10866.8282 14446.50205 1531.94768 6548.07901 587.8043042 1013.826593 6226.100335 7269.055198 6100.674529 7336.040647 8955.258241 6337.393961 11767.78322 6419.390374 378.7450598 9556.611535 7771.871403 17877.47913 123.0636712 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 333.8572553 679.4608773 4.07813e-08 8489.97093 13934.25805 20794.70653 8536.684201 9889.785235 31.5197992 3833.962649 3194.929092 15177.70892 7685.892062 394.6081982 955.300981 4.07813e-08 4.07813e-08 249.8517973 4.07813e-08 1422.019699 4.07813e-08 268.5846193 496.610632 1388.968936 2145.346366 5350.140903 727.913053 2710.924055 13422.41702 1153.117054 1-(11Z-docosenoyl)-glycero-3-phosphate 2092.053758 5716.606712 2179.797237 6966.242991 666.9583269 537.1337834 3346.120141 5841.082788 6812.974438 2843.905423 4510.562205 3941.356983 3628.566465 730.6249121 2614.182902 2467.887564 4847.360543 1593.027128 4.07813e-08 42.45943256 520.0580088 13.02046569 17.88614383 407.5607066 250.4533849 274.8806644 163.2917175 2161.420373 1635.461115 730.2702185 3334.942437 1003.011242 3444.085956 6600.337065 5916.793116 1157.818136 29.0422569 7.353976648 40.41334269 39.1473448 4.07813e-08 20.64341099 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2324.587547 187.487603 1093.346475 3928.257149 227.7648974 1263.04884 5655.839643 1021.008057 PC(0:0/10:0)[U] 13614.94192 18269.4677 9823.059924 12220.01165 3556.962625 9238.730745 12204.852 25957.71853 33133.29166 2764.270139 1453.357776 5280.062599 3479.780253 2249.772621 2048.933996 2213.369069 3778.58232 2381.804979 178.2831539 1919.060883 4952.073534 593.7474124 238.4955098 2455.396409 1362.195458 2799.992852 6029.928336 4815.229138 3845.392808 2233.895214 6656.534673 4728.153788 3485.69456 3124.394698 4307.893304 3026.550056 3822.030623 2643.309909 5071.709226 3872.895235 756.8512342 4.07813e-08 1513.792008 1562.796811 2270.254065 2663.56228 11847.56036 7048.878942 8279.827011 18589.1995 3691.212045 7611.472413 7653.039989 3176.355755 Annoglabasin C 6701.157918 9294.327488 11447.50189 9515.935839 22220.53648 11212.58164 19690.88939 15320.48171 16948.68568 914.9727612 2889.357409 1250.312819 1305.762874 1499.789858 6820.758388 5373.459963 1893.615368 2341.356521 10919.42756 16877.53829 40269.76047 24879.52816 70329.02256 37578.40251 31186.71127 19586.69985 36036.6052 1922.678633 3976.273382 223.4903533 3801.275736 431.8484015 1455.272136 3416.125977 3470.215735 2128.398106 13144.30335 10422.86251 12019.94946 65515.95109 26656.76882 34808.08654 44523.12202 16897.03887 23354.11835 21042.46776 9602.176622 15711.31959 10166.36848 8813.544567 788.0015717 16382.75889 335.1211374 29014.62497 Ancistrocladine 12724.353 50842.91419 194.2704924 11302.23112 611.2872698 14001.64586 5559.646365 3018.498563 18021.1047 31134.68223 46484.04811 24421.93622 81970.88609 52523.10172 1005.016074 87.46751701 4.07813e-08 127.3083972 541.5795339 644.9183861 141.8428532 742.1145828 4.07813e-08 1128.400806 765.5157849 4.07813e-08 903.1085218 49579.60217 4.07813e-08 4.07813e-08 4.07813e-08 67.33868851 30512.79721 595.2648353 4.07813e-08 244.5806359 722.7172348 0.745353782 813.2355137 189.6026047 4.07813e-08 323.750615 817.9382168 183.8813225 599.3811975 2011.17407 74344.00209 18316.76674 64446.33431 275156.5914 9369.099412 16729.48436 192176.0663 71219.09843 Linalool 3,6-oxide primeveroside 4993.396187 4420.046524 2998.818724 6107.213118 3964.725319 7519.724958 6909.436018 13141.39618 25469.99858 2693.428024 883.5064541 471.525123 3084.375146 561.4605241 423.0111244 2167.896565 1638.219013 1774.07752 2719.274818 2646.151335 5288.640165 1500.211448 890.4073314 2514.208399 1050.471585 4.85800243 3256.05374 729.3006473 945.8036876 829.8637557 1533.996207 954.7902181 988.5964522 1405.247685 903.7320094 906.5818593 2094.504921 3796.563176 5921.578124 3851.864467 910.8428025 643.816332 1084.191561 1832.747043 24.58234273 1229.854962 6556.428903 3390.455808 9251.014218 12621.71933 561.0472471 2862.964584 2195.507723 4959.884833 6-[3-(2-carboxyethyl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13079.7152 10724.28502 13080.66786 10065.94181 12173.7918 9840.074782 9293.587408 10966.13837 1947.547129 82.02858286 101.348741 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 135.7065118 4.07813e-08 10852.3248 6973.455035 14564.18366 7049.079652 15029.94162 17704.90346 13166.02815 12068.23391 14031.67397 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12433.51546 4.07813e-08 12365.35498 4.07813e-08 octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester 3498.698209 7308.896742 2558.683572 824.7423395 872.5539946 1178.218749 4518.379603 7855.708153 10069.89297 19646.55033 15085.42109 9639.530447 22116.02167 9968.40886 13494.10704 6042.52074 13514.38869 15974.73576 243.278 480.654835 1618.794937 273.4237504 64.15689181 4.07813e-08 4.07813e-08 926.5854327 91.73918274 9523.795645 11776.31487 9469.219999 6623.810962 11031.62446 5406.123217 8080.408102 8168.411527 9342.752683 637.4394039 328.4654722 1086.715372 478.436412 4.07813e-08 492.3951465 464.5430837 409.0511953 291.8329734 719.2492325 2785.936243 1082.866099 2348.940607 7958.577784 8452.759037 171.4006548 13210.08097 984.4574179 2-(1-Propenyl)-delta1-piperideine 1759.766472 866.2556612 695.3625755 1072.241844 1331.857255 931.651532 570.1701726 4.07813e-08 389.025389 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1302.875412 621.7306046 683.8936461 572.233225 580.7805902 1037.835388 384.3085695 4.07813e-08 275.7411546 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 873.6570489 421.8653954 695.0735961 567.8873303 630.3858682 688.6448279 1212.359437 4.07813e-08 64.3495565 1814.542245 814.8676814 853.6612807 483.2765918 336.1929879 4.07813e-08 1272.958639 4.07813e-08 131.4150694 Genipin 642.3658951 1555.360019 718.2451685 1229.192269 1235.748297 552.3797781 447.3254365 1454.739566 764.6026275 3795.09967 4014.805756 3428.004575 3692.67157 4426.286732 2334.066854 3120.835342 2422.569878 5497.795591 792.0884819 798.3209168 1240.357216 2137.131243 1046.570733 655.3724518 1406.280795 1115.202426 802.5023113 1820.844935 2707.25699 3736.453716 1860.846254 2819.721834 2963.500158 3775.467032 2412.483454 3428.158974 1258.330022 717.9634116 1047.475842 890.4904429 993.8034624 511.3496341 553.6064703 1166.125008 915.7704333 1745.879837 779.7741135 834.2378097 645.729317 980.237488 3154.303681 1259.610942 2632.727607 1776.913215 Trifenmorph 8902.327549 14656.59096 3125.184743 8068.537485 3722.752564 4548.776626 8787.25276 9516.328347 12261.39124 1027.263739 2109.270313 1811.167637 511.7943746 1391.741926 2200.098104 2044.142393 8507.723 3016.603558 1449.013328 2367.130457 5552.037253 902.9271144 1057.070609 811.3885969 1720.882185 1848.215039 866.796819 3365.738353 1408.973905 2176.797986 1950.612661 1251.852188 332.5677671 1350.051015 8974.872082 365.5704528 4810.437171 4331.809738 3558.280476 3267.359701 1414.781448 2302.034111 659.7422726 1586.366648 1401.579891 2237.449115 6094.991321 2307.545943 6544.001266 11748.32403 2070.249665 1339.427608 1111.61787 2600.278179 N-HFG 697.3763726 1428.814717 152.5357132 226.4510451 4.07813e-08 4.07813e-08 397.5712556 454.0207817 272.1071104 2431.272922 2549.242642 2412.171187 1978.816472 3002.483929 3104.139189 3355.878359 1918.048217 2882.345816 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1220.59287 2578.735308 2804.811657 2693.842777 2640.94971 2989.251377 2492.492229 1118.184026 2285.936233 127.6979416 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115.6210226 4.07813e-08 178.3626557 785.1507619 2314.406646 153.2162288 1939.655953 417.5892036 Rhododendrin 10973.87456 12178.65529 11527.40909 12201.1502 15555.3638 13728.33166 13409.52336 10705.7133 13747.4228 1699.538016 798.7076553 1351.569433 3141.329709 1502.03858 977.0687183 337.6832849 1315.243189 3363.30106 17182.47263 13814.22126 17085.75927 14360.22235 18359.48321 16317.2296 17511.67369 11757.42794 12673.34298 1849.871275 1519.888368 2392.48875 1874.347471 3314.28642 1864.174829 1390.879497 499.1166284 2692.787786 10067.6652 13751.33297 14024.63707 13651.73095 16221.25906 17494.27435 13492.19406 12779.55243 13417.83932 20167.30114 11753.50151 17850.93884 11219.88449 12423.02932 3184.896031 14000.16666 3714.004869 9139.090235 Anibine 829.0816389 1487.599232 1327.767573 2114.245227 1670.074619 1264.288557 1990.82664 2182.209845 1621.985289 235.9883598 111.0915131 4.07813e-08 149.5085132 110.2032661 50.42267052 4.07813e-08 43.3533033 87.33581621 67.379806 134.322277 246.2775269 323.7356142 4.07813e-08 4.07813e-08 155.5837968 145.0227334 148.7312184 4.07813e-08 4.07813e-08 316.3404972 328.2175832 4.07813e-08 4.07813e-08 98.92279042 164.8496446 145.3654709 656.6297822 286.7274233 498.713694 46.71166606 48.32380268 65.44714876 4.07813e-08 135.3955588 597.6194215 4.07813e-08 170.8198518 439.5312894 913.2982324 640.8797889 142.6886065 435.731762 177.9198592 579.7410887999999 Prostaglandin lactone-diol 1701.376134 2563.418938 1187.662801 1934.065786 3109.90158 2438.467182 2599.628239 1167.701958 1661.254014 195.6656649 172.1154338 513.9670959 80.60921182 357.6616745 88.15162569 711.35342 272.2459554 546.2468294 4167.60282 3847.825523 4293.886514 2405.017618 3808.862947 3540.836949 3874.927625 3147.191286 5041.994255 412.8059988 167.8667455 256.6913228 234.0821161 178.8837727 447.0007356 182.8132443 475.3869459 616.9788202 2266.01531 1995.374974 2724.095393 3286.920963 2834.497581 3383.399129 2972.088992 2409.412902 3376.306262 3541.057188 2286.408825 2019.69932 2274.281572 1850.705413 175.9158622 1296.674062 4.07813e-08 2058.834462 Platydesminium 1764.328592 905.5619361 997.3386575 2723.802369 3459.748842 1803.097474 1176.469715 1209.680374 1523.768574 366.7652177 1250.594627 764.1310679 465.6892484 920.8128099 384.5546216 386.4094654 626.1713114 1040.523015 2747.78109 2932.145362 2360.89361 2622.969983 3505.791873 2755.648424 2790.945774 2806.448597 3226.320659 428.4092002 1322.681197 1844.485539 740.0351047 980.7822776 442.6067767 366.1663476 569.2086636 1211.496047 1884.167023 702.590319 1919.246176 2652.042656 2437.083617 2779.697795 2469.609963 2332.641281 3842.954014 3138.173439 1994.8257 1648.244787 2583.637818 2078.24464 1377.957701 2093.291177 557.4748369 1807.780817 Dicyclohexylamine 2952.71916 1470.783775 2039.540967 2377.999664 2951.259139 2211.259359 2196.467463 2208.666696 1388.267483 1181.177471 1203.390792 1200.200061 1135.547465 1436.175009 907.7633803 1450.426775 942.0511814 1974.667584 1393.841184 1611.448773 960.4671988 995.8526192 1289.656174 820.5350942 1631.597911 1229.38725 2047.740491 1383.712262 1576.494468 3013.115694 1696.294737 978.5261975 1185.358036 1169.444304 1676.18327 1762.291348 1586.792571 1580.645004 1596.742384 1385.654307 2392.090944 1728.867873 1471.963816 1820.519738 1572.31942 1550.934528 1701.994973 2008.515177 1370.71848 1365.246154 1168.407537 1384.219039 1627.194592 2892.68544 4-Hydroxy-3-polyprenylbenzoate 5020.058468 2659.024913 2970.914719 2349.04066 2501.005472 2847.141745 4232.150412 3482.290852 2702.988064 1736.03561 1052.982833 670.3003557 2128.002037 248.4999256 2219.0446 806.6884004 898.8129716 757.6644977 7156.401241 5458.748821 5190.052859 5784.410775 6711.492649 6396.218485 6251.180255 7014.235507 7559.178894 1582.676824 836.9882702 228.4432695 1067.230951 1039.338767 773.8799046 1766.662602 2000.269965 1458.049037 4817.540272 6544.008246 4340.934021 5725.982768 6858.891057 5579.278802 5462.238017 7772.826599 9757.885859 5311.394855 3192.262961 4155.997898 4044.292931 2531.746157 1684.768103 4411.462744 1254.230053 4778.906601 PARAROSANILINE 1371.485389 1610.366536 2974.20824 7039.264567 7999.921784 3797.366394 1556.077397 2379.910691 553.0514198 4.07813e-08 4.07813e-08 86.59134689 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1508.088186 1555.775879 1918.359633 2845.678465 2219.692404 1393.538219 1829.58499 1871.52681 2667.297509 4.07813e-08 4.07813e-08 267.480879 4.07813e-08 184.3802297 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2498.252307 1853.368718 1900.553084 3375.08471 2537.67336 2472.739253 1311.676125 1170.254559 3818.253017 454.4952256 4.07813e-08 865.3880915 1604.942762 1534.864501 4.07813e-08 1967.165347 4.07813e-08 1767.822651 PC(O-6:0/O-6:0) 12106.41205 23863.83701 6414.1242 16781.44428 10135.25028 19879.02505 13240.82828 25646.79231 48161.03018 1079.452775 5259.606049 4974.560157 1837.896891 3252.313974 1811.151783 1048.544926 1207.645389 4.07813e-08 1580.306049 1920.598729 7180.067513 2061.20634 1303.135743 4281.609305 2447.155021 3490.678252 3189.639775 1890.159476 668.7893148 155.2492147 466.8078823 340.0335758 2522.07652 1163.228139 1954.13866 453.247749 2019.362291 4866.846373 6973.493831 5186.181287 1984.539584 1404.308723 2717.55817 1871.798644 2774.414751 2181.934328 19533.48094 10320.74933 16909.88213 35984.00039 556.290751 9359.289796 5141.593602 7599.92595 HYMECROMONE METHYL ETHER 325.8752853 660.5803936 201.7878332 252.7380608 421.1164892 324.1447452 4.07813e-08 283.6479639 284.1556692 942.1038983 903.1757359 676.3748462 957.7964512 784.7639495 879.6817725 755.2448141 916.554396 695.5238708 282.0349089 185.1860556 530.066388 182.0129336 159.689053 143.3555581 363.6194074 61.23922827 115.3478279 864.8486383 942.8093099 1066.128649 594.0088928 1309.349573 727.7720473 789.7044813 975.8933843 499.955625 314.082992 50.83533724 247.0303094 307.3251189 130.4023038 310.0771377 100.2997128 66.57007364 337.4588029 402.4101049 261.2834643 430.2349569 293.8829047 174.1135002 1316.472083 198.5756221 1898.503954 339.3839195 Nummularine F 19267.56077 14229.7837 14633.8707 17740.61597 19775.68804 20712.94752 24776.30378 17317.08042 18354.53243 2136.424352 3730.520562 2419.104762 3515.188624 1847.176951 2419.2614 274.2245225 2548.037623 2986.255987 52622.16122 49362.55059 44048.8674 36774.72041 51207.08513 44977.13255 39521.16901 50600.68515 49356.2889 1374.642351 2209.442321 4800.498321 1999.616716 3891.572286 2433.819222 2407.143419 1795.734388 1947.97352 27748.75842 35753.32512 31529.34219 44496.34013 45114.67796 48545.35275 38481.7641 52195.01862 64586.15265 37938.41474 27364.76608 34887.22414 21733.17993 22070.68963 4476.452157 28647.60925 4076.733593 27140.9885 12-Oxo-20-hydroxy-leukotriene B4 2786.672342 2944.135816 4896.201606 7098.298798 6231.697902 4767.006151 5229.527108 1815.828343 3317.535666 636.0878331 822.0388559 1497.086829 867.0522059 770.4710854 1378.997961 1530.008367 908.4442787 1774.768306 7687.742681 6320.662264 4888.654631 5223.838701 6668.37522 7068.615374 5509.857317 7272.431383 7730.006307 4813.447341 933.3912144 415.5839437 450.2616069 1766.6604 1057.288727 673.4330521 21526.30479 321.5250342 3925.889578 5058.041829 4438.385418 5398.952525 5382.398455 5906.44164 6101.736243 6042.215295 15873.24194 6811.592905 4499.19469 5439.322283 3885.333575 3001.52929 1972.770568 12514.85366 1011.711891 4838.59432 3-Benzyl-4-heptanone 873.0146691 141.5449051 232.007188 602.216941 615.8111903 722.1331007 1015.154363 900.8865462 610.8163424 4.07813e-08 4.07813e-08 44.62153834 4.07813e-08 101.4580039 49.90505536 4.07813e-08 4.07813e-08 64.9145457 1720.728825 2343.917958 4757.486505 4664.278547 1179.197021 1835.842988 1972.776645 475.5945365 626.8584586 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47.1769636 4.07813e-08 65.35020708 1127.415055 814.5808785 583.3581869 2056.502634 1367.750585 1545.188101 1614.798924 1062.657835 757.0461096 933.7477958 375.9675497 1063.562328 514.9280069 284.309408 37.34415452 741.6543044 58.33624979 1064.588054 S-Ribosyl-L-homocysteine 8636.93157 8102.612358 8689.516246 7590.792305 7075.137431 8609.919692 8129.315181 7989.077334 5602.570462 1655.969617 1559.01769 830.649951 1892.222724 874.9467534 1093.292926 780.4929919 374.8314272 464.7499966 3194.542877 7826.004088 4451.526458 5251.616584 3916.397014 3108.401249 4662.143901 5864.839147 7855.818733 138.6823397 632.2501862 838.6102913 440.7284937 416.9451874 646.271257 404.8419089 1667.867437 508.9244827 5521.249946 5941.243553 4148.216699 5311.186618 4924.562218 3507.523747 3699.176295 5853.222066 4471.567299 9414.470291 6242.34148 7331.049914 3879.208617 3032.96888 350.2879316 3486.861925 642.6751986 5487.168227 R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)-5,5-dimethyloxazolidin-2-one 4784.272353 4367.450881 4260.914064 3821.01566 4131.33971 2792.644162 2419.382967 6044.544667 5183.336912 1779.766171 1804.800251 1014.127734 1774.561486 2092.89439 719.6592871 136.0063392 1862.032632 2796.822947 5761.380382 5332.868227 3225.117685 5443.078958 3927.557911 3996.369619 4754.629965 6173.777251 3941.888893 1858.439452 1759.333321 2807.819746 655.5410754 2388.411494 1583.629981 1105.66739 1079.765259 1992.060711 4388.125991 4793.169539 3744.928567 4051.506527 5922.258997 4607.563934 4230.663592 5520.596055 8673.095104 1966.741827 4693.829257 3510.24535 2917.849409 4071.097184 3284.406939 3478.174827 249.8009639 2653.136623 N-omega-propyl-L-Arginine 2687.191772 2753.007892 2908.13876 2571.27917 3355.232604 3055.62113 3279.501121 2570.540987 2167.052774 1156.977048 1186.206048 959.3256719 1490.783507 799.5973097 937.0277781 453.3234304 789.8263795 1757.548789 4496.331023 4886.212914 4313.657997 4660.426655 5133.659133 5311.346771 4594.283318 3864.893075 3441.661925 585.956152 1004.250425 849.9740367 830.1427277 987.4178143 1079.154855 625.9990233 635.6306664 1004.951723 3561.740585 4279.9336 3668.795284 4361.037036 5003.868361 5269.32976 6133.009343 3209.150835 4827.681791 5715.998236 3529.270743 4049.87761 3506.760243 3088.760761 1051.010211 3839.28295 650.7547984 3969.865663 Oleic acid(d2) 2627.059495 1843.038372 1958.525871 2899.911263 2366.183798 2086.701456 1523.396776 1378.35467 2329.84623 960.3500939 1403.463806 1284.813973 1595.387847 1709.275585 1342.964486 2027.998849 1204.555783 1152.324751 1656.660396 2181.876258 1406.184847 1578.087978 1712.377726 1383.796303 2237.498831 2874.461461 1665.683407 1335.885491 1575.640963 2133.837233 1588.204226 1313.327499 1567.550904 1415.578062 1116.238659 2504.09514 1980.222351 1224.133066 1503.928106 1923.788504 1445.551917 1222.517855 2565.518416 2188.533171 2002.895634 2813.735476 2463.820043 2085.706251 1455.692091 966.954514 1536.943243 1899.88439 2200.795732 2304.836932 3-Oxo-6b-angeloyloxy-7(11)-eremophilen-12,8a-olide 3855.090122 2909.01746 3302.786298 4443.236328 5276.498826 4477.783633 5759.192352 3895.866216 3399.787553 975.1543036 504.8379102 1151.958257 1042.181629 506.1892009 893.7527597 116.5120684 1363.426797 1247.196858 10654.04931 11637.36828 9983.475542 10218.84621 11641.68176 10729.89109 9763.013115 11491.45341 11147.86671 1446.913537 1149.739418 1330.782917 632.6335571 1899.040944 1346.467528 1181.36343 380.9448377 533.1751726 7036.945918 10123.24305 8478.488012 10657.19593 11440.7147 10508.98219 10397.37268 9313.157418 12049.23314 8558.23908 5571.255516 8105.500797 6476.581555 6467.354728 2498.016271 7076.889795 1719.338806 6497.398914 Arlatin 3902.091859 2852.62466 2574.614182 2904.65087 3258.4077 4663.192785 6246.07165 1235.148217 3461.009731 460.0987909 144.9625666 659.8997782 349.0792614 72.38549784 395.3345669 504.5217153 301.5881747 220.7740982 4458.333396 6038.445412 4359.013218 5078.448847 8131.559438 7117.676012 6232.349157 781.8128244 2464.864639 534.2438759 36.4535928 84.39286013 0.974804424 4.713397278 289.1092662 383.8692847 370.7599013 130.7053722 3358.136051 6426.893351 4556.188132 4430.812544 5295.100028 8347.78203 6442.620853 806.1342455 1938.980864 6259.442351 4222.76997 5676.501715 2243.046919 1567.477687 619.5874151 5362.969126 419.3894674 2442.3993 3-hydroxydodecanoyl carnitine 9593.443765 7981.972117 8378.663505 38366.92572 11214.10443 12786.00452 12088.7225 10120.67353 9417.252097 4141.15531 4433.340386 4604.196527 4496.943549 5079.741354 6920.116079 1456.644851 7996.162601 5915.343999 13059.59763 9665.960007 11081.55506 22882.58559 17416.57852 16613.67322 14522.84636 10558.43388 13770.06472 4969.837045 5703.50737 6779.418479 6896.888481 8872.730212 4766.611793 5021.67449 5211.909415 4057.861056 12769.1648 14063.05171 13062.40014 20986.07628 21542.35934 17011.66302 14779.05637 10917.6493 10549.14335 9872.597741 9756.536033 16079.19747 13343.68479 10485.60276 7509.649502 11974.87274 6357.886404 8936.866642 2-Phenylpropyl butyrate 6362.73552 4301.71251 5674.087757 5021.163513 5420.774357 8346.180104 11069.14948 4432.557821 5021.331242 3426.917601 5734.731517 1569.880978 2606.757589 2071.952569 4387.559591 8667.941277 7092.347357 1945.279616 4877.891769 4941.513676 4854.380065 5326.130926 6088.133405 5707.638331 6151.624292 4307.025528 4422.409174 3171.837485 2027.918703 3914.86921 2753.487434 5486.865188 4620.120925 3696.332189 3716.397657 3472.392879 4967.810968 5191.93201 5170.132894 5113.313914 4968.641684 5870.315868 5143.213027 4016.426448 4873.975736 4823.892855 4442.243056 5837.140058 5655.902068 3804.598484 3618.903025 5154.035761 8592.192627 7078.92858 Phlorizin 219.9663376 3255.797981 4.07813e-08 1525.290879 798.3196584 627.5804809 1724.947247 2421.805193 469.3029947 3200.515371 3305.489162 5452.183809 3594.235767 6396.350072 3063.274233 2872.946927 4557.59036 3690.020738 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2720.178408 3746.068265 9611.877032 2566.14045 4341.216715 6578.794391 3039.810863 4632.448228 4576.404551 176.8184688 177.5273528 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 176.1872264 1047.165962 851.4183611 4158.775488 986.9111646 2541.689003 1534.833058 Cnidilide 703.1171279 1347.498749 904.9678266 739.2455058 1009.797404 712.4270089 1220.693738 893.2340979 614.4178372 722.0584491 602.8277878 444.6800543 793.301285 452.4333649 596.6224591 621.4735992 147.2359068 516.7721118 1162.263669 839.1349306 869.9163756 926.4501448 974.521162 657.3206323 900.6480196 726.3793084 774.9794495 132.2525764 690.8301821 784.0200005 588.7947514 803.5818504 824.8211178 664.5844724 434.5372201 660.8642666 740.5058012 869.1593972 818.9927577 1016.154726 808.194128 1062.563323 1031.208409 1387.820546 893.3350539 463.7607695 832.2311903 1066.701049 646.4352503 578.9914739 640.9004598 1100.558647 954.0061671 1030.843941 Withaperuvin D 6777.517053 3362.265154 7210.971007 9242.647197 10152.78651 17321.31061 10493.79308 10354.99643 1885.09683 414.6007741 1668.136278 1485.908665 211.7274981 2123.262603 1624.451615 4690.906329 2498.241078 191.4414351 8442.501654 9668.257761 5132.690282 8268.519102 11715.49359 12103.66192 6412.071608 7648.529601 5202.263147 2133.622101 549.9805957 524.052084 388.1023734 487.3518987 1210.939457 735.7148271 3144.828708 429.9776066 4577.337376 10116.0604 6005.351833 11292.72215 10683.15451 7034.913745 12724.57595 5327.570534 8970.837084 14337.43658 1256.973847 6446.385986 3754.00438 1643.06057 174.3101318 4048.041669 317.4316257 10770.8463 7-Desmethylpapaverine glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43055.58566 88089.62872 23376.20406 30654.70361 43789.85474 22222.15003 38288.94828 4241.008006 34884.31903 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.399395915 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 724.2681452 35169.50979 24831.59131 14190.51686 28859.80377 13507.23995 8853.102765 4613.672631 22004.83691 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12881.79512 4.07813e-08 28369.11909 4.07813e-08 PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1023.575394 2240.48871 205.0580876 4.07813e-08 4.07813e-08 4.07813e-08 228.8713913 644.9653107 6060.539925 38141.25986 15925.77475 100761.4141 24375.33857 143813.8339 62065.08098 161253.4575 177753.8339 128586.4149 4.07813e-08 4.07813e-08 213.626848 4.07813e-08 4.07813e-08 221.1334497 4.07813e-08 249.0606415 40.9804719 47337.59516 17302.68761 1216.755113 16735.56214 6201.284026 6279.357552 18644.19253 60269.74594 15548.21707 4.07813e-08 4.07813e-08 4.07813e-08 351.0584145 202.9029458 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6040.975724 4.07813e-08 8602.412305 192.0933508 61274.86179 1631.078526 3669.31355 1889.234867 Gibberellin A110 13033.24682 11522.9407 12251.81009 11159.06015 11000.57734 12418.54622 13954.68831 12276.51339 12130.37904 3693.669664 3971.393765 2407.893571 4650.34458 2604.919996 1458.294459 661.0314461 2035.059718 3788.672416 27956.46445 26084.59272 24391.50383 27027.32216 26941.35112 26557.37633 22872.01106 28608.5642 25081.57421 2735.4101 6154.527871 5153.550113 2714.023527 10767.81673 3118.101902 6119.33806 1722.15603 3285.866613 19397.06682 23678.96289 22928.78193 22212.63782 26712.5973 27314.40398 23083.43384 27451.04868 35690.08923 20324.77906 18633.34642 21337.79537 17248.15396 16320.51542 9028.064409 19537.81925 6285.65702 18162.93641 9R,10S,18-trihydroxy-stearic acid 4915.317359 5183.843794 5962.6538 8195.516954 5669.545073 1763.355186 656.514385 6722.143606 2747.443499 8066.804663 10282.31572 3268.450102 5324.036228 2913.139879 4.07813e-08 4036.306919 937.4035791 4.07813e-08 1509.652093 2280.67536 2866.383979 2319.930716 3240.766901 1069.804849 309.5767535 1252.409294 130.1376003 794.7435496 7004.47084 7465.203061 4.07813e-08 3661.627191 379.9445014 712.5324434 2822.575256 653.4837282 1455.349566 4250.216109 2783.06082 3542.64441 2295.917114 2307.65475 1440.842245 1228.422823 3099.468142 281.9199745 2180.754129 1759.376654 1837.892168 1929.937863 4.07813e-08 2183.124053 1291.695137 2833.564095 Bifemelane (M6) 4909.163582 3623.285048 3725.738902 3955.664623 3711.973554 4750.000787 3712.560983 4724.243556 4846.47961 838.1924938 418.7027102 360.2943404 667.5162498 333.1662301 751.5923597 180.1319844 442.806943 933.909028 7694.105517 6416.007104 6718.939323 7816.496925 7492.945098 7838.011033 6192.353025 8536.692079 7716.688004 181.5740437 668.5212266 267.2008455 204.2288096 1485.406179 775.5385046 839.4509479 4.07813e-08 223.4859086 5984.834649 6554.562429 6102.665677 7080.117313 8078.423155 6540.941701 8272.966539 7336.602055 8467.659528 5975.874308 4424.422595 6201.285451 4678.147322 4505.827881 905.9940565 5339.609531 901.3174412 6186.170277 9,10,18-trihydroxy-12-octadecenoic acid 6154.671602 6184.400691 6241.392389 8197.767486 9735.419619 9024.720954 8926.547672 3027.073758 5945.786092 4.07813e-08 377.5823003 1174.950198 107.3507651 553.3115812 459.5009335 104.3053033 723.1060429 662.6861572 5933.300489 5401.252132 5030.713208 5364.125101 5640.330395 7227.00341 5232.678874 4435.569678 3631.193016 4.07813e-08 1031.678994 1722.791447 617.0610962 1735.847454 835.9871711 681.8008638 249.816794 799.1458007 5531.343293 6202.300314 5196.253038 3694.388623 3467.634219 6639.887071 5600.146785 4141.804066 5950.091567 5913.489775 4542.440099 5566.24223 3592.088368 3904.319037 1122.450171 5633.711349 1138.186121 4822.135819 Batrachotoxinin A 4783.55509 4479.988906 4509.801209 6995.392265 9770.415455 4258.627612 4063.016317 1818.299311 1369.865787 2483.475499 3383.895779 4884.454791 3466.046697 4059.607241 3202.892618 2824.573307 568.7227268 567.0277311 12095.7046 10767.92528 7069.444311 11722.4722 5621.21703 7100.272869 8782.285863 13490.14722 10927.93261 2067.144217 2814.039393 3874.486893 2066.322156 5067.631356 6483.009796 4813.540171 8067.994312 1567.853961 7621.790367 6534.13347 6307.144472 5514.647239 12272.26734 9093.693941 4500.706567 12540.81487 16787.08418 5962.876368 8251.442305 6080.320233 4551.704483 6002.783566 4640.061281 5441.026795 4579.697313 7238.866901 5-methyl-tetradecanedioic acid 6127.528808 5957.27643 5727.465948 5910.150463 5874.654634 4488.962981 4605.290767 5672.988218 5716.744504 3548.880874 3406.970907 2804.941105 3057.24736 3009.80941 2119.864161 4804.481603 3405.426349 3687.481194 3405.254385 3167.690345 3477.471579 2874.676712 2932.411796 2551.890318 3720.263618 4647.939721 3793.945806 2744.988384 3031.054178 3718.480011 3667.842756 2870.592494 3910.645074 3740.68015 3770.730151 4125.055938 4211.537341 3252.381262 3130.808515 2677.411629 3140.359307 3479.741299 3391.916383 3953.32658 3591.088319 4450.432372 3273.850979 3455.953863 4122.909333 4324.477516 2726.349122 4292.350222 4024.236436 5356.478944 Diglycidyl resorcinol ether 1227.864636 654.2471829 1517.915162 1670.294081 1662.087161 1440.911043 914.5833574 1011.159378 1009.675952 59.29234275 4.07813e-08 47.90802234 90.47268698 43.95836436 36.21195776 4.07813e-08 405.8877202 4.07813e-08 3498.932124 2882.749023 3061.168683 3230.131225 3853.174314 3572.50316 2866.238662 3482.016358 2930.068981 4.07813e-08 38.08194037 4.07813e-08 89.06527003 50.42407061 59.00549312 45.2223789 4.07813e-08 110.0325339 2038.333232 2702.285701 2804.337624 3386.635441 3498.58615 3599.589647 3237.421864 3580.936698 4281.469077 2796.1988 1908.234124 2539.986691 1962.493945 1831.135125 4.07813e-08 2457.097469 4.07813e-08 2143.063515 Congmuyenoside A 2609.412001 4.07813e-08 986.2298315 4.07813e-08 1121.828887 4.07813e-08 2592.165097 4.07813e-08 4135.394608 122389.5054 94910.02933 84272.75622 115707.1762 73258.4357 95828.10206 37825.45936 85131.16891 113609.153 4.07813e-08 4.07813e-08 77.77837442 13.18242234 1032.272368 947.0407515 1959.450881 4.07813e-08 4.07813e-08 78669.7614 91496.83713 93848.26601 72794.46748 158148.5161 136063.9855 89482.73174 62952.56379 78562.42938 925.7826586 1156.761419 603.0623333 4.07813e-08 2057.05876 138.6402346 789.6214949 426.6106746 981.3615434 515.546917 4.07813e-08 4.07813e-08 2959.280508 501.3027101 122732.8499 4.07813e-08 119208.5178 1494.925781 N-(2,5-Dihydroxyphenyl)pyridinium(1+) 5212.737965 7516.228984 5373.187049 3608.184844 4642.169632 1833.060748 2543.126761 5957.274762 7537.347667 94.3544949 37.70623884 21.68862445 4.07813e-08 4.07813e-08 4.07813e-08 244.3657439 27.32705925 70.05049684 1902.17123 1812.593667 2312.259567 1956.251742 1075.852891 1385.448576 2892.252738 6760.081147 3960.137358 24.73156059 56.34383724 4.07813e-08 4.07813e-08 4.07813e-08 104.7984787 69.14003567 82.3460541 25.81614623 2467.590502 3348.614993 2988.665447 1240.669066 2225.448977 1699.477112 2046.12131 6925.120122 1902.673197 1271.908895 4067.732114 2927.754863 5335.739934 4834.140392 4.07813e-08 3622.590632 4.07813e-08 4027.262843 Deoxymiroestrol 1246.529111 1128.095015 1220.400266 785.2521704 1355.241828 1417.58954 874.4161689 672.794113 1008.645324 1086.064537 748.8211567 94.83441197 470.4335417 579.7274032 758.9387047 367.4493167 91.92344759 119.1545087 2384.840969 2047.889148 1427.544221 2069.514331 2489.937858 2429.634408 2332.089514 1380.873164 3033.624212 99.64455208 450.5360098 520.4000983 1024.937695 869.5763284 501.48214 403.0759806 85.58759187 367.8806968 1697.152023 1535.108357 1510.754849 1534.141755 2259.670183 2205.553679 2679.270988 1945.203658 2265.719901 1351.767136 1477.273998 1653.586956 1796.963295 1231.042741 414.4270378 1962.128195 257.792387 1079.352429 9-Hexadecenoylcholine 1371.562326 16139.79404 42630.24782 46076.66199 59250.02456 40364.10141 24497.09881 20815.73772 13995.74243 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1982.855903 689.6732187 13164.7435 10121.14001 1328.227186 13882.39619 7319.171103 633.7674365 17587.53211 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 430.6275154 1536.591387 15254.47053 17781.70221 12396.39031 1221.582814 15749.62438 411.9753119 2383.22346 342.3577299 101.0985031 727.244808 7447.362421 4748.81371 4.07813e-08 21444.53186 4.07813e-08 18088.20617 Neoporrigenin B 23925.73041 15240.70557 22687.72015 27203.52276 18855.8697 18207.53314 22183.65836 22765.81857 17659.43345 6225.666891 5985.503903 21313.12784 5537.092127 17259.81094 15830.92483 7534.808739 32296.88363 31765.41915 16969.45499 17654.69094 17181.15481 21922.7627 16806.38903 18064.50084 21592.66666 10719.67473 11445.01997 23552.45209 5728.768327 6001.865811 1284.912348 2645.559465 4733.775071 5797.711739 14112.69998 10264.93374 13729.24564 11794.7418 14338.47726 25134.20436 22048.12831 17200.37308 17322.2481 9252.188724 14052.72348 30550.83453 17539.84743 30364.78651 13040.85582 11136.98447 11763.41506 15360.93411 2723.219019 20256.99453 Bifemelane 2879.128389 2430.632444 2236.20855 1343.515745 1425.530787 3112.95815 3013.930448 1694.419782 2521.845119 452.125751 329.0715875 354.113022 488.7034415 584.1136044 634.807853 119.8932962 349.5426534 623.0512313 3274.974907 2676.628262 1573.221385 2496.626977 2190.283773 3283.068146 2932.322636 3071.440129 2586.878259 441.2159708 410.2906389 508.2577627 716.6801786 1051.445795 941.1625769 697.4275999 252.7918393 338.9499429 2441.734142 2989.63924 2174.865768 2126.837527 2798.940482 2816.480128 3107.003501 2764.410144 3116.967258 2312.907672 1665.714071 2481.120172 2511.989318 1788.845228 981.6436127 2119.576747 731.0743605 2946.400626 N1,N5,N10-Tricoumaroyl spermidine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 246.296369 4.07813e-08 4.07813e-08 6328.847174 4.07813e-08 4.07813e-08 4.07813e-08 1713.15061 17892.07687 69720.9345 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20593.10794 4.07813e-08 31753.69786 196.9325205 9505.215708 14241.72259 390.3881878 63557.79132 4.07813e-08 4.07813e-08 65.66233847 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 165.6026206 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2745.466272 4.07813e-08 4940.673593 4.07813e-08 4(5)-EpDPE methyl ester 7955.083047 4870.198081 6409.622334 7834.593576 12202.55874 4350.657276 10686.64667 5510.957015 11891.24375 1.087687753 115.8661883 0.031688375 68.27539884 47.54408368 146.428328 90.10682173 4.07813e-08 1201.616432 10417.70078 20660.23504 5741.207035 9522.287017 8968.37451 7082.249735 11689.98957 13978.09431 17803.74719 88.83304621 2.090499837 0.238760339 1.916633053 53.70185534 107.6726882 1.893163582 0.315776449 96.4601545 9367.665745 11148.94527 4659.850162 9599.510424 12381.47387 5761.095726 8391.103945 15824.62513 16398.14674 14496.6417 8295.338561 5275.368005 5640.566927 4490.346776 405.7774662 4417.369358 0.428606718 6929.449685 11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid 11056.75916 7726.670062 8548.857517 9155.977578 10492.60282 10483.35523 9748.352539 7730.578549 7876.882029 3392.065629 3716.613157 2977.252862 4647.871035 1749.732697 2734.167132 635.4665668 1015.647557 1462.917457 20308.97068 19907.52552 14431.85486 16381.6763 19556.74512 19693.88689 16765.09582 19927.46304 21569.4609 10728.89785 4599.665562 2724.480414 6799.582352 4851.370484 5972.633415 9655.660429 3009.031418 2776.244863 12317.99374 16319.27995 13445.43787 15671.13808 19559.52644 19774.61039 16630.39777 16911.10981 21432.5803 15646.50728 11946.44827 13018.78901 10682.22891 10198.47394 10609.17639 14625.26195 2736.473869 13301.59454 Quillaic acid 3-[xylosyl-(1->3)-[galactosyl-(1->2)]-glucuronide] 342.5774177 1093.750998 4.07813e-08 4.07813e-08 374.4953565 4.07813e-08 4.07813e-08 1647.667277 4.07813e-08 32712.6507 17762.98715 4.07813e-08 31115.238 4.07813e-08 28331.37989 4.07813e-08 2351.29982 40834.88753 377.4267895 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 194.42249 4.07813e-08 4.07813e-08 28705.63857 35430.66164 469.2295375 30145.91067 51784.13025 12541.7839 27310.06285 4837.341645 918.0008077 4.07813e-08 494.9428071 4.07813e-08 0.742241401 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 805.9393294 4.07813e-08 4.07813e-08 2837.130357 448.8840876 46484.47587 4.07813e-08 39665.17614 461.6912478 Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 2441.888067 963.7263999 1743.774782 1440.141616 1817.056394 1959.299971 1919.0294 584.433006 2577.585712 543.3350681 171.44529 64.6412043 562.0106913 1658.142291 410.2484844 505.3716189 4.07813e-08 1233.313956 2051.095862 1416.533591 1155.443233 1869.760286 2778.946591 2032.810297 2424.172713 1812.299517 1022.924063 4.07813e-08 4.07813e-08 172.368948 564.9392594 973.1843762 510.2564862 265.2682505 4.07813e-08 222.9947084 2701.502593 1514.108579 2360.281415 1687.09884 1616.598771 2533.468246 2562.274737 1734.751747 1346.637227 2465.308491 2564.592867 2005.62002 3272.98199 2058.322253 10923.11652 2269.621864 340.6918128 2903.131919 Resolvin D1 58662.30276 46333.0098 44703.12889 40978.44961 44785.86469 54683.31208 54292.91518 44895.59911 43800.53612 24040.07406 27488.77118 13620.19604 22781.47403 17785.49197 18652.57077 8206.577272 11188.5633 17332.44229 94236.38563 97104.0971 75249.58204 83232.81366 102599.6857 97041.71057 79094.41093 82777.38728 96905.56808 8069.854725 20275.22661 19589.92724 15697.54607 31287.07781 16592.41349 20702.91853 4520.214612 14267.51581 62161.75579 81834.51979 68825.10822 78077.09623 94725.16591 86754.9162 84865.2621 83313.6541 111825.2095 73889.5489 60944.38025 69704.35372 54577.08687 46779.95354 35752.14316 67771.04523 21966.66992 60686.2849 AX 048 13099.31299 12732.37605 5951.787419 8795.426146 6250.003766 2163.15525 11704.34493 17364.9455 21050.86135 2328.456317 3343.900012 2196.38148 1480.165989 2828.881383 1761.970929 686.5404706 1417.073402 5048.753968 6170.690536 4180.363051 4609.0698 10122.46503 4405.342458 6594.590408 15692.37212 2299.436901 2184.059376 3006.196197 3740.673505 2524.560509 1330.481658 6364.697886 3288.72745 6074.17362 4504.93744 1966.46806 10413.96557 9337.513914 6859.779385 8165.302666 9605.13092 7665.03331 4019.364942 3676.390172 6336.590963 687.1620877 3258.493452 3959.155915 7466.09426 13918.00595 7325.067604 4247.712422 1726.97498 4292.064986 all-trans-5,6-Epoxyretinoic acid 4988.524167 4144.482882 5152.299538 3230.063303 3228.414545 6124.520537 6692.072985 4938.58681 3831.187349 1383.658578 905.6038799 885.3892911 1466.859013 366.8882561 557.0301796 4.07813e-08 985.8263633 923.5431303 12457.43204 13157.07823 10470.76724 13316.61039 14689.22266 13627.64845 11807.69059 9242.866579 9500.541159 516.2493727 2066.055518 465.5281125 861.0851204 1797.787494 792.9170632 1813.23103 377.9563213 69.23769064 8945.985984 12333.36896 10558.34088 9456.076895 14365.29455 12733.53034 13033.50039 9081.267649 14478.96827 10806.60864 8472.800712 9918.874622 5898.640658 4663.946681 2883.856404 9997.366651 2038.721462 6397.900465 4-Hexyloxyphenol 2058.654694 1626.481642 1586.698468 1503.585144 1411.629757 1503.431919 1659.607421 1482.98976 1196.057441 1045.901954 791.9773726 564.7621872 996.241153 830.6275353 945.4886815 674.4922694 845.0467021 767.1057414 1906.04832 1441.116588 1232.378753 1528.180691 1910.886251 1794.301886 1610.080786 1734.77075 1561.851632 575.4190232 836.8067978 669.3316508 747.321264 947.7681241 886.1465082 806.2997289 858.1727698 880.8992178 1347.998304 1772.213528 1328.592381 1257.266903 1601.379307 1583.25415 1848.265549 1969.485157 1962.163856 1474.637411 1393.645837 1474.102792 1441.004647 1131.445685 726.4378115 1554.161595 1011.543377 1684.895013 11'-Carboxy-gamma-tocotrienol 23229.62577 21263.81383 18369.81875 16037.53262 30666.88671 16967.50865 15249.27401 27169.56356 18225.93023 362.5083652 269.6627754 957.6985245 261.9783727 1566.014188 2239.153337 669.093436 262.5881574 15209.48386 3919.74758 3310.531413 1296.935693 5339.848998 5158.131195 4348.682762 2878.69336 1830.008569 1851.388291 187.5736308 98.11555078 252.8594997 64.41986464 126.3458335 111.3407692 25.58333067 75.4461572 1133.761668 1993.540607 475.2043361 675.9992673 4226.421864 6488.378947 2657.056928 3867.287649 2566.72251 3123.769928 1576.036087 1434.725147 971.4659054 431.3126219 331.7774559 15.52511818 1586.873773 150.5866428 9687.286241 Desacetoxyvindoline 4391.352665 343.4087887 3429.289121 4538.489073 3665.82522 4523.370074 3225.156943 2232.311536 2121.37264 140.6467763 118.4302209 511.3190771 127.5659648 1047.462635 656.8388734 188.6123521 22.78949537 26.08527433 7734.871657 7986.375303 4415.554975 2856.043543 5448.824142 6055.390223 5598.100247 6110.224751 2573.283142 9.083899143 4.07813e-08 315.5737172 4.07813e-08 248.0633107 177.7321599 4.07813e-08 1.680646891 4.07813e-08 763.3866346 3849.104134 1650.120686 4654.264423 3237.252398 3557.802477 7002.049563 5356.86597 4908.294 13856.33707 3801.558636 3041.809247 1572.919257 350.7743395 36.1560557 2194.587786 5.647290077 4510.464686 15-methyl-15(S)-PGE1 298.1134352 617.7070298 451.4864306 1242.111626 1414.299083 1024.376541 1082.633238 437.1242141 4.07813e-08 4580.952165 8484.059594 4535.396202 4543.727849 17457.5335 9939.489139 10247.19224 24059.64223 4811.798517 1087.062287 1139.860737 594.2629107 1136.988776 1956.470007 1776.467099 1525.947525 569.7989242 669.4423552 4791.052478 3829.310994 9677.047925 4438.510431 8470.624867 3831.598945 5426.371251 14140.04343 2776.78229 516.4491714 758.0620321 389.105857 755.0482601 1401.240022 1103.455918 2151.337901 864.91864 1071.321657 1027.414827 972.3575653 871.0833245 572.7214622 233.8874425 5001.333681 145.3936493 5475.97658 957.9246862 (15:1)-Cardanol 703.8862497 779.3066901 1338.446889 1775.451793 2517.601178 1232.142366 1255.654094 1508.050856 1361.209885 4.07813e-08 4.07813e-08 169.7661344 4.07813e-08 4.07813e-08 54.77159104 4.07813e-08 4.07813e-08 209.0537861 2463.774051 1565.9052 1641.011111 1612.487246 2578.018741 2551.323164 2200.869093 1791.734402 2295.680502 236.9622425 174.763679 1187.006891 425.897843 1056.686049 650.499465 295.0398474 368.5221973 91.30869537 1230.037435 2033.03048 1681.469923 1478.081979 1955.938913 1624.618006 2062.853084 1812.095772 1237.233527 1697.592973 1729.259491 1819.163751 1525.444353 1776.568328 600.7853192 2518.087013 223.2747358 1497.528653 (+/-)-[R-(E)]-5-Isopropyl-8-methylnona-6,8-dien-2-one 3122.325314 1953.665967 4237.267516 1401.404475 1733.711336 3689.726241 4788.980886 1886.808255 1794.754685 327.8771291 326.5177036 171.1690391 228.7276459 229.9094517 131.6716214 524.6011553 392.6390327 316.9368584 281.8260824 571.6336801 262.5019518 1365.601081 925.856394 690.7211481 711.5653738 931.6924229 705.6038792 182.235065 208.4664165 680.2080557 479.5157435 324.8706835 536.8918503 276.6411715 689.2600057 375.5627912 3364.886464 550.8762242 1046.729039 676.730681 858.8952488 665.5516121 764.1414501 377.6024491 354.1871915 650.5529028 747.7697991 1803.207722 2428.491126 1455.000239 851.7052968 1054.971646 896.0289548 2479.977332 Dimethindene 383.4066595 4.07813e-08 126.5209907 111.8839082 4.07813e-08 4233.460227 1846.249465 170.7082015 4.07813e-08 6.939547934 63.24986781 115.385351 30.18021272 64.59264345 34.91232599 70.11937222 392.5737793 238.2206248 1350.655336 109.442198 659.8394355 1703.202869 1342.951705 1970.985903 609.9952788 1096.038848 2872.294327 26.56041618 8.928944334 371.2551672 37.79337064 108.7985732 7.75658564 51.98519444 69.75704906 220.9690081 6528.898142 1801.831033 2986.145679 1725.858783 906.9287646 1858.935973 3614.928153 1777.789637 292.9221453 451.2811237 514.5165087 3024.438189 1471.06244 2316.056783 661.8540239 1061.570586 1232.134738 1844.329067 Geijerone 4136.74955 3203.339921 3131.640677 3686.744556 3771.197289 3162.140542 3394.470409 3187.773774 3328.202011 1855.556146 1874.331405 1730.761867 2027.565473 2030.295813 1847.771867 2288.156335 1733.066045 2126.778547 2479.538801 2461.670208 2353.766583 2178.736342 2384.262475 2230.081374 2359.775317 2608.302693 2450.168731 1787.216489 2062.468648 2031.657731 1927.573782 1682.80617 1897.064952 2071.757776 2338.819671 2498.307313 2779.345544 2495.312822 2253.020835 2601.179811 2209.280332 2559.468282 2475.728199 2263.661557 2510.929218 2257.509459 2255.50085 2394.006206 2679.745188 2705.352353 1728.147557 2582.999896 2094.79965 2951.867209 N-oleoyl asparagine 12360.11227 8683.715087 6729.020421 7054.955177 5395.698447 4832.558705 8045.921033 17270.10321 16600.689 2078.303147 1805.457241 3648.619544 1731.905909 2331.316495 2674.785682 128.8261686 5617.245632 7073.709652 9556.596372 7547.706842 4780.992921 10977.6372 8884.720583 9169.038057 10255.79051 8498.877258 9962.406986 4057.625497 2655.431524 3544.482243 1508.566846 3746.232926 3053.956642 3071.187238 3685.240082 1677.019049 9595.738292 11968.83594 6891.96347 10385.1758 11482.0933 8666.049803 8314.970486 10887.15329 8705.13288 6549.971978 5638.456504 8620.328792 8620.914063 9837.978546 6252.053736 7485.70949 2023.841804 9130.495582 8,8a-Deoxyoleandolide 8156.260903 5217.935453 7505.470658 11046.83741 12491.83274 17785.79794 11797.11432 8552.953641 7109.905136 64.96492435 466.0098087 160.9084389 643.8130822 424.0449779 1076.14599 106.7928751 166.586752 552.4641969 24203.73491 25270.33913 16782.55672 15586.05499 21168.54353 21423.85267 15206.89178 14335.9116 16187.42176 11.11735363 82.24276337 449.1645198 26.27697435 645.099173 110.5623163 78.94094162 4.07813e-08 400.935272 10721.54497 17076.18294 14959.97605 18261.73731 20027.1785 21252.98444 17610.82091 12410.01457 15647.7162 20174.80054 11780.98498 15543.03297 10649.85408 8392.66557 600.9348384 14415.91213 42.45828645 12911.80444 9,13-dihydroxy-10-octadecenoic acid 154.4879156 589.2128102 245.8261002 139.3845228 247.8639346 487.9275406 859.5228258 1253.341418 4.07813e-08 1993.233131 2607.211254 2276.840381 1648.174165 4261.544768 3811.670419 1609.776795 8430.704832 3926.44906 4.07813e-08 4.07813e-08 73.97438758 84.78461654 4.07813e-08 4.07813e-08 4.07813e-08 104.1926629 4.07813e-08 3667.385157 2363.830128 3292.02415 3889.077572 3891.462162 1483.016314 3254.734682 2850.123499 4131.600191 227.8056912 4.07813e-08 4.07813e-08 74.27810219 4.07813e-08 83.21789847 90.55838245 120.2982945 99.54793132 4.07813e-08 4.07813e-08 334.0968125 298.8154131 320.0795574 5271.039031 513.7512359 2759.083469 334.3558096 Dihomolinoleic acid 13144.49671 5342.257365 4394.70538 9343.619645 2077.126423 883.8005538 1808.339298 895.0019078 2842.350921 62.27230382 4.07813e-08 4.07813e-08 479.2324401 58.8155136 4.07813e-08 46.14300814 4.07813e-08 4.07813e-08 9291.514349 5208.167888 2424.051858 4231.23517 6196.383398 66.35424575 3194.320186 4647.026757 2035.990542 4.07813e-08 4.07813e-08 389.5957239 4.07813e-08 4.07813e-08 649.3013979 753.8850165 6.782348606 4.07813e-08 7397.998908 8978.58861 3152.922755 271.7384139 2520.402466 6122.578414 9.683985484 4211.798171 5361.875469 3178.584045 3217.560678 7766.664893 4676.554955 4549.091563 7.164286734 1952.740225 4.07813e-08 2571.093075 7,21-Dihydroxy-6a-methylpregn-4-ene-3,20-dione 17-acetate 33861.49917 16039.63364 42421.37758 19451.84459 22877.60874 18994.82372 10767.40141 16227.37338 17517.82604 1606.773127 250.6886719 1683.117209 2181.991893 1938.752813 4835.342336 248.5298825 91.54441518 8288.93432 8631.732111 10187.4507 8438.132372 7493.429958 6852.137601 7938.126269 7311.262859 4099.722662 5785.832775 328.7555726 1769.616934 506.6637034 4361.057072 537.0860278 486.5239379 2673.792116 295.3779955 1274.950241 6251.293919 7374.685919 5760.792776 9158.543109 8709.029889 7011.409758 6939.545054 3424.646327 4306.453219 6394.875694 5401.205351 3001.52768 3622.700249 1200.891859 6417.90795 4155.730241 5829.470403 8821.89701 Diethylpropion (metabolite VII Glucuronide) 20853.7979 14893.69032 21774.2782 8485.413298 10230.65609 27168.41696 19608.87975 18449.59861 24329.34919 216.429285 137.8560807 1210.507486 226.5200473 714.3156589 1209.206574 156.9299606 1549.510976 1234.416827 75757.64772 64624.66576 47523.26725 41527.5024 46040.8342 31369.2548 31208.14555 14457.33337 18588.39408 103.6508835 260.1735225 4.07813e-08 10.98289378 4.07813e-08 4.07813e-08 329.220693 134.6973044 4.07813e-08 31485.71558 49682.3888 51420.4447 40722.39111 42976.33801 47903.82285 23435.36088 12440.98753 16534.10585 45714.69365 43321.46724 52562.79204 31788.54674 18422.42947 2180.566886 54009.23954 13.50661012 23028.51771 17-phenyl-13E-heptadecenoic acid 7579.107369 14962.94402 19744.23314 4869.604426 3045.926422 22991.64756 5751.972682 42059.492 41133.248 4.07813e-08 4.07813e-08 159.1493575 4.07813e-08 463.5973558 1048.995548 4.07813e-08 244.5962178 750.8826279 64992.34939 31368.26553 51789.51934 19370.68248 16032.1878 354.799775 3200.828805 245.496472 246.5748585 4.07813e-08 136.2887037 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 469.1345824 426.796343 4.07813e-08 28832.15545 20108.80832 54125.11939 41723.82549 10379.53353 16385.05464 149.6610111 4.07813e-08 99.60215424 100533.9041 73367.33636 35743.60599 32026.0576 12767.65059 2274.875545 46706.86187 317.5133227 12443.00422 12alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid 841.5549647 866.0124025 271.3352965 501.4131047 377.4268309 764.5128391 515.1789678 369.7004324 137.3507805 1540.735019 1594.21966 5043.24144 1123.40578 18965.878 6133.533641 2964.491776 14120.26823 14894.02823 143.1139163 4.07813e-08 223.3575894 4.07813e-08 4.07813e-08 217.683289 4.07813e-08 255.0250843 145.7815302 1047.497585 647.7227334 744.5092051 1615.574388 536.8632584 625.8810863 1032.650039 2223.718321 1416.985612 980.6153515 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 869.0127488 613.4925568 4048.702682 877.7220288 1194.422917 636.2942562 337.9354593 449.0200485 Aldosterone 289.6055615 1095.915994 390.5675005 2044.336147 730.0373138 1402.916674 518.3000954 556.081992 284.4459266 243.0702982 223.9860474 294.9322518 246.7901249 150.9015613 56.73584345 68.21089635 123.1858086 182.0414781 2205.980236 7369.690701 1264.081747 6305.874754 5950.645668 3017.535587 1026.638368 301.1993997 758.381412 126.3477389 224.5662936 226.0740457 55.17800835 201.4805002 174.0256563 288.3260682 130.8023381 174.0640616 1187.775969 9291.017904 2309.560621 2884.742666 6318.890705 5757.471537 2817.771001 662.4852383 646.0860802 5525.641485 3013.44348 5492.467716 1359.543038 730.4527276 364.5406488 2900.197946 36.63363436 958.2984785 LysoPC(18:3(9Z,12Z,15Z)) 290.6447556 836.6230024 842.0787061 2561.118644 2013.335153 1434.201974 226.3300772 749.0094404 236.9036609 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.11540264 4.07813e-08 5.637444687 4.07813e-08 339.7890938 4.07813e-08 9644.824726 1157.108489 2279.500219 4.07813e-08 4.07813e-08 1307.667969 220.9077071 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 162.4220733 4.07813e-08 4.07813e-08 872.5375074 4.07813e-08 4294.539256 476.6565128 11654.66014 1666.866244 315.5825091 3639.001523 4.07813e-08 1245.131914 4.07813e-08 158.0454471 543.4563855 168.1072361 2028.41895 4491.447024 4.07813e-08 554.515356 4.07813e-08 4.07813e-08 3-Oxo-delta5-steroid 1142.986151 4.07813e-08 880.5038574 398.7836924 1790.282075 1904.877898 441.7983363 846.4888818 2244.218427 201.7177323 50.87424871 4471.285498 4.07813e-08 5747.025821 4004.904241 1083.54387 5736.192098 4725.718083 440.9711297 392.5956915 955.0453561 1004.577158 538.5239637 985.4560014 66.55760882 2800.683046 8458.695053 1824.795085 2748.762299 136.8534235 2545.123985 480.2253339 70.191931 2609.677619 3116.434386 849.9261506 1201.207488 117.9913674 854.6119553 599.1751728 809.3247956 296.8680712 1040.787078 2777.26155 758.1709688 1749.309685 3218.900881 2515.243214 1825.862696 355.0908327 819.930224 2161.795415 4.07813e-08 1214.535009 3-Methyl-2-butene-1-thiol 904.6288264 783.2799694 928.5313615 855.2224028 1092.666905 524.7350439 683.0755259 407.5235174 481.6696841 492.6346443 418.7247495 126.5327179 453.3646014 177.0983397 193.3586537 403.2373397 58.20584116 158.9910892 314.9317636 560.0299948 321.9000849 367.2361002 689.1602586 741.1087256 825.5186624 885.5238407 599.7613668 107.7124479 416.8831286 780.6691098 542.759129 487.9227702 476.3348442 314.8466912 156.9830338 390.2987199 384.4325753 625.2865682 536.2584096 424.1057259 427.7601624 374.3716509 669.5488049 762.4259458 755.152102 367.6118293 358.939495 378.9427814 261.2956982 461.6661083 284.0235715 412.3084723 685.62519 583.2855663 10-Acetylpanaxytriol 3100.497468 3248.823559 4086.72397 5972.41752 3948.390735 7411.879403 10143.83325 1737.506211 1475.462135 174.0425086 152.8881649 84.98430485 235.7928386 144.792521 63.85654387 98.07076989 78.21151016 4.07813e-08 6771.274357 11923.69299 4536.341703 8050.391018 10985.83806 11071.82898 8867.632127 1332.718489 5516.072775 4.07813e-08 253.5373837 227.1796721 160.8779041 213.2321102 133.8477793 153.8991663 4.07813e-08 114.8102289 5314.540557 7842.768685 5338.441341 5452.178569 8488.676291 9840.089141 10846.74028 1697.169895 3154.920869 7195.588822 5818.263367 6585.947429 2889.454098 1856.834322 146.6729297 6798.439776 188.4228744 7226.850685 Cortisol 2136.289049 4820.165201 2886.608183 4765.107261 2660.760999 4487.290742 4839.047842 4.07813e-08 3768.608767 108.2146051 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 83.86307046 4.07813e-08 4528.691617 14295.36501 5548.464706 12567.24838 16598.73174 6592.793139 4694.339071 124.358554 948.7507119 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.4699244 4.07813e-08 4.07813e-08 3587.285796 18355.57777 5611.80331 6592.469806 14213.70351 16635.99367 6159.649465 473.7020832 1450.054967 9831.370456 7171.298836 13973.36263 3936.812577 2482.763555 4.07813e-08 5514.705111 4.07813e-08 491.003442 Acutifolane A 4.07813e-08 4.07813e-08 252.3090664 4.07813e-08 4.07813e-08 2252.726106 2412.756806 915.2514954 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68.54146773 4.07813e-08 374.1587836 4.07813e-08 83.00336255 4.07813e-08 494.5207251 976.5280995 1234.382485 2174.425643 2560.747404 2664.439803 1847.298027 2181.303057 1936.027446 4.07813e-08 4.07813e-08 4.07813e-08 193.2684125 4.07813e-08 4.07813e-08 984.3634668 4.07813e-08 76.98575206 3323.202626 2257.628038 1634.839428 2396.923772 2748.264615 992.1385512 2028.975043 1588.969732 647.3628899 1310.482759 696.4219643 2255.072365 1196.841996 1114.278197 1287.533031 1335.656367 411.2528569 1090.588243 Lyso-PAF C-16-d4 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.63672721 4.07813e-08 4.07813e-08 243.513679 4.07813e-08 4.07813e-08 1095.549812 1590.841414 4.07813e-08 6271.613549 1797.185505 3100.347305 9739.173312 8296.103891 144.7515245 4.07813e-08 124.5363236 4.07813e-08 559.2906893 62.05694194 4.07813e-08 153.1330459 366.0691395 2094.81312 1620.915003 5958.387983 2872.554086 2686.051732 1226.49353 2533.864039 11058.17193 7313.355439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 591.2713616 4.07813e-08 146.266382 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 404.7826587 4.07813e-08 464.3024131 4.07813e-08 (+)-trans-C75 11517.02296 10691.50239 10057.98651 11247.0454 10021.49599 9034.048525 8675.692527 8630.774205 8932.376131 6601.291499 5597.950792 6065.547337 6466.612967 6366.119601 5434.695976 7757.121557 5818.162188 6886.45605 6992.695119 7529.807221 6698.572735 6953.957725 8097.48806 7070.028478 7157.179707 8278.680572 8448.542243 6155.638184 6610.307529 7257.248583 7256.079414 6770.524705 6560.689605 5749.584881 7956.021258 7051.977254 8184.270811 7612.39644 7139.179802 7507.224509 7076.915684 7825.359072 7244.178934 7795.678607 8076.972767 8658.934444 7914.510511 7622.077317 7958.190226 8108.943008 5516.147955 7777.136685 7501.5754 9369.741212 C22-PGF4alpha 4211.148968 509.4963912 2115.773634 2283.828382 1092.494343 5458.822997 4143.026098 3373.379607 3615.992693 232.5276922 4.07813e-08 107.6599097 711.8467941 4.07813e-08 172.7279638 4.07813e-08 1524.924809 254.3247572 15203.98083 11790.42795 10050.28943 8089.472183 8145.467758 8894.759148 4440.43984 5003.817102 3139.917772 4.07813e-08 132.7712973 934.7158949 154.2650602 249.8730353 4.07813e-08 459.7699812 4.07813e-08 468.9089597 4855.066004 7179.983167 9562.392627 7739.883173 7709.957532 5338.191709 9108.009491 3165.600528 5195.64156 18819.04598 23362.46999 14100.69698 6500.937281 1819.458743 615.0157252 11301.2673 1076.420867 2710.291516 DG(8:0/0:0/8:0) 163.6801269 2165.750486 7172.503065 3731.197331 23723.36652 4759.705423 186.5098957 137.9603881 4.07813e-08 3472.920571 978.5276294 4.07813e-08 2921.477024 4.07813e-08 5615.69448 193.8091107 122.6837546 4.07813e-08 2069.425817 1558.481344 1024.280261 3537.140654 3567.22945 2681.429181 1663.248277 1561.319819 1435.520382 716.3291291 308.5797217 85.51021145 456.0758903 4.07813e-08 3695.338526 7644.789697 118.0367791 4.07813e-08 1833.134318 1105.595456 1444.135612 1270.065857 578.7206864 3452.676553 1013.49594 1322.226235 2940.556345 122.9305735 528.6101959 4.07813e-08 463.061826 1069.194778 1072.500063 1399.06469 2421.90278 4.07813e-08 Avocadyne 4-acetate 474.8399505 314.012662 4.07813e-08 4.07813e-08 230.6408467 175.4392229 425.2585831 939.268394 669.9514274 2710.79984 5581.590279 2570.429584 2030.089634 13024.48205 5790.201391 2449.561359 25893.32405 5965.971579 308.1624001 4.07813e-08 147.7946703 118.9503853 4.07813e-08 4.07813e-08 1709.984929 106.3685734 98.19983111 9849.239028 3821.152135 5316.456344 15179.29446 4825.311402 3452.62293 9788.717873 4900.435566 7218.183816 4856.981741 195.1348026 183.5852954 4.07813e-08 4.07813e-08 1018.252303 4.07813e-08 4.07813e-08 233.7719096 4.07813e-08 258.9936908 4.07813e-08 673.9790362 1331.520363 4949.953019 277.8103247 4135.656726 1177.758222 5R-hydroxy-4R-decanolide 12437.19194 12906.7743 12841.8453 12513.02716 12458.36174 10029.75194 9617.579343 11469.42897 11465.84874 8681.837437 7332.415926 7346.260327 7969.254451 7878.566257 6138.773467 10013.90012 7921.184085 9227.730029 8406.731992 8024.584615 7981.944493 7862.533867 7310.81912 7301.683148 9646.198632 10856.91844 9684.473149 7864.663218 8052.935143 9552.519226 8983.590556 7131.772404 8883.731452 7403.995078 8188.442328 9808.870932 9688.337256 8086.524206 7991.915942 7433.036274 8407.929759 9117.998119 8692.999334 10741.45004 9541.801394 9195.782562 8162.147318 8161.127112 9967.826241 9924.730238 7576.090652 9407.94931 9784.150535 11844.83687 3-(2,5-dimethoxyphenyl)propanoic acid 1959.045383 1786.824781 2138.709054 1928.686566 1881.266589 1671.005869 1169.351455 1313.918319 1441.492804 1164.80576 1225.718755 729.4581534 1010.366956 1541.19249 1148.665191 1359.686221 995.4630619 1111.100761 1089.192226 1084.916381 1049.386736 1556.229309 1054.635853 1702.58627 972.5033623 1047.084061 1185.337184 1167.948203 1008.365234 1467.314935 946.6066112 948.481344 1151.262606 722.4148408 1451.701423 1129.661478 917.5339433 1319.590915 1566.244694 1291.370002 1126.382356 1474.557568 1050.843033 1840.973883 1292.301034 1366.123802 1438.744612 1546.420775 966.9137563 1241.844952 1403.277684 965.7473235 1296.559323 1008.45882 1,6-Dimethylnaphthalene 695.3613929 1364.193926 495.7559807 576.1198513 318.0647143 444.475349 660.038754 1372.168443 1426.816884 64.73600454 4.07813e-08 88.05396019 232.9929877 4.07813e-08 106.3275279 4.07813e-08 99.27369486 183.9367624 4.07813e-08 80.06812343 138.4514403 31.45690094 4.07813e-08 204.9912544 149.4707225 4.07813e-08 60.82015196 46.30036366 123.9062356 4.07813e-08 155.7583507 141.7863021 4.07813e-08 4.07813e-08 34.40171543 534.8080244 176.2029524 95.0536505 209.3138754 145.6623805 4.07813e-08 154.1539656 92.04816837 4.07813e-08 56.96011872 212.6641095 1180.55939 303.3119285 386.7828401 492.4613415 4.07813e-08 117.0607794 4.07813e-08 209.4279111 Mytilin A 28226.69759 30059.7219 42932.85715 82081.37479 70765.34602 42835.94825 54892.98457 23471.99983 24928.96464 10377.61407 9228.757873 11573.42236 9813.476526 9709.965581 5293.064287 9828.538779 10500.92932 10042.62974 48123.19382 35599.39175 32058.54311 36974.13127 51133.97413 34770.14001 41429.84958 26151.7887 41907.94504 9273.11542 8832.384777 12387.89237 7546.064579 8583.060379 10353.62139 2598.864649 8719.828228 11893.73798 36259.66871 40549.68035 38519.73773 41520.95232 40692.31753 37278.87934 41869.72881 29207.95397 27056.36666 23138.20733 26755.52327 35427.27822 35049.30278 34719.50068 6308.818202 28467.82367 10422.62298 45556.50503 2-Amino-3-methylimidazo[4,5-f]quinoline 3140.593629 2178.771082 720.9303819 1235.413618 1669.163301 1802.179703 2938.199741 4.07813e-08 2705.494634 3388.602699 3557.416824 1702.11356 3319.764259 3335.259503 3825.61663 3759.345029 908.0546772 1968.920244 6715.034428 5025.230341 5095.727478 4518.24173 6424.853547 6385.804236 4972.840191 5441.12487 6454.691939 304.9958094 3372.413789 1204.677711 2061.280812 4.07813e-08 2540.489582 4.07813e-08 383.2860606 2582.504554 4.07813e-08 4533.549923 3593.779448 3286.090593 4093.896987 5836.612517 5313.80141 4537.656081 8122.95892 6606.650562 3662.164493 3151.17638 1633.333051 593.7406377 4.07813e-08 4381.13165 1376.706176 3650.499941 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline 10445.0543 5903.220922 9428.278561 9782.042887 8307.332227 8696.607674 9932.254115 5690.657253 6419.013165 2676.586476 3307.836219 2789.539267 3985.663621 2231.097186 1848.991501 1444.116725 4.07813e-08 4.07813e-08 22191.19055 18018.83761 17199.58658 15333.34865 14048.9745 16100.01165 18214.45576 14554.97064 11726.06591 1047.500264 3121.548101 2668.731567 4.07813e-08 4313.371764 3119.725422 3637.801972 4.07813e-08 1327.281228 10254.5768 18273.91314 12458.14106 12385.87822 17261.45359 14672.23782 15136.96084 13930.46655 22670.48993 17347.55319 17478.62241 11739.396 10716.08893 6925.742823 6427.561653 13542.02041 4680.987483 17671.74336 N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enimidic acid 5700.835324 13503.69619 6838.756361 6577.680027 6956.875547 3403.907551 5354.986912 7083.991113 9479.422698 13404.92001 14078.10235 9603.055093 11959.61351 12209.49664 13298.42573 7787.169898 10556.19413 12507.10609 7632.017527 2309.21088 18951.03977 3266.66502 2304.94001 460.1041495 1947.711533 3227.189803 2588.522519 24486.86918 24275.45476 19813.39869 15407.72915 28364.17548 18332.515 13069.46976 12868.04253 17053.62744 9850.24307 8684.969257 26009.48657 8484.329573 3917.573067 3506.506955 924.7489033 3072.224341 5080.72555 1313.336796 948.1714434 8239.684127 14361.47763 16114.41567 25072.72848 12267.60546 37971.88209 4653.833687 N-Acetyl-4-O-acetylneuraminic acid 3530.758944 56141.0784 3407.352292 8719.114303 4159.156059 1625.127052 6484.27666 6645.866518 4.07813e-08 7674.102099 3799.525479 255.7680291 8365.212233 2159.140774 3167.197902 4.07813e-08 5325.756136 5056.579579 1799.331663 5744.539464 32880.75605 28592.97006 36304.38577 1423.088068 45388.50508 5835.577247 9321.014062 2212.993148 3376.90519 748.5428457 2330.839756 2923.399156 1926.158495 3627.30284 1548.075706 1298.414289 110275.0856 19560.4664 93563.50539 31989.62662 25288.07746 58394.06036 2198.172259 10819.21797 30647.83327 23227.89857 4.07813e-08 1594.047941 47282.33561 25547.08633 5676.159909 8231.748144 1573.049401 11687.62685 Naphthalic anhydride 1262.815789 2593.392628 2356.591362 1842.706087 2920.024687 2503.022389 2674.353356 980.7803881 1161.319083 1082.035379 1279.716639 1256.366442 1197.980959 1358.686267 1058.433522 2083.411158 1492.222174 1205.079322 1143.582303 1220.818305 858.939617 1852.766172 1415.991377 862.2630189 1699.825608 582.7553156 1461.435591 944.8133107 1605.918863 1569.587939 1020.276436 843.0299784 991.7641025 947.4328244 1770.555263 1823.702782 2386.836469 2089.609329 1838.683024 1003.956044 656.2969091 1464.526797 1080.782308 1363.926399 2012.279702 1277.08329 1028.897203 926.3874591 1051.595814 549.083323 776.6841867 851.1186714 597.3744625 2417.874287 2,3-Dihydrothiophene 15150.10058 14234.05476 8134.192181 10056.33665 6609.499941 9265.042683 13784.17658 23874.9088 32753.50292 4230.859057 5095.106742 8306.305565 4723.065041 3644.703362 5297.008683 4771.329752 5606.270292 10996.95794 3953.468469 3613.2945 4444.096898 1732.244918 3393.618611 5064.582819 3529.290658 2617.868785 4330.342827 13591.763 5492.305657 5716.724058 11552.29682 5527.397185 6908.296958 5184.225053 6007.187827 4828.103661 4724.354088 4596.118684 5804.03688 5714.335362 3813.982103 2918.390285 6037.976627 3407.315963 2031.678134 8141.528818 10139.11856 10719.07643 9554.543887 12649.26646 3805.350709 11923.27911 11989.04098 7705.174061 Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside 9806.22731 20277.83685 8469.343301 12025.11662 9188.787722 4648.589938 9122.443067 7331.899249 6077.993471 36667.12642 19026.64715 19056.78217 34683.089 17727.3146 29039.39618 9197.460525 25569.51027 31088.22367 16841.92612 7958.261155 13010.75382 12789.68392 10564.3112 6211.496391 9792.97137 15197.12969 10279.06667 22251.47118 20321.39522 17869.70091 19304.254 26259.6708 27815.30377 33513.45014 11594.16741 21952.86195 19782.47553 16596.59175 13639.19077 7267.656033 8482.124607 14818.1006 5356.391289 10709.11306 14691.72907 4461.63621 5639.42383 5228.56494 8696.401595 17267.59559 29976.54282 9201.62098 23749.02494 7738.208946 N-(3-hydroxy-octanoyl)-homoserine lactone 6237.061834 5848.466931 8920.684817 5375.725681 8819.30986 5926.927594 5338.073792 8421.417439 3871.722086 3857.868344 3787.689867 3513.249335 5297.98388 2581.334523 2497.512072 2407.260019 3713.778711 3210.551825 19654.34408 11852.24219 23030.60103 14051.88023 15622.35427 9473.337188 10609.50831 21059.73276 21601.63394 1357.282472 5503.318671 3196.719949 5427.755814 6153.873136 3820.956056 6084.36055 3042.937349 3503.457771 13418.93694 13320.88442 14320.60968 15044.72778 12530.3961 18142.67063 6974.216862 22051.14064 16420.79058 10384.92896 7913.779056 10879.89303 12817.86598 15725.39316 7119.235233 15876.1039 6872.615692 5585.128202 zeleplon 2906.26361 3213.695702 3388.248731 1698.583287 1133.154862 4.07813e-08 1168.533677 811.9589538 4.07813e-08 22210.45425 14168.51197 16261.11898 26018.92444 14363.96675 12288.13757 9748.396848 14951.51859 20873.09711 626.643599 4.07813e-08 432.0368642 4.07813e-08 1044.903028 1143.300295 1912.943515 4728.499445 1378.831686 18833.286 18772.06162 19959.48972 13259.07373 25363.74242 16674.41844 24484.45738 11510.16412 14185.58902 7747.231607 972.5784076 4.07813e-08 4.07813e-08 778.7641478 760.2589016 483.0820657 1998.988536 2004.846807 4.07813e-08 4.07813e-08 836.6463458 1237.693789 3713.560679 24112.32337 2331.096937 19162.48638 1623.546983 2-Fluoroethcathinone 2306.215479 2798.703925 3380.329086 4562.362694 4498.180621 2896.521391 2762.524802 1302.641127 970.3066904 1494.076989 1443.795142 2183.585975 1325.345542 1682.894584 1730.628521 786.0905837 4.07813e-08 313.7041152 3365.442335 3535.532218 3289.533439 2154.715071 3127.56133 3459.601191 1829.169651 2877.940366 2468.305776 378.8913299 647.3405385 1152.787513 613.3634087 823.6542573 905.4281816 1862.997948 521.324114 1116.511311 2495.534967 3392.423008 2412.382128 3401.306227 3045.492209 3126.735155 2967.741403 3132.787267 2887.412045 2781.735248 2056.048212 1268.787637 1741.5059 2181.886746 815.1674641 2328.344929 1392.287366 2470.392973 ethotoin 1653.04843 834.067528 1573.694919 1135.186063 1028.679951 1834.636038 1298.001002 889.3277802 301.6438852 564.2734734 562.9318371 327.8251679 628.7425052 261.6203792 778.2953685 173.0765225 107.7504782 421.7207518 5135.226369 5059.828981 5705.223721 4437.755744 4297.318352 3377.982787 4506.847616 6690.901149 4667.899451 1518.468297 1240.002886 355.3433806 1263.409394 1328.737286 832.1870264 2212.857842 505.7522892 200.6021821 3262.681002 5782.963463 5401.237921 5375.255387 4053.693553 4547.296938 3472.008663 8549.159357 6042.504078 4107.358544 2216.13987 4185.013652 3721.399313 3598.692231 1625.038313 3757.733508 1313.506107 2406.635974 Deoxyfructosazine 6237.567187 6823.129558 8705.857862 8679.949354 8013.656794 7427.586237 6918.216118 5133.175731 3214.719711 3752.170509 2416.766 2356.310662 3279.990859 1093.908613 2326.25147 879.8324078 382.8210167 596.2507997 14159.30704 11769.89691 11822.17757 10898.06633 19565.9489 13381.90662 14137.51157 14266.53786 14374.49372 4.07813e-08 971.2410359 3563.660161 1015.593623 4535.007919 2086.500313 2752.505673 268.1064659 2323.846835 5763.655508 10000.47433 8862.319694 10944.37856 12023.73832 16664.40898 15275.07248 15233.24081 14764.88213 13050.00792 9200.325533 8024.235052 7442.354825 6855.795872 6207.308703 8167.663666 2403.854048 10342.45122 1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 4073.181512 2559.112662 3702.4633 3929.950408 4765.570116 4225.896796 3609.02794 2880.887753 2909.902828 4.07813e-08 4.07813e-08 178.1702138 316.5086365 336.696642 259.7607626 4.07813e-08 4.07813e-08 4.07813e-08 4742.920643 6709.037537 4547.13081 4499.484846 7924.717552 6133.318814 5382.317822 4225.689106 7315.901124 4.07813e-08 4.07813e-08 176.3388949 4.07813e-08 4.07813e-08 4.07813e-08 207.8009516 4.07813e-08 4.07813e-08 3138.315822 5144.12754 4092.707532 5379.33294 4801.884764 5587.209904 5916.554458 5433.095585 6849.001653 5104.241308 4770.396981 3972.501595 3588.471693 2640.892143 4.07813e-08 4312.297446 4.07813e-08 4481.085065 N-Methyl-14-O-demethylepiporphyroxine 4.07813e-08 4.07813e-08 4.07813e-08 141.535095 128.9177687 4.07813e-08 123.6699981 4.07813e-08 4.07813e-08 27351.32562 19399.11584 14918.01049 28169.8189 9665.044262 18216.83418 6543.559253 10414.54985 11423.42303 448.7564512 290.2677381 875.9342682 293.8866001 635.2414017 547.5277308 88.92752149 4.07813e-08 193.7618621 21159.76197 21569.84861 9093.830111 15210.62053 13248.94144 10385.27422 26264.71702 8291.435001 6919.886085 1305.168177 533.7726985 1500.882461 554.1288229 388.9809071 690.4760114 4.07813e-08 520.1755788 268.221648 173.0049238 4.07813e-08 363.2034187 103.1350861 413.3249733 23590.17985 215.9899526 18977.39143 286.9277778 4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid 307.2451845 328.3048367 821.8841392 1243.8264 890.9892487 423.4020863 647.0466582 655.6949399 4.07813e-08 773.1228346 294.7468388 1149.213517 569.6126669 1320.913548 879.6037332 853.5234607 242.4810763 922.1254208 134.1710404 185.5489125 145.1509243 505.1285745 628.1424109 154.9426893 333.1417728 281.5614482 368.1184975 787.344113 731.9739538 1353.952791 792.8879683 1092.479482 1720.657784 1024.932608 1172.639642 1714.300164 493.4687941 196.8156762 338.7582048 4.07813e-08 247.9004977 307.3398542 82.0610783 102.8349364 810.9966455 4.07813e-08 4.07813e-08 445.5793904 244.3256342 541.866266 878.9905265 194.4454945 715.5849685 407.0377022 N-Hydroxynorcocaine 1599.367683 2929.913175 7004.698248 5235.408293 7185.978994 4548.605806 4499.287631 844.2196045 679.4683479 602.2257359 739.0743773 1576.996701 271.2181073 2291.2551 923.8540721 524.178897 207.0776342 203.2774276 6051.325175 6175.42012 5541.651871 5892.389212 7673.682869 7259.726382 5595.8333 6034.600681 7828.228067 2751.019105 1095.135514 2885.556809 828.8136712 3526.730882 3480.375445 1385.407763 1238.302717 946.7076615 4650.092616 5478.948866 4627.737126 5909.111904 7659.667096 6785.259062 6354.408541 7900.708488 8203.362993 6969.46347 6821.428362 3163.870449 4582.176359 3447.247437 1040.588619 3030.82817 2036.984185 6791.642796 PISCIDIC ACID 4606.714324 5040.6662 4785.847946 4964.089771 5612.702481 4323.24578 3121.840902 2720.020427 2614.543617 3180.038999 2775.31295 3192.774687 3316.315746 2687.276882 2086.492591 3307.173529 3287.221194 3125.092096 4358.962183 4122.312555 3805.49503 4355.967488 4043.53063 4075.865113 5502.762286 4920.385484 5610.158505 3224.816896 2934.042494 3514.574178 3860.18634 3364.54938 4356.296179 4033.684328 3452.869454 4721.173372 3899.133548 3863.670041 3334.795334 2994.949138 4422.418518 4790.515347 3733.913079 5163.700817 5052.798327 4700.605446 3486.839002 3849.678222 4304.132464 3220.663131 3330.616202 3866.577399 4242.038099 5165.532391 psi-Pelletierine 1693.539877 1271.02238 1502.529639 2052.608077 1147.281908 1645.346158 1596.55435 1937.050606 1893.833825 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 569.5376423 786.2675738 593.3197027 555.9722189 568.8094712 666.8670819 419.7034177 282.1318042 711.9139122 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.605135569 4.07813e-08 4.07813e-08 897.2539346 919.8318669 1121.882747 697.0963532 458.513239 439.1348005 439.6953306 373.9910444 460.717526 513.1055664 1016.865422 876.3251574 977.0543325 1176.687278 4.07813e-08 541.3398379 4.07813e-08 219.0566276 Tanakamine 1242.708627 969.5874029 1219.119241 974.6365494 491.5011817 811.9039064 624.4911542 1204.753682 1302.883162 639.8999596 1340.081497 703.1575369 1012.263468 666.5192669 1079.880267 388.7772859 710.9494605 1286.848813 2234.789184 695.6252668 2232.785769 1167.663762 202.3213044 4.07813e-08 826.0610169 878.4986534 974.6361123 1476.369906 1841.058108 1506.94911 1226.791831 1839.516478 1028.395236 710.7119655 584.3568981 1276.324296 1694.98789 1702.753582 2614.285435 1443.908608 1220.522274 1071.453557 60.59921243 1196.011352 1056.006836 282.8760906 509.9414062 1437.523545 2035.851802 2208.531583 2303.839778 2079.130895 1442.481548 399.8762837 2-Methoxy-1,4-benzoquinone 1549.630579 1552.039908 1373.919051 1431.55154 1182.004413 1189.385142 1052.92389 1148.959079 1240.292041 964.6250317 910.1396028 741.4356246 794.4200548 939.4380996 684.4209232 1182.255537 817.0312526 920.118546 931.8439319 660.9937203 1003.202929 1003.565485 869.9602962 951.589997 1218.428693 1167.995873 854.5198326 788.9561019 874.8783401 1152.856211 865.5573093 941.2885582 939.8075034 1054.128652 990.4898625 1141.684997 1278.77346 759.5454543 1134.987362 877.6053326 863.2292557 955.0700029 817.6924315 1233.434646 1040.398072 1055.12122 988.5833357 815.0901964 1169.226383 1122.15873 806.8681625 980.4662521 1179.535864 1118.611672 (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate 836.2296153 818.9137911 1667.998785 2894.415809 3787.036138 2264.588307 2445.446828 388.1872694 298.9948107 456.6460518 165.3923161 848.0762535 177.9788705 227.4358912 233.1945926 132.6680822 4.07813e-08 74.95928634 3337.794849 3347.856403 3911.847037 3788.43689 4939.154526 4602.489872 3310.409624 3122.998767 5238.735467 283.434886 53.04269425 1124.301382 269.5253844 2011.011913 877.6925323 353.2469228 255.0150241 382.2457604 1827.114707 3474.580862 2702.369787 3515.229707 3824.843599 5668.116789 2749.324494 3901.170522 6323.80017 2641.152696 2813.799855 3281.367249 1188.542986 1200.828474 761.441731 1784.834916 67.12628944 2965.890782 Viguiestenin 179.5101543 42.17530964 159.8788386 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9771.830355 10079.88945 7833.28374 12233.83065 6359.439132 9131.529961 2956.784456 6189.213774 5649.692316 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.78262744 4.07813e-08 12462.35943 12204.09098 11889.24536 10131.78151 24210.48194 14292.20186 15133.22868 3750.503103 6387.897855 4.07813e-08 22.31330738 135.6844349 135.1620952 4.07813e-08 4.07813e-08 4.07813e-08 330.2261984 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 970.6261604 2609.540709 20629.88628 4.07813e-08 15373.55186 815.286418 Sulfacetamide 853.142203 397.0829322 120.8127485 198.5950706 240.5411298 194.2485511 104.1263667 516.4446006 686.5743688 2093.185292 1456.281211 1418.393956 1783.97942 1291.865496 837.273052 1444.061587 2228.739545 2275.03785 490.2678681 504.2138458 192.8040071 130.9507908 191.8615571 88.12198898 596.8824197 4.07813e-08 212.0864245 1729.913165 1942.588195 3370.432998 2940.72658 3190.312989 1985.334014 3267.581887 1438.091446 2925.368201 588.2358682 198.5733807 259.1843301 822.2756014 329.1552767 368.9449627 173.3586242 63.93652891 157.8400746 381.596042 475.2765659 369.2105923 412.5266759 898.85988 5352.547365 812.8858194 2372.845806 724.6214854 4-Methyl-2-pentyl-5-propyloxazole 1700.576046 1614.03516 594.4906936 1723.095231 954.8356846 771.6110939 518.1077682 871.9134626 1376.132365 1016.434074 1042.599306 944.5963664 1180.376892 1171.816228 859.9684716 1236.500728 924.4460258 1158.38564 844.4863385 4.07813e-08 4.07813e-08 375.0483714 454.4016299 4.07813e-08 526.0215892 985.8765899 1392.795924 1111.655842 1188.913703 1451.682296 1465.76877 1089.172714 1193.948374 1012.719304 1523.593357 1181.181314 948.1588668 389.2965289 925.7998301 726.0736722 168.5862086 526.2937284 653.3038355 964.1318614 1223.305592 679.5479923 646.5605887 302.1872428 771.4290365 772.5015804 886.9865632 141.6378658 1081.62919 1072.61191 Vitamin D3 sulfoconjugate 6850.083455 5979.506957 6752.86027 12331.59751 20345.20704 311.7244598 1058.466977 5607.300603 36004.1274 1501.418835 44.71589991 6559.246877 1793.602664 9728.680959 6442.285489 3258.507261 3438.694367 25923.31135 4333.106749 5395.192663 5519.109221 5661.145833 404.6358684 783.9084803 1917.24613 425.0243445 731.114356 48.51855642 4.07813e-08 4.616938833 3388.955111 225.7388634 14.26499168 80.69351232 223.9393445 3487.263515 10672.54385 830.751217 61.21319002 603.0984384 2405.689037 202.2454112 263.1266685 406.0446578 39.61731649 2984.00335 8614.446308 4956.524487 23502.34763 7968.064418 1955.47891 10918.42835 4.07813e-08 6986.067194 endo-N-9-azabicyclo[3.3.1]non-3-yl-1-methyl-1H-Indazole-3-carboxamide 1095.683191 1914.190457 2691.542256 2318.097914 1889.347764 2908.446826 2841.606968 1653.039576 3973.306303 4.07813e-08 4.07813e-08 4.07813e-08 54.51035844 113.817663 563.7741697 4.07813e-08 4.07813e-08 4.07813e-08 542.2810623 882.2968137 1465.688122 1527.42366 1175.587242 427.937218 1001.885414 1675.6273 1280.752488 4.07813e-08 4.07813e-08 4.07813e-08 225.6722476 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 898.2623665 2454.705139 2574.609968 2346.715181 1195.055912 1922.941919 1484.987692 800.3713495 650.3810638 846.1416671 526.7898743 1300.363395 2101.351004 1789.996706 1305.827688 4.07813e-08 2741.28735 352.8529588 4043.897185 Stearaldehyde 10625.58526 10112.14224 6689.461044 8601.185109 8198.781365 5424.688376 6499.515754 7977.156413 9187.396252 3973.941016 2860.370344 1220.598173 2035.343061 3765.226398 2437.568458 3223.571374 2650.30251 2554.42585 5347.447749 4496.811486 3191.907667 4688.633901 3388.30046 4366.358025 7233.473369 5514.808335 6518.224085 3267.035026 2695.991635 2105.775 1711.665596 4151.943859 4073.481122 4082.427452 749.4673968 4093.708789 7820.827186 8330.111084 4320.164607 4200.288436 3421.994663 3873.862628 4532.995611 6569.731539 5643.402573 4978.210721 4941.512075 2165.441223 6402.773668 7510.494621 3365.946434 4595.925516 3844.573857 6756.100365 Hericenone E 297.7799605 2865.758402 370.2720748 1409.367998 1191.6556 1520.583793 3684.415713 8696.418703 5222.23413 5228.066828 11875.02785 12784.46339 4091.223365 28139.77983 17253.84723 18957.71008 70150.12345 33282.63995 1315.517899 3335.658427 1510.404821 709.3064025 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12165.67567 12700.40517 29274.2613 16862.7352 18958.89284 7109.156902 13113.47677 18293.24599 27817.448 877.2547802 4.07813e-08 4.07813e-08 4.07813e-08 432.4494845 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6466.497485 276.8079809 1902.45144 984.9232067 16114.08422 1841.269488 8890.520118 2479.878203 Fasciculol C 226.5348169 4.07813e-08 4.07813e-08 85200.04423 3224.095171 32697.505 13423.44587 4.07813e-08 809.5636895 3.634308542 404.4564253 0.848671203 4.07813e-08 1505.598237 4.07813e-08 300.3354357 407.4623848 36.97025888 18182.5578 11272.1407 5349.691682 125633.0389 28150.05601 100233.7586 17797.60048 799.6668519 15146.82043 4.07813e-08 4.07813e-08 188.8042331 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3665.974281 4.07813e-08 590.1777472 56442.91817 105180.8987 15233.09171 74392.31517 1082.710448 1877.576111 13739.23015 10069.88143 26391.7699 2418.797479 4.07813e-08 4.07813e-08 5050.989816 2.909275058 1833.379594 MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 2121.525051 3307.834522 2786.559014 2977.388414 464.4617933 3818.097134 1238.151662 3366.888059 4524.19496 3563.561337 988.400891 13586.82288 3187.514328 19132.6693 18216.36919 4490.530746 1256.965232 8545.422157 5164.595897 4321.409119 2818.414007 3310.703971 3326.49995 2699.656901 730.4244046 137.237662 500.5425022 470.9257653 16910.51215 861.0063824 14737.95231 4125.177932 1433.433347 6601.077611 351.531121 3108.283965 4159.762872 2593.463289 2895.982559 3325.929921 3224.185991 1664.411203 2021.193001 51.2950662 12.0777398 4112.938097 7782.166983 4133.983179 6630.614513 3028.923056 9007.085759 3138.468512 2080.296356 1557.712665 Docosanedioic acid 1799.617515 2093.292002 8720.61963 11900.45691 12521.79436 14762.62875 5563.188857 2399.344944 4558.396174 4.07813e-08 4.07813e-08 4.07813e-08 91.43247808 4.07813e-08 64.21560923 217.5378303 4.07813e-08 4.07813e-08 3156.82541 3144.003477 4348.199008 3360.576276 9469.611981 12591.95817 3587.217995 2363.392923 5654.336815 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2718.006694 3608.169037 2915.091771 8362.250704 5147.57896 5282.31459 13220.87821 909.2014833 5106.783338 3062.154304 374.6733021 1466.459819 575.0635647 928.1154214 4.07813e-08 2507.085905 123.8788599 4629.349922 PS(17:1(9Z)/0:0) 2532.940703 518.2539958 3306.580921 1898.247621 5893.087898 4159.22331 3990.745007 2159.16289 1742.001677 4.07813e-08 4.07813e-08 4.07813e-08 122.2653791 4.07813e-08 727.5074413 4.07813e-08 145.4326168 4.07813e-08 10176.72923 9160.301367 6746.781551 6740.248518 8826.167823 9266.323294 9935.699006 11619.19068 12173.51836 409.328898 292.1125592 457.7455823 545.1120307 1551.405376 237.3227095 922.9733509 4.07813e-08 551.3937026 4185.669219 4217.927666 2949.889278 6137.885966 7147.624457 9875.859489 9767.784499 11013.46136 10382.29531 6816.168685 5129.997259 8304.133529 5246.468161 2508.69452 2100.159204 8825.421369 339.4630441 9290.008342 PC(5:0/5:0) 815.3585763 158.7395037 1690.761524 1279.779102 711.253323 1473.406461 1875.186421 4.07813e-08 260.5903008 427.298305 451.2938474 4.07813e-08 252.6864514 108.5908788 81.00668343 4.07813e-08 4.07813e-08 4.07813e-08 3545.799156 2878.67295 2847.771755 4346.414535 5065.987797 5297.013122 4121.126516 2699.18625 2014.601155 4.07813e-08 4.07813e-08 4.07813e-08 978.2599928 627.592707 122.0033418 248.2813062 4.07813e-08 4.07813e-08 4048.184426 4084.787685 2776.163565 3577.768124 5223.956711 3743.873097 5568.461994 2277.314674 5535.58807 1813.308165 2447.057038 2281.732563 1283.202524 1232.329278 591.6836249 2084.777318 490.9668546 1990.561417 11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid 3287.93597 2370.120194 1956.70428 2450.637256 2784.493191 3200.432952 2733.241425 3170.168376 1920.017266 1197.174222 915.142458 984.8263183 1142.112746 1217.854262 1110.589945 1190.326962 922.1925396 1425.972861 1371.085925 4619.52055 1466.665354 2032.005014 3607.473396 4914.697956 2612.107891 1727.475934 1778.713016 1029.951573 1381.137242 1365.373267 1291.837505 1301.806943 1131.239247 1315.827745 1368.44118 1564.86775 1759.747103 2673.607104 2355.305575 2786.072773 1663.913918 1946.141544 4567.475264 1758.270515 1272.632732 10492.09623 3862.639428 6510.723962 2635.304582 3261.060592 1155.290219 3795.664041 1423.340284 3029.424982 18-oxo-nonadecanoic acid 3750.708253 4213.94976 4392.766339 3815.06965 4144.919283 3228.333035 3561.540509 3129.965754 4067.165017 3071.29667 3650.87349 2001.621626 2415.945693 3603.32286 1904.551012 5432.983269 4844.011866 5091.397391 2370.449667 2636.821532 2717.564378 2187.291135 2304.594604 2981.690229 2918.671657 2962.439129 2649.213984 2589.759173 2770.80581 5329.90533 2865.295742 2462.739626 2319.694781 2073.725231 3592.11379 6971.513126 3046.771582 3058.529078 2649.60924 2356.387647 1814.066151 2644.878891 2795.086628 3380.613279 2481.588095 2806.203573 2846.227865 3123.988228 3025.50517 3176.840087 2213.519858 2599.354185 3758.602124 4699.285462 xi-3-(4-Isopropylphenyl)-2-methylpropanal 3542.478458 3027.390866 3140.250265 3014.563378 3210.088399 2309.143242 2400.145058 2298.805357 2455.802792 2486.022322 1979.104055 1469.693405 2055.408967 1706.405168 1852.159713 2012.563185 1269.589709 2003.530454 2082.40892 1973.272303 1839.1521 2269.759715 1741.97966 1854.524346 2419.576571 1984.441915 2251.858394 1738.900747 1860.324446 2426.725236 2337.555515 2313.801829 2121.018087 2181.587162 2037.771344 2435.688288 2126.497544 2249.241633 2266.514369 2110.74255 1622.25415 2118.483724 2244.375495 2726.206507 2433.516553 1976.575454 2123.731812 1928.790753 2052.207693 2179.628114 1970.997682 2199.112133 2615.012585 2683.317388 [2-(Dimethoxymethyl)-1-heptenyl]benzene 2531.894688 1993.229681 3364.311259 3163.782082 2834.147583 3205.938469 2463.88396 2524.083229 2750.583347 3820.865267 1866.68173 5508.834252 3210.952537 5045.508269 5472.823788 3671.115283 8857.026744 4402.464374 3614.890799 3918.31377 2682.461295 3063.050344 2484.555297 4127.515519 2892.863053 3312.520444 2254.610923 2098.457229 4146.647433 3175.439136 4959.384746 3166.124777 2093.886969 4586.929114 5919.494848 4732.627475 2543.672961 2786.787297 2531.160488 2478.566721 2531.744661 2485.195412 3085.429673 2679.497385 3812.076108 3409.776646 3181.665524 2666.674885 1379.480745 1467.362753 2793.652139 2646.545524 2707.38564 2592.650898 2,5-Diisopropylphenol 2042.299674 3120.584209 5676.999462 4374.091044 4275.635274 6796.761021 5629.55796 4772.928321 4865.542919 1011.762746 558.1647592 811.5878156 660.9291683 796.902592 779.4941222 800.9083857 853.2785682 620.604347 5546.199005 4917.968381 4757.31993 4014.552934 4389.207996 3843.733024 3902.412701 3659.324641 1687.042339 652.5704506 781.4519674 978.2645013 978.2841433 556.4798114 798.7749423 719.6097832 845.3849382 856.9182788 4163.408616 2291.391243 4002.110924 2791.293963 4290.496662 3392.071051 4039.131141 3316.528747 1825.939507 10525.31121 8483.768159 6082.1911 3798.507575 2322.914781 1059.525475 5770.897996 830.4495262 5006.46892 2,3-Diisopropyl-5-methylphenol 1640.092057 4370.196772 6223.040666 6014.860395 4927.765563 8693.254744 6179.29155 5423.704876 5725.814858 178.5122364 435.5128559 707.9456138 611.1027088 319.7800545 620.0026041 467.3050874 343.6724599 666.5140137 8042.20525 5967.523183 6577.386356 5130.676816 4646.464098 5786.472206 4809.382517 4206.582577 2087.784499 405.3777797 502.4161492 755.435233 651.4883272 459.2601381 425.2449859 233.0304768 572.8272042 598.5979265 5950.718681 2830.798155 5243.193654 4031.672118 5231.807781 3133.870355 4620.500228 3691.034545 1608.699171 15034.15769 12278.0542 9050.56933 5376.998255 3037.060082 1035.881028 7999.762859 1280.429806 6324.334586 Methylsalicyluric acid 1090.014887 842.5631067 1285.140052 746.9423417 1031.05519 623.7443283 920.9164381 366.0885864 638.4222474 925.9996373 919.590189 1488.420128 1462.537273 1747.369905 1670.927793 994.5145798 1150.95489 2767.915008 1059.15398 1248.385728 364.5971369 1086.565788 636.6734496 1170.459298 1221.508588 1839.305415 1202.336988 1089.094092 1348.0374 1486.095032 1677.336609 999.8616173 927.6253323 1353.279258 1369.205844 1135.806154 989.4641787 824.987871 768.4489842 366.6089725 407.95016 307.4287988 784.1129891 1585.311347 910.0531468 404.1520519 1438.543307 575.0392279 938.84769 889.3969242 1147.01754 489.8933112 959.3330247 987.8992208 N-Hexadecanoylpyrrolidine 5679.763692 5214.876496 6043.244198 5785.453871 5043.570113 3412.194367 4631.333271 6130.032153 6407.795976 4273.625403 3520.345861 3959.433175 3475.45043 3936.906746 2191.496297 5278.349927 4174.120237 4859.072961 3949.523245 3916.680488 4308.653401 4177.383625 3119.879419 3882.32781 4337.067131 4695.118751 4253.989815 3180.008531 3995.069828 3950.50338 4641.526115 3165.662418 3869.812462 3791.327475 3988.274872 4678.651342 4381.686347 3475.199902 3629.329149 3194.878587 4963.549225 4181.688183 4100.585518 4503.491699 3863.80825 4527.582175 3618.198501 3538.717532 4927.242243 4280.674084 3691.913114 4485.032683 5192.109359 5766.812817 Anandamide (18:3, n-6) 3693.396641 8563.603777 2667.113009 3884.835037 3128.372571 1575.080858 4507.835875 3627.194288 2004.851577 2103.724548 2070.594343 4184.0811 2347.580466 4012.187918 5017.708672 1959.027638 1825.548968 2680.968013 2406.805208 1761.614824 2673.960409 3881.371585 2614.535603 2128.929238 1072.289136 4453.181717 2066.058512 2277.123786 2043.371051 3291.27648 3499.355477 2149.230517 1192.192461 2794.457906 23801.63397 3559.838171 3044.091048 2021.987005 2505.586715 2355.207613 1910.621325 2014.835389 2047.400917 1158.918614 2475.381615 5450.92813 2693.839759 2560.903672 1420.243714 1151.814786 1081.724205 5526.4089 2366.210873 1852.164171 Retinoic acid 4.07813e-08 4.07813e-08 252.0304867 1206.126736 1878.935183 806.7238085 1705.93387 4.07813e-08 203.4645891 4.07813e-08 119.609311 4.07813e-08 4.07813e-08 4.07813e-08 87.24513769 4.07813e-08 4.07813e-08 4.07813e-08 3176.113132 3087.356527 4.07813e-08 3398.793636 5335.177453 4910.092236 3485.368837 7423.216848 5599.573925 4.07813e-08 4.07813e-08 4.07813e-08 89.71398706 4.07813e-08 4.07813e-08 4.07813e-08 639.8551624 4.07813e-08 1328.394484 1626.725731 4.07813e-08 1681.459206 3164.787484 2814.103563 5471.338317 5864.055963 6986.076988 4088.312742 2789.447734 1100.075733 4.07813e-08 4.07813e-08 4.07813e-08 459.4596445 4.07813e-08 1700.102736 Panaquinquecol 1 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 504.6132071 186.0931646 4.07813e-08 4.07813e-08 4.07813e-08 12690.41481 11103.40233 6083.855147 8469.726246 5749.487853 5033.553537 11178.07542 4004.570423 5114.762779 2856.030555 2222.480862 709.9977197 175.8407702 200.1703659 1049.368769 4.07813e-08 2653.802028 110.6772998 850.8149442 7523.754501 5840.242107 8388.532879 3244.763808 3009.481266 3141.767748 4378.76717 5071.688915 4.07813e-08 176.7581935 4.07813e-08 66.01204613 214.5305207 4.07813e-08 4.07813e-08 1964.235363 491.9126559 519.0224349 3649.64856 355.4454626 4.07813e-08 4.07813e-08 2313.153743 142.7477394 8760.590511 133.5892368 Octyl 2-methylpropanoate 3571.934118 3579.857428 3900.134367 3677.885453 3416.474997 2731.647668 3478.21406 3301.588745 3495.617694 2605.534435 2416.392643 1900.509746 2505.366347 2320.88563 1552.815535 3102.072711 1871.912328 2014.326134 2695.261545 2633.037813 2403.137031 2024.282161 2402.873211 2369.903858 2321.667925 3912.563528 2948.093863 2105.977076 2308.273663 2677.603519 2259.943049 2326.190501 2177.7486 1755.590847 2574.139488 2673.413662 2516.815183 2434.479746 2668.029079 1828.905861 1530.082825 2569.071354 2066.755829 4327.882262 2533.658708 2607.178155 2827.565552 2713.487551 2434.819405 2722.170115 1876.946408 2934.578957 2869.478467 3529.75997 12-Hydroxy-12-octadecanoylcarnitine 1093.142416 2644.742304 2970.711557 1559.54444 2336.09024 1542.238228 2103.625297 1984.522248 4266.375301 1169.131061 800.7708718 1150.392216 1688.126618 1619.303744 828.7640471 1550.87109 1632.086161 1685.179274 1543.414554 1858.753222 1458.577979 1392.566544 1429.901445 1623.737833 1457.968647 2350.650757 1269.996184 1369.885122 2047.408684 2132.354874 1755.000695 1382.435852 1047.209702 1509.124335 1248.489007 1482.78386 2018.030641 1261.706705 2157.730719 2197.527806 1142.878574 2150.267383 1528.255539 2530.626363 906.3233021 2525.348895 1829.977975 1929.798755 1583.650696 1026.82813 1263.043261 1769.992063 1443.368514 2799.851198 Crucigasterin 277 8429.648159 8498.020389 8057.017643 8584.715441 8733.802462 7075.564447 7053.673803 7410.899344 6864.616239 5747.86271 4858.674169 5559.583564 5763.57051 5864.324457 5610.333029 6243.122641 5389.014034 6023.45365 5927.433297 5419.912126 5610.187991 5650.892723 5853.072222 5413.817402 5676.108275 7900.632314 6740.397302 4616.261459 6030.926719 6813.470519 6979.580789 5691.397273 6197.980255 4976.027039 14187.02889 6566.632173 7118.449869 5319.106916 5967.050784 5513.189325 4684.539628 5652.922975 5507.923931 6606.060902 6257.805596 6744.308451 6601.37862 6436.911974 6129.167749 5952.015632 4615.416028 7797.13171 6966.248925 7672.87791 MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) 4.07813e-08 4.07813e-08 258.7643881 3256.178175 410.5030339 1113.783778 1230.733373 4.07813e-08 4.07813e-08 10696.24131 6579.25301 9880.150731 8299.358722 4971.619802 8128.637295 9026.938215 14698.14244 13339.82185 4423.315297 4250.537433 883.4292839 5768.105388 3363.832457 9552.615339 2469.333125 4.07813e-08 1105.134155 4504.433422 5638.993415 33422.44546 21081.27666 24629.23966 14760.76429 11214.53527 5245.425376 12327.08492 4.07813e-08 1834.262664 808.6870169 1806.378971 4258.456202 1589.577344 4994.456438 204.6083267 1383.638463 4387.34854 3695.237724 3404.701388 4.07813e-08 4.07813e-08 7249.16568 1780.031171 17449.18134 618.9573266 4-Oxoretinol 303.8715495 132.5185534 134.3112585 1002.229064 1085.762264 548.5805335 2118.403137 4.07813e-08 146.6156901 2813.919414 3396.555278 937.1745278 2562.741482 733.8014619 3693.200904 5290.530755 583.8435838 285.9342719 2621.681493 2610.235876 1478.40678 1798.625845 1201.787754 2731.377561 1917.846546 4664.889639 2407.851865 1116.244627 2738.811184 1387.793595 2970.783963 1761.730551 1431.450892 1357.462535 3109.398615 174.5111142 1442.811889 1751.235563 5002.840135 1043.344245 1863.691865 501.2773297 1407.078175 4296.57551 2543.035003 1630.762337 2000.58313 1373.900818 277.3207216 372.089756 949.5989896 963.0485422 4761.445642 1043.142536 (R)-ar-Turmerone 3850.736567 4501.794194 4131.120855 3756.279576 3137.539064 3466.979482 3450.875649 3104.120688 3600.711506 2471.871213 2365.893593 2149.557314 2122.905738 2389.035244 2138.179069 2625.772558 2559.961274 2500.784047 2170.702323 2797.09655 2286.212082 2896.811426 2857.578636 2380.103545 2451.111658 3267.046695 3253.322441 2057.043429 2635.784832 2690.153733 2665.653004 2088.478846 2264.509441 2138.762262 2747.736438 3008.712049 3344.069299 2740.199067 3063.572964 2563.596539 2639.647152 2403.584669 2963.962526 2692.437794 3260.134751 3260.448515 3203.75179 2796.969732 2847.682983 2951.866342 2703.766973 2952.269869 2657.586128 3515.236343 IC202A 61508.886 67627.48923 55383.57158 62065.04818 59041.66354 52624.64588 55721.26964 53110.72602 50185.52839 37257.81687 38173.11466 36825.06123 42705.11481 39736.91068 33285.70364 47659.12723 33925.60184 43141.31556 44466.72147 44947.84693 58336.46198 40278.14211 39433.10821 42156.48484 41638.57832 47546.69094 49628.78686 37443.40655 42229.60315 46912.29563 48094.73114 38521.13927 38919.40964 34807.21605 55412.01324 47870.60816 53083.17875 45214.16515 45827.30115 37513.77105 42060.41093 43006.62124 40504.26226 49159.47586 43979.86728 49934.37755 44404.33384 42823.95764 40870.27737 43190.54261 34932.95993 47269.98236 45981.33166 56652.98398 Anandamide (20:l, n-9) 6287.062813 7473.086029 8378.806436 7744.960637 8675.61195 6670.117922 7129.532408 1628.091394 2798.38094 5857.484548 5678.537824 5560.596805 4751.517447 7761.886908 5058.548488 4031.03535 3041.330662 4636.750679 5401.669227 4676.138251 4991.154351 5790.037613 4878.100811 5045.382683 2632.029373 3682.000413 4444.503559 4229.904695 4662.911196 6916.37489 6091.122881 4774.880022 3013.207152 3503.050698 7974.733574 6630.465565 7065.574746 6025.605756 6807.484706 5322.42674 2056.844384 2785.243657 4191.461671 4961.671167 5203.724377 7447.560967 5170.228828 5026.727111 1901.394178 3891.401716 2080.515398 5478.696301 5868.347677 5370.434949 Erucicoyl-EA 18415.88401 19881.38005 21006.91853 21795.41366 24158.72163 20422.56191 22066.07729 13537.84217 13819.76561 16920.13661 15629.56387 14382.5524 15855.15429 23120.64918 15825.40947 15024.56932 9565.588478 13361.67288 13543.5303 15066.29757 14166.02745 15910.69465 15652.15131 16785.31696 11447.67894 13600.60226 12758.27908 11289.22885 15215.83441 20421.92859 21273.9431 15280.25659 10967.94391 9703.103933 22390.47064 15876.98039 19458.99861 16550.30574 17788.81564 17455.74484 9806.409821 12121.60503 10712.20245 17277.9209 14897.03679 18995.96025 16699.16607 22696.15409 13991.34713 12018.49735 8314.37507 14280.02663 20276.9953 17311.33328 cis-Quinceoxepane 3487.517506 3571.233196 3420.86316 4728.586054 4259.732314 4644.12279 4725.542074 1065.265586 2677.757381 3117.431587 3465.096589 2099.805865 3293.422337 4545.068976 2129.083417 3264.002095 1313.779274 1942.040328 2176.398524 2673.456428 3571.364175 3583.383394 2537.443419 2878.600506 1423.982828 1221.841152 1455.550975 2783.967425 3015.918096 2574.04741 3607.203759 3519.235838 1209.813377 1342.404665 2350.747112 2762.812375 2971.500107 3712.308031 3264.208586 3424.099507 404.5317298 951.3103107 1212.975307 3038.561084 3653.571971 4402.096661 3329.132338 2749.855296 678.165862 847.2412785 968.5614998 3009.165769 3135.729 2773.34509 4-O-Methylmelleolide 848318.12 861645.3693 829753.1094 822715.2928 804587.8328 694940.4338 722071.0171 741591.0802 758059.2486 621402.4356 576834.1682 514135.0383 545567.788 595739.3225 445945.4285 695819.7131 509549.5167 569603.8086 566854.9049 566137.1366 550162.2871 557161.2293 523199.1756 535018.6167 582617.2364 665515.4347 648058.8236 504450.9149 567100.4202 647816.1059 616930.7125 551649.5425 551010.9725 474619.5955 588790.049 654944.5256 653489.2189 575329.4094 582563.1578 510032.6079 500452.5481 549632.6498 556893.8289 697965.3967 629870.2728 660644.8863 607292.5924 587860.7804 637763.6761 618366.6189 476691.6706 655113.1034 695122.1155 763461.9894 hydrous benzoyl peroxide 1338.541912 1767.187341 2279.996803 3439.250042 2984.425978 2486.027901 2738.311902 1733.486218 988.8797588 466.9127169 339.9005275 1201.56255 567.440902 849.4387231 239.8962374 312.0332568 150.9807252 127.9036616 3487.339692 2950.264583 2624.964572 2877.164726 3399.88764 3342.988922 2837.253735 3697.887497 3027.586899 320.9031536 478.3633716 1011.384084 518.8615752 689.1440153 724.8087822 931.6042411 248.7912587 330.837758 2268.140308 2940.20949 2252.185676 3364.37272 2504.764865 3034.662019 2896.775899 2663.325073 3642.696026 1489.881072 1722.675795 2093.608941 1645.063657 1609.004878 681.8885901 1869.223935 157.2815599 2033.175214 Putaminoxin 2288.273263 887.9011547 4123.489394 2374.977682 2905.425025 4023.404208 3102.27971 3413.410072 2359.158743 277.772779 243.1357035 307.6968247 394.2090783 338.4772402 50.18213919 342.8843921 99.14159766 464.8909997 8619.880656 7885.488485 4389.254837 7460.095909 9933.006356 9450.874377 7921.4745 9696.895518 10236.79365 282.7514003 259.6508298 312.0426357 268.4181317 415.3241138 349.5081894 111.1876006 313.3781234 241.6163171 4698.145102 5577.603062 3713.06803 7543.926031 8671.554963 8366.446835 9464.605356 9217.317769 11321.79749 6963.594818 5428.298319 5207.282198 5012.129521 3512.738073 204.9626205 5843.933212 477.8764588 6096.760425 Lafutidine 1027.614948 5115.323899 1935.344705 2098.484264 216.7605703 4398.911728 16650.53336 2439.262409 1970.694112 5652.027845 48210.08185 1341.186051 6122.516235 2082.886691 2540.530416 8487.166915 1170.067513 12802.48869 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32490.74534 9922.110034 31155.48116 19758.27519 88344.21113 26747.53016 28943.18446 2889.652627 101455.2044 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 136.7778653 380.5541958 2725.075261 2435.041959 11670.13163 3008.287891 26673.64528 10973.6061 16(R)-AFP 07 (free acid) 159.5687865 17712.97531 401.2381412 184.2686396 4.07813e-08 364.0648859 3054.538489 2559.781989 2388.680728 39349.41734 34154.25312 45906.30231 48962.40258 50178.6179 122046.1474 45939.77633 139758.2851 110341.8827 747.4351894 232.9465816 310.2296546 207.3626846 292.6256685 314.2804389 418.692292 354.6201508 392.758817 101238.7738 52047.87356 120766.7863 106393.1363 163573.3776 90606.93478 121836.985 60135.86293 105087.4757 2398.918402 335.1630191 263.265232 383.6778846 157.1949074 774.3466616 223.5911547 142.0464054 351.5647445 118.4758067 319.6411681 887.7258286 9396.455591 23451.8738 191207.5691 6998.334123 86606.26781 8164.673455 3-(6'-Methylthio)hexylmalic acid 8016.92464 7594.388557 10828.76489 15149.57364 12099.80901 34963.09699 20022.26939 2789.602806 2307.560033 4826.130934 2040.036801 4087.766121 3295.922955 3869.808507 2356.795611 2056.61873 48.04469916 437.986784 6224.059085 3810.385301 6126.305061 7904.961185 8992.661843 8069.327497 5970.464368 9194.393953 12671.81181 634.9046905 723.4543523 6473.678593 4917.73988 1246.017138 3290.376638 7296.52542 1014.53155 14138.9615 15121.83173 7964.88736 7384.313443 5888.319775 6030.001272 7202.950442 11230.83132 10229.15219 12984.19297 3122.251282 3247.797092 7720.440328 3957.301646 4576.314385 3406.78928 3726.622475 3581.421713 11078.17442 8-CYCLOPENTYLTHEOPHYLLINE 567.2428936 1488.480662 1572.328194 1015.924319 1735.168533 1319.491253 1954.838476 1536.646459 1396.171823 223.256499 307.9898076 768.1453104 198.7896944 245.3283186 1655.581496 548.6772145 707.2952749 4.07813e-08 1774.956465 3469.82621 596.9371556 1892.837347 3233.276399 3598.054101 3179.964242 3595.554437 3839.978109 361.2782469 1794.630218 787.1596059 909.755914 236.8286056 79.1687468 335.940372 1030.085923 1315.853052 1246.963585 1696.780851 459.3159189 1217.823881 2550.025733 2838.568143 3560.542284 3602.33798 3480.891211 2640.040337 2021.936099 1822.246648 782.1372345 1297.275609 169.5424426 1626.140306 441.7390995 2430.076428 NH-DVal(NMe)-Val-OMe 3043.504387 4594.82061 4159.933688 3173.284973 3593.461558 2932.99268 3958.534634 3761.765028 2915.594645 2401.375759 1858.945245 2749.56322 2508.106382 2680.572418 2515.531126 3024.196805 2491.921237 2371.881582 2874.99964 2449.413657 2282.862655 2937.281549 3576.931723 3037.670448 2602.338928 3196.785409 3694.606401 1836.926247 2064.000755 2630.337961 2350.065675 3017.534641 2018.138653 1819.536447 2485.307375 2474.689444 2689.188089 2613.362735 3148.751007 2551.92016 2745.477685 2884.068757 3210.617146 3451.201595 2213.762529 3081.160255 2667.353188 3266.553208 2124.471041 3064.435254 2000.764544 3467.246682 3035.106799 4220.074125 Methoxyhydroxymethylhydrocinnamic acid 5323.105529 4882.257232 4737.575837 4384.656856 5091.844828 3684.21828 3308.635734 4064.21893 3980.935347 3840.650287 2515.434676 3242.988749 3108.690072 2853.790776 2771.020369 4067.181776 3144.448772 4274.274445 3304.885189 3376.255346 3934.744178 3182.864365 2848.631628 3244.886 4505.173509 4944.71714 4282.333775 4588.827347 3700.56965 4481.485259 4541.158865 3563.274128 3618.145734 5165.835313 4163.935392 4549.587218 3881.049903 3306.081407 3469.741112 3156.022521 3653.414594 4142.742012 3574.327316 3929.567227 4535.842306 4989.750532 3635.210108 2319.325684 3912.869551 3954.110201 3284.479828 3982.122071 3702.337166 4522.148803 Rimiterol 4139.758993 2221.844274 4680.690491 2788.734411 4338.477285 3943.559587 4077.327966 3933.300941 2408.398506 12791.8755 7839.281888 6513.098363 11869.84244 5127.409704 6385.475638 4690.897996 6370.612733 5456.598173 9880.515613 7478.463162 6277.262992 6928.743711 8819.693365 8966.404264 8582.044575 10418.33126 11011.8553 8074.695882 9739.272187 3099.688236 7240.69245 4279.01065 8090.943398 12142.60413 3967.408224 7074.137454 4970.56527 6367.831184 5326.375746 7764.491949 8750.411051 7975.664957 8696.82317 10701.72484 11397.59898 7988.49261 6226.145883 5621.065474 5513.88022 4288.551756 7158.182535 6151.210439 2039.176575 6752.602843 Diphthine 4775.665729 2449.605742 4583.225823 2335.816964 1591.030467 3980.559205 3481.073278 6077.000903 2784.783136 107.0782157 186.8382069 4.07813e-08 4.07813e-08 4.07813e-08 510.3307356 4.07813e-08 4.07813e-08 4.07813e-08 2152.185546 2025.140914 1783.161197 1120.008341 2756.295874 3034.537539 3242.248731 620.9581667 3751.940009 235.7540053 222.8458248 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 306.9206908 4.07813e-08 4.07813e-08 593.6943422 2329.762379 2045.883093 2915.773827 1505.080542 1957.544542 2979.005366 322.5408667 2275.054091 294.8103778 291.3228798 1239.211767 2682.524108 1240.688387 4.07813e-08 2102.384539 4.07813e-08 517.9432868 Prolyl-Gamma-glutamate 1946.422744 3316.062487 2492.773625 3417.900154 3725.964795 2370.143329 3276.47828 2072.250248 1322.418909 1384.184938 1403.944767 2176.28386 1135.931058 2188.923293 3119.438527 1227.87186 373.1896296 1260.343391 3849.282845 2739.51713 2202.291787 3013.996864 3578.332692 1700.892509 3479.312993 4428.665341 3096.419786 2925.206423 3268.544576 1849.900871 2480.835028 3143.876956 3091.500214 4073.386984 598.0260974 1576.124019 4129.904737 3625.610757 3945.038144 3081.519565 2644.702865 4502.095406 1637.062887 5051.58823 3471.764486 1874.741359 1707.193492 2630.390115 3710.101659 4908.331192 3705.39259 3632.284344 3698.345674 2954.53427 (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 18732.33372 14847.19554 10725.50146 13920.7236 9711.623895 18990.43913 13195.88947 16110.46713 15643.35134 427.0978347 1337.491151 150.9714452 4.07813e-08 146.7042085 2349.362348 4440.882127 3470.433816 360.5776598 2407.859415 2629.817938 6780.842251 1352.020809 909.2959456 2559.206651 2146.593944 2223.671629 2163.225536 778.6465389 1003.674328 85.05581089 3592.700481 4.07813e-08 2623.546027 1876.560959 2121.242623 349.5123694 3339.816547 3383.256318 6605.818694 3764.356853 2286.356833 1465.782292 967.2787506 2325.509728 493.0138827 2358.38849 12084.25623 5067.341508 7725.126192 8412.469259 4.07813e-08 4939.115902 226.7648243 2804.282896 gamma-Glutamyltryptophan 6676.441735 10250.57714 2407.003891 7031.679292 2854.488462 3194.216744 8957.978681 10722.79006 8263.384691 3190.03624 4144.818316 3107.090499 2181.46976 829.4365898 4443.617383 3849.2375270000002 743.8644445 357.7476221 663.0600578 1231.901617 2627.409997 557.5996396 348.8923614 239.3727843 770.6403927 1373.208818 414.9772095 2644.113906 1702.915897 515.0047337 1569.661863 871.0117975 1556.70249 4140.533844 5910.905562 1337.902762 3614.589393 1565.93957 2890.331544 1960.978253 695.5526229 935.1300478 803.6386563 1888.890693 717.1116715 1142.109578 4331.770125 2144.872476 5951.698713 12225.08681 1415.568073 3379.312436 2124.992557 1755.748432 cis-3-Hexenyl pentanoate 4.07813e-08 51.95106343 1788.859123 1156.679965 2106.949113 1171.196756 1674.025509 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7433.157239 5584.984685 3479.017203 5488.920017 5503.943977 5816.345939 5796.27632 8430.027964 8023.98015 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3835.202849 4492.160898 3174.48143 5108.101401 5844.436022 4927.115945 5462.688583 7883.58404 7979.494268 4460.591626 3531.790726 4057.92351 3899.827826 2291.663891 4.07813e-08 3902.12793 4.07813e-08 4330.660831 5-Ethyl-2-hexyl-4-methyloxazole 632.3112587 479.9076965 1327.366878 266.6043911 184.6504936 905.2898655 1168.102552 709.9636356 996.5339223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1370.037911 1512.448732 2118.161899 404.5955652 1401.696064 3542.088835 1526.64531 1447.63412 2342.950269 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1587.037747 831.8585522 1918.519145 354.6799833 1281.708932 3568.695768 1157.784662 4.07813e-08 5011.977466 1833.995063 848.5990911 1254.72617 1341.466865 4.07813e-08 1187.276029 4.07813e-08 1780.44736 1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid 1262.220669 2806.858534 1915.09892 4567.469091 2297.701446 2592.858647 2970.938446 3021.098014 6514.971322 1558.844123 946.4361386 1918.225233 1092.318188 2858.102728 4841.050758 1398.487503 2004.518186 3036.571555 10041.84486 12355.14373 6811.351007 9226.554786 14636.1027 12918.67532 9525.492698 12577.24827 13486.83306 858.9510585 2201.007761 1151.587541 4459.376024 2765.62565 3179.348103 1552.232914 5419.476783 1215.061754 4981.934109 8672.480352 2843.136762 9064.189191 11998.50165 10855.9504 13469.58289 11360.00631 14745.42783 9537.913255 5685.762008 5639.019186 2177.440137 2135.98146 3318.846553 3979.394774 887.8487187 7619.597339 Skimmianine 5997.935162 4968.808724 5815.23181 7091.869389 8222.018647 5443.488322 6990.906701 4524.339836 3802.010453 2770.167994 2719.080237 4143.245317 2960.29303 2735.743126 3018.109403 1744.249978 1476.653636 2406.645962 6560.651098 6826.951287 7445.039765 7123.667455 10066.41599 8038.282854 7397.223748 9848.962731 8998.895783 3239.957986 2836.490957 3047.842211 2686.872853 3696.618842 3866.390692 3452.103728 2060.365655 2879.394671 7083.33504 5950.577446 6708.083379 6425.157802 6449.696616 8287.599757 6780.382657 9186.720572 10689.90973 8520.081022 5179.330643 6065.871072 6500.415339 6299.613668 3266.313003 6093.88456 4229.461918 7876.556149 3-(1,2-dihydroxybutyl)-6-hydroxy-1H-isochromen-1-one 4918.845699 5826.803549 6620.98127 10963.28647 10129.41542 6885.592882 6765.66825 2787.36315 1539.084081 2685.023963 2956.328592 4199.899303 3479.332393 3030.151671 1446.046904 2143.644827 976.5371177 943.9325258 6038.077294 7413.170967 5816.946556 6833.445597 10583.94695 10356.09282 8303.719263 7076.887717 9046.074553 1851.260015 2323.304513 3770.483708 1482.088669 2381.888966 2977.350773 1614.410213 1530.883091 1551.310282 7787.057167 6943.85768 4881.372462 6533.594207 6152.470569 9682.229353 9715.307923 5703.407134 8005.239978 8757.093184 7615.555471 5364.072174 4785.279075 3775.466909 2328.466739 4765.564614 2666.440019 7079.6175 Hydroxystilbamidine 3284.345596 1552.403197 2763.74794 1325.823842 1020.30993 914.076969 678.0574094 3441.194226 967.8342701 2783.993586 1878.218004 2402.236792 3591.77364 1056.879376 196.7391936 113.5154043 4.07813e-08 4096.486915 4816.602091 2013.093283 4188.965937 2852.337513 255.9210766 2447.190454 2083.417846 10507.76513 7986.896771 3255.085341 3621.685311 2754.162241 2389.57322 4202.098716 3725.901189 2376.122407 1184.299624 516.2434923 3671.943671 3700.661949 4145.267876 3109.691903 4752.174833 1527.975807 1990.335246 7819.682331 9188.872627 2702.310979 2815.067026 2823.292647 4012.689742 3415.138842 7879.318172 5068.131252 873.7005782 3748.077848 202-791 4957.944174 4144.432719 2568.632004 2555.589008 2651.220904 3899.867505 3511.519336 4615.587014 3910.732967 2146.565499 1418.446378 1079.31296 2747.217602 717.7975607 1475.354352 564.6583771 1370.341104 2481.162242 4564.444511 6033.595899 4017.385431 3820.922042 5972.106182 3646.945938 3863.979447 4397.517655 3094.4387 1037.380793 1367.826252 725.8729722 953.9137908 2138.106937 1332.986172 1440.032209 498.8995888 655.951597 3007.53886 4198.996439 3541.84506 2218.579333 4063.900741 7547.884691 3354.561246 6299.231369 4351.476238 2761.753752 3609.895422 4631.234586 3844.040807 4288.643511 2052.443584 4636.959289 1025.107311 4352.439882 CAY10509 2631.073174 7440.545794 1611.621818 1487.633548 935.2041119 1861.983259 1461.835144 3341.718373 21059.44136 4136.196834 962.1813478 911.9063917 2278.910459 732.9970483 1768.194932 200.681464 628.9800019 626.3469264 3311.221746 4777.164762 3867.859497 3504.253512 3098.904104 1994.06551 3134.387956 3818.02671 2104.604421 2407.681686 1811.726683 1116.076071 1082.719208 2194.909896 692.6717158 3224.122688 168.3915176 507.7337787 4075.850296 4785.251809 2972.701201 4077.360425 3400.327661 4897.1477 1885.092517 4244.616414 15.5922529 1010.169547 3779.599822 3301.981885 4916.7064 5181.642429 1200.012294 3833.126042 3006.433555 1193.589555 Methyl Benzylidene 7661.377428 9078.375374 6996.375982 6368.255552 6693.889216 4595.228463 4102.614973 9663.904366 7140.726971 770.5464659 1256.146447 266.0903904 2130.987067 435.2342306 1413.883906 1056.177693 465.1549971 464.1433477 6308.275991 4518.144883 7257.862597 7279.802016 5298.841261 6185.350483 6963.884375 6396.012702 9371.607618 1286.345165 183.3260341 665.2832714 957.3558248 264.7777541 1475.342624 1741.095866 2408.674206 1689.439554 10893.26473 5029.692984 7422.947354 7133.783484 9451.423756 7289.392135 6274.226053 7920.40396 6534.397469 5156.027206 3256.551432 4842.01276 6979.000533 10471.45373 374.5335004 5344.074369 813.9350826 5942.996821 Yellow AB 466.2603456 4.07813e-08 712.1960298 960.7255503 4.07813e-08 1698.894886 1193.351369 425.2129163 4.07813e-08 1707.60578 1804.807614 3758.531243 1978.777497 1154.583957 209.7689991 1121.397394 5598.811333 6278.532702 2896.260302 1131.063666 1922.337844 1945.21721 3150.258185 2597.708113 1641.326843 4135.546015 5774.681121 1839.017269 3433.484164 8085.469916 767.6484301 1601.811714 3327.162797 2697.673163 5989.396832 9256.227396 3397.472206 1762.71941 1775.150149 937.882913 1896.127315 2506.756902 2453.385982 3606.052982 5709.331351 504.7517615 158.9083227 2102.339747 2166.209916 1180.672589 4302.599948 946.290231 4135.668692 3640.838136 3',4'-Dihydrodiol 4.07813e-08 424.8863164 4.07813e-08 4.07813e-08 78.09123338 204.6727522 503.490731 553.1203616 172.4205283 2813.49885 1987.769831 1673.329603 2089.157597 2999.517056 1893.901591 1194.293041 3368.08837 2864.337974 1517.628907 262.7330531 0.016733128 476.6936642 1048.217472 589.4423829 633.4706688 579.7120497 591.6145202 1661.433668 2637.234064 2858.447382 1944.224271 3299.129062 2520.211904 1958.109245 1973.571274 2849.366167 649.308833 322.5142176 291.6818719 446.1041846 343.6818458 807.0583781 179.219201 192.9860633 229.9568651 167.7292125 138.6993665 28.26508438 264.4689374 4.07813e-08 2526.659779 52.30804166 1913.31768 202.1821251 7-[2-TRIFLUOROMETHYL-4-(2-HYDROXYPHENYL)-1,3-DIOXAN-cis-5-YL]-HEPT-5Z-ENOIC ACID 9050.135385 3198.928624 3255.262974 6134.205129 2014.210985 980.1070851 3070.177113 1682.192026 379.3789127 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8886.349773 4858.883101 9603.476108 15677.57764 8672.525464 1940.455005 9365.441996 9104.794844 1618.905142 4.07813e-08 4.07813e-08 194.5568231 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15594.43166 6192.683877 8893.916288 2531.493508 15256.85607 17729.50271 1927.523142 6561.264777 20617.02741 668.8605606 1215.463976 2121.898518 9090.004512 4741.364868 265.0979062 1424.613447 4.07813e-08 982.7923659 PC(O-10:1(9E)/0:0) 2376.749618 3179.066874 578.66021 404.8143962 30.16161935 1630.979394 4148.939061 7014.624863 19200.5928 3232.573872 4449.239105 7599.633146 3285.634576 15679.99878 9333.609546 3631.140843 9925.964767 7517.266996 389.8878854 777.5513134 1047.220122 999.7418628 1095.801978 811.3801358 1315.886667 1557.05601 1110.317399 5174.716762 7239.05455 6527.863193 5233.050536 9457.538973 4885.438272 3598.825422 4737.727642 3084.035688 499.046997 1437.057925 686.6065754 1075.261818 1120.645407 768.1652853 683.6044763 1379.206349 1258.460472 524.9803436 1862.467702 1780.701949 1333.346301 4363.60281 8166.059224 935.8387884 2620.484015 983.9418058 Lamioside 535.4844815 4275.106018 959.2584744 318.8706765 4.07813e-08 153.1182338 1386.934956 1313.544546 3028.05453 10251.28088 9262.680536 5978.279018 9793.947481 6814.33739 7617.989285 4595.123185 7812.075053 7869.8731 185.0734723 255.0954853 180.792366 4.07813e-08 4.07813e-08 7.708808056 191.4486459 278.4057983 4.07813e-08 8294.047223 8521.445562 10264.10048 6296.677191 11616.37175 7474.470229 6733.304989 4361.213992 7991.325152 40.51462955 150.4247595 249.4668593 25.49645994 4.07813e-08 4.07813e-08 4.07813e-08 3.230467582 74.97601368 158.9138597 317.1349767 314.6026235 990.9037097 1501.051601 10014.13685 189.9759455 8264.04318 4.07813e-08 (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 291.5955855 4.07813e-08 4.07813e-08 4.07813e-08 227.5709129 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1400.473957 14837.0225 12773.78508 2110.298586 842.4145066 13661.30747 26197.65151 0.021759308 629.2967508 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 147.1319799 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1983.150258 8675.624148 1957.991687 2743.780559 321.3669473 7112.037336 18740.53429 5696.442151 4148.182219 125.8221208 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 82.89256688 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 281.0165453 4.07813e-08 1181.573827 4.07813e-08 4.07813e-08 4.07813e-08 C-6 NBD Ceramide 7558.493274 13287.20757 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1851.386176 3919.805216 10952.45851 22967.17291 23148.4644 46167.01706 32268.09448 21877.35672 25276.07091 11617.2315 66688.38774 32701.29308 298.6383915 4.07813e-08 1674.280459 4.07813e-08 4.07813e-08 4.07813e-08 335.9159471 4.07813e-08 4.07813e-08 50610.35791 33279.4997 104134.2391 32400.30931 39544.06698 22224.16144 21502.634 55718.11103 73297.31027 1656.864923 2786.520187 281.3508059 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 438.1359113 4379.769639 6793.476947 5384.237824 41925.22783 1269.168548 13998.33745 1519.608519 Lansiumamide B 470.1878801 4079.114144 397.8926707 795.7952344 1085.153972 650.392375 336.3082132 125.0447773 775.0524955 1435.784345 2427.056174 4025.346886 3388.58473 3582.14733 4.07813e-08 4.07813e-08 4.07813e-08 188.8369317 634.6154121 1013.194194 275.1264301 655.5748321 1113.083663 645.3571343 265.6225808 318.6804095 507.025947 1390.928964 791.2674257 1179.65523 977.5453593 697.9259429 1420.100324 4.07813e-08 348.7056493 487.680146 854.4199646 471.0872908 545.7797415 0.002051377 409.217385 294.0860193 746.0345031 457.2667188 599.0118585 986.0866257 2322.817922 377.7842745 2020.907268 27732.41145 831.5288156 382.4301253 10534.96086 1469.209998 Decanoyl m-Nitroaniline 1706.146678 1749.501069 1540.087319 1515.365924 2324.53196 3012.355724 2482.324505 1213.885979 891.5131215 777.3237625 486.8437612 4.07813e-08 558.9154692 4.07813e-08 4.07813e-08 104.242263 310.4814335 759.7052913 5621.221421 5505.450459 4014.312335 5487.991805 5343.303322 5294.868164 3957.493693 8822.054932 7048.307376 4.07813e-08 663.2869684 1035.898928 4.07813e-08 346.7819811 207.1952351 124.7430006 98.32060595 4.07813e-08 3189.297226 4237.142197 2941.755535 4792.450385 5973.110801 5410.745826 4460.837472 7063.89704 11481.06948 4401.756275 2531.615811 2987.332981 2018.041658 2277.769015 629.5476952 2642.060263 345.5159889 2702.8026 2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide 533.6733449 8181.083099 1481.090407 2030.562021 347.0163314 1867.752935 3788.140284 3273.577727 6762.45627 36830.49332 38818.32214 25869.7571 35830.93954 24587.61281 23081.49043 20749.78963 31528.20998 36193.82608 369.3947092 211.3403404 1569.41017 46.78319877 787.6716995 836.582755 617.5946392 1319.222143 946.8634167 21552.77231 26464.94423 30724.5641 18204.87896 31037.38817 17958.23508 23610.19065 16713.97073 29287.79059 1782.179888 492.0897166 678.3928637 1144.335161 542.0498363 1187.766142 403.0337773 2002.797082 308.1870005 441.8536383 696.4460227 552.8316805 932.008266 8349.717837 26346.44081 1628.058275 21872.8152 299.7760725 Methionyl-Phenylalanine 7132.72368 8678.352511 4360.957825 7429.36176 3574.731177 5801.864375 6930.823106 9018.636582 7104.956565 4042.914952 4761.080742 3657.856676 5566.843683 1621.109744 3804.000792 2665.323017 3042.286324 1919.082004 1614.950464 1588.804917 4669.603846 1830.924827 1536.231683 1368.842473 2189.679246 2936.207 2198.439708 7153.75972 2412.618906 2050.42391 2739.600517 2091.211539 2804.670762 1536.239571 3179.826667 2015.825556 2502.387092 2741.704879 3590.204077 3308.048336 1776.801492 1378.38921 1760.807271 2002.982414 603.8979148 1737.404562 6869.604421 3053.648321 5850.112067 24854.94715 1759.192025 1900.154143 13385.86752 3367.101835 Butopyronoxyl 2967.309286 2457.35791 3720.931334 3118.22461 4527.767831 3709.087554 2856.36445 1897.966328 2343.622312 562.9372482 764.7971238 270.1259509 740.7337116 386.4354719 574.4272982 787.8118854 484.1665246 485.3451304 2822.281975 4914.099429 3350.981428 3535.029008 5503.85625 3620.763174 3726.776807 2713.09796 3565.204489 281.2135809 634.8730367 723.0065876 405.6987639 391.4360328 4.07813e-08 460.7423884 528.1882722 416.7244571 3441.310394 3123.822574 3087.034371 3043.494585 3447.838565 5782.488 4764.182314 2852.74116 3964.508977 4332.737962 2823.428063 3908.944475 2101.849749 1398.983868 433.6519922 3458.655611 770.7112862 3166.521508 PS(20:1(11Z)/0:0) 18357.56088 17424.15673 4847.248059 4904.703168 4624.824752 6564.281622 7233.005857 15907.24393 11387.46844 6437.174864 5332.664275 2526.632707 3800.156704 9703.220093 4862.663915 6983.006547 1641.585159 7088.713808 4376.140617 1472.371408 3960.178145 7920.547063 1039.714246 4.07813e-08 7579.004777 4606.291751 4171.443559 3640.629744 5998.66791 6211.738031 13798.14521 4485.6397 3407.917358 3414.283548 9032.342804 3941.511585 15805.30454 4355.874625 5885.608791 2829.003192 5685.19868 2781.637895 347.3416218 3110.816979 1456.129102 244.3719215 1955.39158 3313.740111 11874.95531 11074.99107 4196.441734 6194.579973 4173.099108 3676.614615 3-hydroxyhexanoyl carnitine 4553.158985 3726.535451 3925.248628 3589.939369 3797.149048 3811.10623 4093.956682 1542.645132 7435.539001 467.2077135 391.6484519 275.7633499 335.2082627 297.4431346 289.7832347 544.2645459 499.9389223 800.2880615 3714.577524 3392.638622 3177.853282 4193.452105 3747.196105 4927.726179 5618.843073 2388.598939 2632.103757 257.222351 265.1000326 451.1973207 869.4786419 232.160998 587.3462111 106.3866298 744.5479729 682.1635632 2499.07677 3748.921932 3182.694621 3556.06692 4615.145198 3217.036045 4008.773441 2303.292898 2696.571981 5574.474046 2706.216578 3768.273205 2100.188209 1988.126927 277.1391413 3856.068052 13.77707658 1823.323769 (S)-(-)-N,alpha-Dimethylbenzylamine 1482.979778 845.9524757 1995.025119 1693.479103 1390.759847 1872.667283 1714.133358 1857.916904 665.0609151 4.07813e-08 102.79282 31.65593158 4.07813e-08 33.61251872 4.07813e-08 4.07813e-08 42.11509419 193.9060344 2272.981126 2385.648115 1700.886931 2034.743712 2384.280917 2050.550302 1887.279454 3036.936658 2148.448239 269.2313729 235.6655131 307.4972598 175.8551302 278.2883967 581.7279707 46.14637701 100.5808677 4.07813e-08 2244.680658 2202.546713 1512.074335 2395.463278 2394.091926 2152.961514 1904.579542 3334.238467 2564.094335 1732.523354 1373.647339 1462.207617 1344.449359 1303.77073 218.506146 1590.06439 168.6668796 1954.324067 Metoxadiazone 560.4143341 327.3025039 4.07813e-08 4.07813e-08 235.4550959 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 952.0141519 1572.893129 1201.317273 1232.785036 1128.212157 1110.479702 785.1909334 572.1296073 1292.043066 287.4293614 4.07813e-08 113.5689262 4.07813e-08 4.07813e-08 4.07813e-08 29.17898536 4.07813e-08 4.07813e-08 664.5462842 1459.079593 2278.023231 1133.381802 2935.765089 1854.953449 1171.933727 488.0763997 1429.492775 1153.865683 108.2160956 4.07813e-08 4.07813e-08 4.07813e-08 242.6945353 4.07813e-08 4.07813e-08 14.13806421 4.07813e-08 98.46694904 4.07813e-08 161.2245824 98.67252258 2602.949714 4.07813e-08 1995.406185 4.07813e-08 LysoPE(14:0/0:0) 9136.413833 18662.24564 10979.78134 16393.75638 11277.61554 16100.61805 16103.83403 26185.61583 26690.91596 6758.893761 7850.762556 5411.861801 7658.966333 3273.481991 5796.676094 2682.475398 3291.829422 2883.158261 11287.96026 6399.979742 11116.77321 7957.569298 8721.279176 7733.015822 6723.004651 11067.68239 12149.92887 3963.883124 5628.679773 4293.851721 5212.467297 5064.534691 5952.954548 9597.289993 8877.228479 3608.086611 7408.699908 9503.394687 12768.47541 9756.681438 5239.374712 10818.25048 6541.5532 11330.88645 7816.424693 5962.067578 9058.989868 9126.384689 11260.8265 24392.69647 6706.380223 8729.675424 9961.314061 7084.176615 Methyldopexamine sulfate 389.8091748 1470.056236 218.0959875 453.6113065 264.2311539 486.1142882 431.024077 411.1507518 1405.829418 9101.369526 12595.11735 8217.377411 7045.838809 15370.85292 10811.47806 11555.65227 20644.51603 27602.71323 307.9689939 678.8319643 246.3170233 546.6996993 384.2604301 0.132007644 4.07813e-08 430.7905565 32.28636011 5336.501542 12104.41633 21909.9015 7370.483628 19781.61898 5744.871272 8227.5471 14997.58847 14699.63565 224.8387979 30.26749062 269.9305571 408.018813 10.8817206 254.3147562 14.10105989 376.8198238 419.7480616 230.1240083 526.3996558 104.9839843 1031.609005 1030.251844 14357.62872 705.833495 6768.697223 701.9537573 5,5'-Dehydrodivanillate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2947.421983 2685.419352 1335.048433 2413.728662 2146.744706 2477.120925 1155.950721 1155.383585 1196.407517 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4013.569562 3289.544029 1790.768438 2783.410127 2579.549585 2871.569073 3891.923828 1841.645548 2058.650908 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3156.552196 4.07813e-08 2387.336218 164.1873902 Nicardipine 1288.230922 314.1846074 250.2227218 4.07813e-08 248.6035306 4.07813e-08 260.1992506 4.07813e-08 2079.687986 3661.249569 5137.972748 2062.882651 2020.169845 2887.508866 5692.020963 2992.038074 4571.54195 2320.878057 4.07813e-08 4.07813e-08 1427.225397 4.07813e-08 418.3680541 4.07813e-08 579.8153934 1897.784985 522.5599974 2403.942684 3554.052414 2662.416856 4572.036609 3245.978988 3833.186431 7383.592461 7107.531723 1256.659923 4.07813e-08 4.07813e-08 4.07813e-08 152.0976813 4.07813e-08 4.07813e-08 243.9070065 930.185555 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 243.8462559 1465.896181 1488.422058 4.07813e-08 4364.860693 220.2654515 Dipivefrin 318.8440053 190.9434865 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 257.3537694 244.9282854 4.07813e-08 43.63793958 576.8454301 4.07813e-08 17.29546619 238.7508391 492.7763049 810.6670089 780.8427252 4.07813e-08 5582.847507 3813.631852 2473.938888 3020.236474 4032.461793 3880.834496 3278.991877 5015.161326 3496.876379 350.2180147 174.9251419 67.14493423 458.3805798 147.1498877 444.7504753 421.303694 267.9046091 54.71416579 3100.195724 3425.432532 1981.924204 1960.139033 2969.965039 4156.823199 3071.427938 6100.482296 4577.650123 1382.769474 2211.230175 2636.411584 2070.630639 1137.088136 491.4556692 2695.538446 745.0999923 736.062219 (9R,12R,15S)-d10-13-PhytoF[13R,16S] 4949.647489 3633.40411 4172.413105 3317.966242 3677.474678 3706.508164 3798.636773 1611.36322 2984.800928 892.9074871 1332.0961 576.5386674 727.3279315 893.3756587 1962.762086 274.2861513 435.5802751 1011.512935 4867.034199 3997.92751 3875.594255 4929.557392 4076.88377 2158.46526 4017.312623 4582.743909 3924.862693 946.7253783 942.5806074 1258.889671 1309.779546 497.5814864 928.8721188 667.6237643 388.6226838 953.6215762 3833.063136 4046.320345 3811.261614 2392.088179 4142.423623 3611.826261 3942.95391 3643.294695 5694.074503 4535.133605 3252.83875 3842.00786 3011.355808 2249.147273 1926.090445 5158.654498 612.5125314 3423.28885 Credazine 967.6739165 956.555855 969.2737366 662.1135642 480.1464023 1019.592217 677.6850197 486.3998176 1160.731813 4.07813e-08 34.67508615 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33.46642878 4.07813e-08 30.1615816 677.0740679 423.5304954 285.2478466 506.5727083 608.3578366 1040.883828 507.3239874 283.1027151 1306.8965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 227.2469934 928.9394769 745.2696853 902.9897018 686.4381376 538.852396 1102.134273 323.9978781 498.2527987 527.6233615 308.1302734 625.4813681 404.4298993 421.2345839 35.05226706 777.5083914 4.07813e-08 786.6123875 2-trans-6-cis-Dodecadienal 3048.997548 2482.399229 2928.340912 2741.786506 2931.163696 3575.691452 3867.909359 2919.098293 2834.464124 650.4127485 919.1857868 745.942056 583.7791237 632.4468061 401.9423397 1087.535434 529.8829179 524.005389 3260.211077 2350.363336 2797.81362 2800.687214 3458.832774 2485.627462 2904.608998 2822.072899 2997.827351 456.1429899 428.8675757 690.1087648 569.9570391 572.5046465 513.0952042 402.2262501 773.0918558 501.2795794 2886.729726 2479.640094 2892.235515 2559.986306 2907.73692 2767.40535 2782.167149 2581.77604 3800.109531 2628.196285 2171.559809 3199.744861 2587.803563 1783.550136 1039.838236 2185.615752 1318.628169 3253.014603 Practolol 4859.604068 4065.776296 3221.507758 2886.484781 4735.786883 3940.341257 7613.458641 4011.568165 3116.872302 839.563835 846.9965086 606.5635973 1041.521395 403.833456 363.2978441 181.502288 126.980555 181.8061928 3858.884464 5857.911217 2679.007001 3583.001885 13672.68189 13715.01996 9181.835052 3669.904114 10236.42449 256.256199 73.92779282 257.5636904 0.973051431 4.07813e-08 893.7124319 70.47008771 110.3081493 568.1761237 4097.803334 4697.033636 2713.748494 2622.21153 4281.712571 6193.693841 13553.9361 3966.561039 5518.068053 8972.267072 6262.595944 3715.961497 2085.118383 1819.169019 235.6862497 2963.874782 243.1740594 9049.894895 Annuolide B 2373.356008 1464.59955 2314.076119 2759.16827 2177.135802 3081.67186 3007.015386 3538.954958 3250.204389 428.9579977 69.14231223 287.7580107 125.2522418 234.8571531 68.33995374 126.3868736 797.6996755 570.9495118 4824.433439 3685.360658 7792.066402 6205.038713 5897.079654 3660.953867 4098.706907 4022.912023 5139.623168 243.0265701 249.8761565 343.8393114 54.21551227 615.9661172 264.3514432 622.0992042 806.4938517 571.3660709 3199.628959 3839.851705 4546.095872 4263.897975 5226.080947 4636.592451 3670.398349 3561.300551 5635.804301 2680.23625 2226.892766 2487.291928 2852.044897 1462.748718 1122.85341 2895.41692 407.3576504 2534.968999 N- (3-TRIFLUOROMETHYLPHENYL)PIPERAZINE (TFMPP) 4843.804113 4067.872825 2947.007211 2959.499965 2885.247699 2557.30617 5140.209175 3032.65066 2729.384472 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 247.6075049 121.6506432 1210.415594 1426.934011 361.9105161 243.6998589 831.0945047 232.4633347 139.3594779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 104.7455163 4.07813e-08 4.07813e-08 1321.731453 1378.787481 1812.325137 839.1667817 870.0540267 707.1992719 251.8681947 4.07813e-08 376.0078073 86.22466506 1165.260008 1568.700801 2302.84043 1666.563423 106.3797864 1514.265029 4.07813e-08 1870.490532 Gibberellin A39 4.07813e-08 2.010068226 181.0957284 4.07813e-08 215.6418574 92.41497043 4.07813e-08 372.3211845 182.2181003 1502.545174 9782.586536 686.6492364 341.8389982 1240.06786 947.4267379 18184.50637 6275.862499 179.7997274 773.8492885 470.3290491 217.7464966 651.1619839 144.4857663 200.9854095 1173.132853 1232.370538 461.6746665 22184.32582 454.9580208 10705.40949 1335.684627 6379.970162 9855.392489 1166.009534 5516.013563 1060.427579 24.59077257 412.7943725 499.0936116 166.4862763 736.1045351 672.247998 358.9187174 552.5880701 629.7118912 196.919061 171.3884842 4.07813e-08 365.4209497 589.6102478 721.9744908 4.07813e-08 7579.360688 4.07813e-08 (9R,12R,15S)-d10-13-PhytoF[13R,16R] 14231.39186 11738.73801 11106.96258 10979.04101 12016.6975 10289.63493 11777.97824 7904.349934 10255.62778 4108.531018 3972.151408 2950.919895 3302.144576 3266.817612 5607.796821 2488.036667 2013.351981 2906.137063 12464.418 11687.0914 12516.43915 11854.41208 11951.73305 10634.68341 12977.12352 13198.20507 12536.5245 2524.781834 3233.552116 3731.682842 2847.970652 3521.472819 2196.462876 2792.0026 2258.815116 3132.127127 9821.274957 12859.64221 10403.4351 9652.14666 13779.62049 11985.16256 10571.68401 13640.74316 14600.90201 15103.2321 11546.46254 13708.24633 8013.91422 7926.016193 4307.619451 11008.52115 2923.234955 10524.82708 (+)-Syringaresinol O-beta-D-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3002.180609 4464.583018 7361.992451 3915.202471 5527.498787 1390.404876 1684.774981 1576.250463 3256.817589 4.07813e-08 71.82310537 57.12220897 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 264.6459721 948.756513 5925.936854 4.07813e-08 844.9383175 2367.596371 2726.297587 2604.540469 1600.218336 4.07813e-08 4.07813e-08 259.370369 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.38931655 4.07813e-08 4.07813e-08 1749.785114 4.07813e-08 PGD2 ethanolamide 21780.41436 22626.34505 24381.51884 26676.29379 28277.21563 18678.58326 19853.80431 26197.2067 22966.9344 12362.73273 10234.10555 12361.27782 11444.78068 11274.64911 10056.12268 8212.634518 9779.547324 17021.10612 37493.05502 26018.77877 20955.50965 30725.12185 28559.16652 25430.34099 25227.87937 28921.42096 20003.38399 16859.2138 12171.19964 14123.15172 10311.27285 13400.37599 12643.54722 12239.48274 21382.67965 10392.02324 25072.29795 23738.79758 23753.17016 28515.20444 32997.28233 30874.18705 23104.03477 28407.65836 36055.97967 19560.50689 21338.90956 27156.48012 23151.77129 20555.97666 14255.657 29210.46475 11008.65912 19585.07242 PC(14:1(9Z)/16:1(9Z)) 32407.47229 33573.66169 29294.34905 27088.92034 33459.19506 26396.21681 21349.59114 28289.28802 23990.50717 20861.10659 18455.12863 17970.92798 25210.6536 21358.96092 16686.52918 26950.36032 19130.44936 21766.48285 26159.80293 23101.2336 19358.8478 19963.05222 19864.20871 17655.36025 21169.07181 25072.14312 23829.39342 15393.70149 19697.69628 23509.69335 28979.99221 22025.52799 17531.74187 15749.65342 23631.20093 24898.48133 21584.82564 21337.37253 21267.267 20735.9798 19499.63001 18541.6706 23574.4762 27338.62611 23029.38068 26591.44955 20055.09728 21365.55438 23253.99601 21043.06914 19539.78164 20815.54248 26279.40936 32990.96804 Vanillin 1,2-butylene glycol acetal 3746.153746 2767.549569 3626.27135 5073.759085 5448.106362 4527.694959 3832.224331 3671.194975 2816.628029 1741.30389 952.0588194 1719.07006 1782.215055 1894.102265 1839.98165 1259.140663 1315.158567 2280.334306 5333.26414 4438.905138 4365.522704 4182.824281 4333.975952 4257.416391 4813.198966 4322.75272 3792.859322 978.425346 1946.228135 1564.55943 1767.50874 1151.18523 1037.679029 1922.405172 1227.884678 3269.83109 3577.967195 3564.815333 3636.199948 3702.148008 4275.246717 4837.208881 3771.018596 4643.540449 4237.602056 4614.920078 3077.566285 4250.691291 4107.951019 3571.061397 2355.817508 4045.30573 906.875799 4356.884573 DAN-1 EE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1234.215137 1823.617646 1349.873187 1813.952447 1961.451854 1623.111658 715.8401356 4747.092617 5284.234113 118.0881804 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 103.3431873 4.07813e-08 4.07813e-08 4.07813e-08 1026.322911 1986.834814 2880.52605 1760.304052 5124.474014 1550.992775 1496.259123 1554.652664 4268.871975 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 274.9209401 5638.404746 4.07813e-08 1018.86722 4.07813e-08 N-(3-oxo-11Z-octadecenoyl)-homoserine lactone 745.6621399 599.5512848 1080.398356 3371.456704 578.922162 2528.729357 1712.851307 3914.138067 2494.788097 96.6858693 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 259.734653 5356.406969 3733.881235 3700.977494 3973.847956 7207.519487 6214.566197 1335.107392 6137.550927 2038.084254 116.7730314 4.07813e-08 4.07813e-08 4.07813e-08 134.1516357 148.1371215 451.6910915 4.07813e-08 4.07813e-08 2772.966782 2048.692398 2984.6493 4842.666799 4936.082691 6218.433697 5624.586198 5832.371364 3147.62213 1299.324042 1423.018893 2100.616095 2598.109176 2341.926327 4.07813e-08 2705.691385 4.07813e-08 2287.946174 PGP(18:0/22:4(7Z,10Z,13Z,16Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3485.034633 4.07813e-08 5674.965444 35970.18424 14730.58388 3913.144239 40242.77786 12156.4597 25180.63208 5559.620087 31795.65695 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3175.506216 4.07813e-08 3090.044927 10393.57529 24663.76593 10082.62829 19246.21372 5018.69706 4246.525589 3910.177026 9429.646562 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 524.1489771 1926.982519 6608.54547 4.07813e-08 26113.66109 4.07813e-08 3,4,5-trihydroxy-6-[(2-pentyl-3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid 13911.05932 12324.22893 26284.54657 35372.21973 45218.32602 25222.03999 20186.90508 13167.09308 11679.60425 15.59634576 723.5365896 505.8891083 582.1692584 311.844255 336.0095563 394.2389358 363.1459841 119.0227646 24641.09514 36379.12547 20755.44081 20074.83566 47920.77694 36858.52703 33591.74031 24544.79078 38314.93191 398.8225162 748.2624347 818.9053021 339.4065188 1582.105017 1091.213283 780.9380493 370.1961655 359.9237822 11668.20555 23468.26742 8937.140175 30210.40039 23524.78115 34727.62586 28445.35108 26541.33228 29205.64313 28201.23267 20195.91038 24484.16684 17898.24592 19481.19632 1639.142503 26161.08254 563.5066782 27397.53492 Leonuriside A 586.940153 997.8979446 1397.142923 1242.595477 386.8174284 4.07813e-08 948.3834 710.5563961 917.5050125 3000.945903 16663.30622 2791.274245 1588.732763 6804.130689 333.9058035 7744.587702 1929.978339 6713.365884 215.4007861 4.07813e-08 1867.09809 3510.156415 193.5051436 4.07813e-08 208.5156211 1306.388843 4.07813e-08 4.07813e-08 5837.440772 6081.861021 1762.13396 4033.014596 1084.44553 979.9216197 124.9062162 3677.736465 7623.696823 198.9831982 0.003644373 4.07813e-08 134.0920091 1728.751506 4.07813e-08 1032.919712 3176.638615 4.07813e-08 252.0092844 4.07813e-08 384.6410931 1943.955268 2708.606911 4.07813e-08 6162.794356 5.756592957 Fawcettimine 2462.807487 1546.312194 2506.23004 2869.275236 3256.97254 2618.848273 2767.512777 2893.688486 2184.793105 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.08947564 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5157.984523 5307.200214 2927.401438 5561.301834 6181.66922 4863.237599 5251.231776 5480.777762 6173.263785 4.07813e-08 56.89220441 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3906.317453 4226.414835 2791.75875 4723.089005 6408.309417 5356.058416 6114.87136 6414.750162 7102.932972 4063.475429 2867.316558 3523.891282 2411.315614 1911.363407 4.07813e-08 3985.506373 4.07813e-08 4371.617699 Apigenin 4'-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1699.069862 4.07813e-08 4.07813e-08 26623.31536 7202.097073 4.07813e-08 18338.8714 667.4823981 29854.92246 4.07813e-08 43362.82441 44293.5434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29679.97396 26733.44215 4.07813e-08 23828.19297 13314.67058 11287.1286 18538.38906 5239.91276 547.4194798 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17880.17816 4.07813e-08 18340.71701 4.07813e-08 antipyrine 4849.254829 4525.475379 3532.890122 3493.759463 5573.725186 3802.796038 3959.684117 2506.115297 3090.338093 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3485.848556 3674.958304 4430.097028 2886.214766 7357.142406 4388.003116 1915.631999 1795.969494 5781.237523 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 599.7973137 3775.077381 3545.836221 5387.176861 4497.67255 2629.456669 6404.769311 1564.964068 789.8600756 1750.629539 2212.203894 1811.737448 2295.344104 2311.946298 4.07813e-08 4322.292613 4.07813e-08 3142.54145 PC(6:2(2E,4E)/6:2(2E,4E)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 215.3665902 2956.220927 4487.294191 3998.321484 3176.734259 5085.009956 2931.301533 2091.334356 7901.736809 1900.799369 200.0769443 4.07813e-08 4.07813e-08 175.5864444 421.5542757 364.4691773 4.07813e-08 432.504513 271.1160118 887.7564024 2807.129041 3721.336259 787.0542384 7268.596732 3097.068995 342.3105839 1413.752781 2949.483237 4.07813e-08 4.07813e-08 464.0015844 4.07813e-08 274.1338435 196.2855464 208.4127286 635.1286894 399.0602918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3468.924474 4.07813e-08 2345.868196 4.07813e-08 Kukoamine B 4.07813e-08 259.2424402 341.5778571 356.6362039 4.07813e-08 4.07813e-08 4.07813e-08 1433.164097 308.1883084 8696.94577 14550.13824 10012.04921 8872.777145 4839.15043 15466.43926 11580.76047 5900.184301 8809.813983 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 545.2140138 4.07813e-08 3848.045239 12512.26781 6013.267687 8903.728763 9502.086586 11521.12635 12256.77938 7013.504356 6060.867709 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.915462682 4.07813e-08 231.4050902 4.07813e-08 6634.225104 4.07813e-08 1409.127649 4.07813e-08 SELINIDIN 3870.935436 4349.125909 7714.13602 6603.515833 2771.169353 10653.65875 10737.58304 695.6534673 324.4771645 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 233.5585296 4.07813e-08 6964.712344 11113.63263 16075.61852 18642.03524 23416.03941 15443.86077 15924.5149 7446.376116 8877.47428 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 238.4797855 4.07813e-08 16720.25304 11045.44477 10837.10866 16108.97998 18335.44362 18295.86446 15819.77014 4724.447182 21332.35343 1428.95728 4.07813e-08 6997.668545 5304.804636 5732.620774 4.07813e-08 5101.530431 4.07813e-08 5973.470625 U-46619 Glycine methyl ester 2331.971199 1412.870501 4079.818344 5696.701135 7700.135534 4189.625153 5651.169696 4352.577137 10497.03876 4.07813e-08 115.676175 4.07813e-08 4.07813e-08 255.3569571 4.07813e-08 4.07813e-08 4.07813e-08 123.4691253 11551.82709 21890.30133 9719.599638 6887.4473 10136.20379 10598.50324 4226.453595 5730.463274 5073.453671 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 123.6332359 4.07813e-08 4.07813e-08 4.07813e-08 3708.098092 9005.84794 3413.324318 7908.599077 10124.59668 8585.721445 9909.640297 5838.014753 8627.389167 6642.095345 5507.82294 6590.168663 6908.932229 5337.805648 595.4264662 7813.032482 165.6041838 7592.412395 5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone 4875.701945 9001.023601 10330.77064 14552.12474 16121.81124 7109.793537 11604.04903 8689.062008 7813.983206 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.32411448 81.44279591 4.07813e-08 4.07813e-08 105.3608854 103.1126099 643.2663746 936.1432082 2554.415282 831.5200837 4.07813e-08 2482.821432 4.07813e-08 1007.532843 4.07813e-08 4.07813e-08 107.7527195 85.57129973 95.9426254 4.07813e-08 189.7151538 4.07813e-08 4.07813e-08 7161.392655 1138.101969 2238.713686 810.2958154 954.5949225 1427.618876 4.07813e-08 4.07813e-08 2983.346145 679.4029255 597.301082 1541.235663 6140.644864 5257.979786 4.07813e-08 3848.61282 4.07813e-08 3034.714617 Pregnanediol-3-glucuronide 885.8468724 1112.887418 1854.751017 2170.748904 987.9339584 1410.882125 3996.812925 1323.349317 4.07813e-08 100.6360371 761.2912062 4069.678293 318.7824083 4009.803771 12856.7969 884.4229465 4176.512115 10494.97497 526.4873436 362.9330297 2672.284101 668.3625796 906.5817632 1513.174221 2047.75407 2769.743457 493.5844713 11474.18244 435.9655967 345.319728 574.4358292 2.257551615 2295.523033 1430.425259 2546.191068 163.0109608 2099.199534 211.4176087 3348.614731 3656.701125 1232.580706 1575.818019 639.2542727 2297.808554 409.4746852 5641.02342 2169.385183 3167.124127 4905.617918 2196.105939 1912.450033 2129.015332 42.44150726 2056.262068 tetranor-PGAM 3814.112743 2997.693365 3496.648567 3397.363519 5083.193069 4943.981908 5374.511814 2451.914299 4322.005004 554.7837383 1148.029611 246.670393 639.9096836 1243.009975 125.4788267 498.5372163 1046.437869 1535.121689 7070.041203 6499.880513 7231.643718 7615.897936 9443.707194 8128.912634 7966.071541 4007.538894 5541.630795 273.3194598 533.2425118 1066.163237 702.2270124 1663.629821 621.4959098 398.7138818 408.4779094 1418.264502 4915.292685 5907.681223 6412.25089 7168.223129 8507.120242 10703.6068 7914.198249 4175.220693 5594.589468 8359.793053 6052.204774 7296.596343 5163.529343 4881.46662 1264.654872 6677.182094 686.1946793 4441.32191 TMC-1D 4.07813e-08 623.9666209 124.721744 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 221.2063993 655.110169 21093.82168 24192.24341 27645.7758 16139.20417 24109.18932 35135.122 52414.63104 34046.10666 48909.40539 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10210.54254 15169.49985 32856.54159 18589.99734 39335.94084 12561.84426 33669.4415 13829.49869 39396.64199 4.07813e-08 4.07813e-08 184.6192152 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12456.99347 4.07813e-08 3758.691532 4.07813e-08 Pentadecanedioic acid 3725.312113 3643.695965 3100.867943 3906.431613 3408.809644 3151.240642 2979.076694 3101.609993 3054.370716 2221.461131 1894.879428 2218.327226 1827.20411 1458.636852 1186.126044 2288.140415 4.07813e-08 2292.427257 2154.484112 2358.69913 1876.304231 2120.712866 1344.092919 1420.633191 2478.603213 2711.814645 2319.015166 4.07813e-08 1992.075148 2226.570065 2029.056997 2027.997853 2635.513562 2001.392747 4.07813e-08 2673.121414 2590.561076 1823.873706 1921.122635 1386.44947 2065.292146 2196.965001 2578.738814 2926.106711 2406.038382 2075.399633 2097.096913 2197.967349 2593.418398 2598.934834 1701.225206 2515.289396 2338.21785 2758.426638 Ganoderic acid Me 11333.33294 22628.60043 5835.240049 14513.64097 12509.09412 5680.494891 13437.74759 13269.10987 20261.38248 114024.6066 76121.6309 479170.5932 116797.496 803063.2923 325656.5246 385019.2105 531030.7733 365439.0085 3415.83092 6610.862467 3166.246757 7337.769242 18996.62554 13989.91151 9635.15307 2419.935367 10354.38091 232133.5061 87340.55236 7782.638637 89491.21302 31765.73671 17809.91023 62614.51724 205235.4068 55761.70456 1211.787508 5492.664584 1711.881584 5785.750112 8562.303657 10633.81741 12045.04616 3561.948835 8881.10765 5987.486221 52524.24641 9827.549738 26978.68213 3394.985512 188003.914 12089.89536 18592.74693 17560.66457 XANTHYLETIN 1118.313915 482.3135754 1087.851755 696.1949771 979.3308634 1238.753705 1738.852051 447.2477638 985.1675126 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1487.310992 2347.864857 823.6849768 1841.233782 2490.552575 2377.496377 2187.467883 934.6523329 1109.605266 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1736.738176 1973.164338 1333.479989 1092.3556 1984.199856 2609.004479 2264.413769 882.9262332 1414.222448 2432.952975 2022.654448 2034.428597 868.9509918 633.8553323 4.07813e-08 1937.880311 133.7084546 846.5067845 Arginyl-Threonine 405.9752608 574.7333164 4.07813e-08 281.3512171 4.07813e-08 77.05264614 112.2639544 4.07813e-08 583.5984626 5381.091725 4490.842722 12171.42408 6294.249257 10837.55555 11277.91609 13498.92894 11488.38295 15618.87722 29.0258323 137.6664202 299.2396628 4.07813e-08 182.8431293 313.0921958 4.07813e-08 183.1459716 130.4511397 7451.972057 5355.873125 597.4737101 5289.202161 2800.855585 1361.133833 2717.028133 7044.222223 3863.345527 154.4800529 301.2284146 6.843548701 4.07813e-08 4.07813e-08 183.8243729 120.655552 157.1383897 75.78961047 475.5297116 2883.047421 250.7059975 1742.01696 82.51579925 6120.097906 723.7745468 1313.028839 601.1235407 Terbutaline-1-sulfate 10216.61231 6864.463065 8917.43435 8394.397185 10177.34986 11001.00828 10999.99969 7488.252503 5773.755571 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6486.375167 9725.452854 7363.116017 7065.915297 8057.326444 9305.759419 8285.548671 9539.209871 10123.09166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5288.264532 8292.029253 7595.167634 7523.157109 7606.007978 8292.18198 9754.902526 9350.910254 7708.193283 9582.709531 2973.846046 7336.040693 3137.183316 3119.202496 4.07813e-08 6218.614872 4.07813e-08 6653.691306 Lycofawcine 6523.987529 6958.06137 6590.239573 6766.384324 6819.872825 10935.70716 10239.38772 3974.903823 5820.131838 1074.346528 865.5389493 442.7994391 1403.397565 925.8052826 2075.510844 730.7292539 219.1705323 733.6977536 7527.030206 9519.133309 6046.019214 8929.677016 9322.534447 11332.91867 8531.360575 6171.842692 7043.018833 4.07813e-08 602.1263309 1789.29307 862.2013912 1146.407351 1097.71799 1039.425787 1663.390021 1652.988849 10325.6764 10861.43221 7018.717148 6473.276145 7085.770025 8984.908534 11897.70286 5975.277957 7071.678963 9230.515755 7957.054223 9141.770034 5700.25973 5417.751279 866.5870156 8236.656807 732.7172992 10026.20728 18-Hydroxycorticosterone 475.712208 371.5352907 414.2349833 192.6072173 301.6673153 444.603712 72.66785696 15.97686911 156.2985772 5385.946613 6168.084203 2096.489544 6290.096619 5194.851253 11851.21181 2747.462959 8496.010707 6474.86874 1051.822416 649.1358894 522.796681 865.1241207 1876.272374 1171.058353 384.9646578 724.0918262 1002.040041 3288.41647 2437.318578 1631.372562 3386.947981 9055.781529 1143.076435 1894.556535 1438.227339 2288.406629 447.747273 1308.393473 103.387126 582.6862739 1011.554005 132.7773709 463.10894 767.48106 952.1539872 672.445493 550.3550078 280.0624604 129.3177456 444.4378085 7700.633945 101.2947015 3587.161819 4.07813e-08 7-Hydroxycostol 7810.980878 3107.430207 5181.562819 4187.897387 2628.070915 9277.26849 10032.47258 5590.571416 3122.483515 1557.491779 1291.837605 1012.334464 1449.278917 1661.584901 1358.948158 2272.13561 2149.744492 1868.506732 3544.516199 2798.778581 4141.25395 5083.018649 4299.311426 4203.45691 4251.984025 2684.177334 2244.789531 929.6648843 1445.71311 1398.586779 1697.367669 1264.974265 2094.56675 2557.891268 1940.262849 1917.160857 8372.22694 4256.543536 4458.879013 3911.260194 4785.360271 4103.062448 4811.421466 2429.418922 1911.922109 3476.51932 3555.765669 5431.811775 4526.042375 3293.26951 2779.45172 3227.191189 3008.766087 6488.457496 Tetranor-12(R)-HETE 43074.43976 39584.17034 41412.09894 41663.68144 43071.78645 45007.04552 42763.8129 34127.99725 40751.14948 18925.68412 18852.99049 15678.52728 17282.66295 17291.85927 13183.50025 22247.65059 13587.56892 20594.589 40506.47369 36824.76245 31229.27702 34882.964 37005.39714 40692.91695 39982.22425 32942.94899 31082.48009 13088.48994 17514.76539 19715.94626 16499.75119 17649.38129 20326.38015 18741.10107 17517.01095 24283.96489 32449.71636 38374.91518 34692.71888 28479.37638 36532.13364 43601.43401 42851.75117 35120.47396 34781.50165 34484.22357 30348.46737 34950.09946 35246.57093 29386.75428 19093.81018 38870.79836 23125.29411 36323.67971 Rhodinyl phenylacetate 7200.703602 4228.091089 6147.58984 4838.02525 5352.595101 5551.180615 5366.518068 4528.946315 4457.917197 1628.062158 929.3737563 1666.749547 1552.461018 1134.874448 1517.131773 1022.330938 1820.408794 728.4831126 5558.016602 4428.717594 4096.629976 4489.788318 7726.859174 6700.503552 4786.845558 4064.222219 5721.813807 1079.535296 641.7677843 1042.264339 1867.516208 410.8426363 765.9555884 1570.99561 2498.038595 1301.703706 2730.639997 6649.58382 4143.036252 6373.885751 8261.248113 5977.989573 9418.517534 4422.619998 7842.289894 5199.104549 3001.512133 5042.590199 4624.21679 3928.108851 447.7070841 6053.203166 370.3355457 5012.690286 1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol 4.07813e-08 137.2918839 4.07813e-08 0.085968207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 149.7792387 1260.198019 969.5603743 1194.907819 1388.964947 1308.779254 1318.045147 916.1112741 2475.498551 7452.862543 4.07813e-08 4.07813e-08 4.07813e-08 0.054598989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.228369391 7180.755772 3402.603487 3876.95698 2527.877991 3747.801332 2698.017711 4403.879517 1559.291162 3601.077102 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.000229994 7.175692402 3.240429061 4.07813e-08 123.2538379 357.1496839 570.5987397 16260.65189 410.996615 2079.54516 0.250274494 (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid 3120.152919 1143.079762 2784.30938 2365.520257 2968.328665 2128.811275 2509.825536 2580.172432 1682.552117 55.27105993 55.04192613 4.07813e-08 187.7939709 119.3432175 157.6275114 116.4907557 4.07813e-08 4.07813e-08 4903.617017 4879.863367 1854.532367 3754.012366 4897.098713 4569.894742 4092.136616 4854.529384 5721.500886 157.3473343 4.07813e-08 269.2431401 4.07813e-08 137.1645892 229.1088393 4.07813e-08 1154.90405 183.2532983 2975.84307 3717.878711 1525.699882 3798.919399 4816.104036 3580.993119 3825.728466 4943.912909 5038.485095 3866.565988 2954.91903 2145.859945 1486.916259 1320.238214 4.07813e-08 2053.027427 4.07813e-08 2729.983282 Pregeijerene 1996.051606 1713.194733 1812.625599 1545.584833 1781.288883 1838.096357 2022.411686 1790.011461 1872.688035 1200.694836 983.5204671 932.1506492 970.5556277 1211.888272 1049.423095 1370.528256 960.428737 1283.275963 1433.57618 1150.142893 899.623299 1663.587101 894.9049285 1131.646716 1337.379624 1433.26694 1682.430277 1017.055911 1138.533463 1322.303544 1459.687592 1163.15467 923.5750074 900.0600789 1801.845431 1160.340454 1397.284324 1189.961302 1268.662812 1177.454413 1477.243394 1252.33479 1195.417303 1453.619367 1024.220734 1466.309717 1360.728041 973.6783404 1542.225444 1316.459681 1088.540581 1371.733901 1583.20899 1712.8678 2,2'-Dihydroxybiphenyl 689.3522638 339.3630385 646.390832 427.8798893 681.4691344 904.3096164 865.3185691 335.3849041 583.7083424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.87186705 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 646.727136 808.2489574 452.7553111 699.7037367 683.5311591 1136.044903 475.0108527 414.9907177 433.5696845 4.07813e-08 4.07813e-08 72.44990127 4.07813e-08 4.07813e-08 4.07813e-08 29.98660571 4.07813e-08 4.07813e-08 387.5736771 974.7882587 534.0799877 578.7146078 675.4952101 632.200915 992.6411186 497.6179294 273.3245829 1296.514478 984.0620826 902.3287637 662.4311457 418.8677081 4.07813e-08 748.4360229 4.07813e-08 693.4955768 (6E,8S,10Z)-8-hydroxy-3-oxohexadecadienoic acid 14833.5474 10712.83138 11367.71063 11168.22127 12227.93507 14700.97612 12514.24132 9901.623774 12494.09027 3973.488059 3986.887152 3001.230449 3783.254487 2371.229566 3049.115952 4513.819539 2173.039478 5436.628387 15358.56603 14946.14304 10489.01805 11672.71662 13708.36264 14652.71525 13514.43537 9973.457349 11971.25229 1745.309959 3603.254162 3998.584672 3323.069596 4176.179939 3456.371889 3664.514164 2812.945948 5558.493178 11754.72089 12870.37742 12019.12999 10369.40644 13182.43754 15624.87357 14510.88319 10842.10096 10566.01652 13619.39066 11702.01363 13392.51305 12138.06181 8798.822687 4867.11368 14394.42241 4428.046218 11803.48943 1-Acetyl-3,14,20-trihydroxywitha-5,24-dienolide 3-glucoside 444.2764693 2508.335445 290.9289117 202.4935636 225.0732083 19.62945157 4.07813e-08 2484.15734 4.07813e-08 36624.15661 21128.59428 3723.243461 40601.36559 4421.932699 23458.74213 3741.194559 31112.13666 50160.32151 420.8814451 477.89952 739.3270565 4.07813e-08 7.738563373 360.0401968 1026.181746 641.4827739 160.0603036 34357.89205 41994.39444 3871.727334 36065.93452 43098.7986 17855.58727 45346.76681 6429.29676 10615.60114 2169.456982 9.818626215 4.07813e-08 285.6215011 137.9697256 4.07813e-08 414.9893838 4.07813e-08 4.07813e-08 2986.653633 155.7459479 6.223323921 866.8254626 592.9866572 57966.47062 4.07813e-08 43198.21292 1914.674218 5Z-Tetradecenoic acid 578.4903997 429.3526737 946.5255592 605.189904 800.3459787 889.8558929 964.0028468 722.7971077 657.2596419 321.1135536 392.8784733 230.23416 305.8472813 359.1458221 162.0041143 440.3231201 4.07813e-08 275.9233953 1782.677805 2060.910875 442.545395 1449.406024 1688.876555 2286.154387 2098.253353 1689.183363 2049.295381 221.3180667 233.9508552 292.2661556 394.2555234 374.0165377 265.9830269 177.3448824 310.4410429 290.9473995 1109.910794 1602.799455 849.1296183 1607.587116 1969.986048 1472.152071 1971.645198 1957.633553 1318.327541 1715.744832 1252.418822 1014.293274 872.4857858 708.4022429 44.39810248 1244.021779 297.8764199 1303.464206 Cymathere lactone 1274.085136 1898.045435 1764.996715 450.5771195 1383.623129 1575.392718 1317.643684 947.0150047 1249.65901 838.5840036 845.0601655 915.2753226 583.5548385 825.2292878 967.8149486 442.5825931 4.07813e-08 989.4446852 2872.431875 3659.462926 2682.127062 2085.548044 3295.472821 4165.477303 2707.629436 3688.355085 3741.504894 554.4744791 901.8433871 1386.787418 512.9016145 1037.970033 158.788733 855.8625557 1457.435979 94.10396684 1297.875813 2331.521095 1569.388648 2451.253992 2648.302626 2257.466383 3437.037835 3622.605463 3553.022575 5264.139014 2183.831705 2544.307663 1797.838847 1079.813256 694.947763 2111.303735 4291.834144 2415.552471 Precocene I 1741.263781 1400.279821 1696.757164 1657.972078 1718.026025 1360.463849 2403.592942 1109.267591 1363.483956 364.7063322 494.6507844 356.0720456 341.3015117 302.8649166 428.8389604 454.6898798 106.6234513 433.5713714 1605.073803 1700.160261 1714.384137 1690.663574 1698.974061 1947.034593 2069.638989 1399.784365 1320.920585 442.3229288 469.399148 602.4866957 306.4287255 209.2870699 436.5905491 326.9539308 388.2058389 618.1831064 1514.797936 1863.020983 1590.787494 1332.274821 1723.268433 2174.019607 1664.272295 1446.581422 1497.4941 1825.222776 1617.950669 2367.975233 1412.269856 1016.374546 308.3995789 1710.595168 241.1210427 1236.359231 4-Hydroxypropofol 5318.552247 4949.999722 4727.856934 4368.510954 5154.891963 3615.584283 4375.55792 4456.972597 4410.435126 3148.085726 2938.923652 3030.529234 3193.956752 2885.692216 2490.593205 3541.791873 94.2562689 3163.200591 3019.60001 2922.416661 2871.665517 2781.30978 2891.396926 2760.260238 3903.285255 4034.066367 3317.114299 1645.210543 3164.706959 3785.362541 3324.284242 3115.883394 2922.063213 2710.091025 2561.954949 3367.929301 3456.056909 2831.198741 3314.508528 2481.253313 2945.990595 2991.712454 3012.185066 4179.569428 3238.266559 4069.827499 3657.294736 3251.643184 3654.315791 3490.494933 2772.568932 3418.250158 3495.199162 4091.933884 3-Pyrrolidineacetic acid, 5-oxo-4,4-diphenyl- (9CI) 1204.539203 619.2311652 985.0667384 1591.644033 1923.74972 1049.630796 1634.283321 415.7970234 439.5072559 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.674389142 4.07813e-08 4.07813e-08 4.07813e-08 1.469914946 1107.529692 2473.278925 96.64337594 1216.583577 2738.089172 2778.90887 1894.649899 834.4699725 2104.768832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6.283115774 4.07813e-08 11.52007279 4.07813e-08 904.3319707 1451.496271 173.8981618 915.0774172 1138.621022 1977.440861 2115.325991 1123.293097 1372.46161 1777.401917 1130.249113 525.0686708 201.595889 34.62271679 4.07813e-08 722.028197 4.07813e-08 2328.144355 Dimethylbenzyl carbinyl hexanoate 3898.294231 2775.908417 3708.577921 2885.799884 3320.512242 4614.112044 3733.534415 2591.865626 2948.658326 1174.141102 1431.213004 2369.753346 1254.729019 5663.009659 1606.103268 4648.675166 14764.07514 4217.620916 2844.620375 3128.794012 2644.461031 3411.194811 3297.693482 3955.594977 2895.053313 2699.130578 2566.878852 4266.387468 1984.918487 5688.146383 2213.491707 7508.697109 3159.099982 3777.363098 10744.71921 8665.627519 3068.798116 3217.943885 3053.954291 2763.462824 3367.852877 3267.277805 3125.937276 2782.572317 2099.951136 2945.183949 2931.419419 3425.591441 3114.094602 1979.289636 2791.104519 3695.875721 3224.574818 3146.168151 Philanthotoxin 343 15934.23581 13325.76752 18780.57101 25016.44092 32813.81972 37233.80246 17228.70101 10004.27967 13920.63792 365.9402289 555.178275 1036.203145 350.2256954 2136.12469 392.3475885 4.07813e-08 104.8793234 842.3335544 22336.26502 21883.61104 16823.71664 17708.30739 23184.20529 23579.22795 15639.94832 16209.20159 21698.76407 4.07813e-08 408.3028462 1411.981185 15.58751027 456.4433856 245.1344008 4.07813e-08 4.07813e-08 3272.100615 15207.30372 19358.07985 15093.53165 19709.91883 16255.99422 21631.73392 21425.39749 16866.42526 25984.01576 20340.7158 19590.45178 23586.18728 12569.60509 8914.88888 1441.593815 17313.80953 1062.627379 22123.93008 Marindinin 906.6643354 980.1971042 351.7876442 521.297277 638.7106567 795.4958573 1216.272773 2017.509534 2729.616833 117.2536295 51.37628711 108.666737 121.4087496 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 813.0229642 761.8021548 6891.759596 1453.305139 5547.378817 1929.903751 2836.87396 1173.38522 678.8781047 269.0770386 120.6496308 4.07813e-08 59.46422146 103.9678344 44.26884225 141.5733444 87.85474127 4.07813e-08 1540.937124 984.7631368 871.9696356 1700.707061 1069.212937 1624.337979 4030.386959 1252.595712 324.6006222 2067.592726 1068.579562 2571.498912 1877.381811 3418.898615 75.18179322 2958.810308 115.0018616 1989.763366 Lucidenic acid G 12418.42104 11043.66607 13049.43181 16215.61036 17097.39126 13693.97966 12297.99555 6448.974473 10935.52911 8034.110298 7039.466155 9506.108797 9737.191723 16506.28246 11703.44409 5175.815654 3823.846495 13567.64687 20030.94374 19789.70449 16796.31337 21689.02379 22614.52343 17244.47775 17564.10873 18772.07817 19659.02964 3486.815861 4896.599413 8130.826597 6046.198139 10073.90079 7138.82247 5095.913736 4384.914854 8018.737502 14158.71016 13951.90454 13841.69309 17669.19223 21025.23953 18196.05961 16705.95334 18025.35454 22917.67104 12935.50374 11237.37769 14536.89487 10081.97624 7960.476112 9007.84918 14698.79476 7620.274503 12551.63021 MG(0:0/i-15:0/0:0) 2054.389834 2407.922894 2738.241825 2412.400153 2301.237271 2006.18645 1970.269459 2111.845014 2222.690208 1600.128668 1224.757782 1654.046231 1480.741413 1053.963774 1317.337844 1781.396955 1940.887593 1513.312757 1471.145056 1765.573826 1750.435559 1783.220246 1102.346975 1059.664148 1776.160579 1962.37106 2036.374287 1879.562439 1672.603588 1789.667086 2181.880528 1396.344715 1754.938548 1692.978794 1997.631861 1945.368108 1849.119393 1638.205005 2018.479071 1737.750494 2752.692483 1886.889138 1583.172401 1946.30169 2030.868235 1812.123035 1920.460255 1578.743088 1966.18997 1811.729817 1423.863738 1617.114959 1449.538003 2682.04822 Grepafloxacin 529.5433564 4.07813e-08 689.1411826 153.8309848 4.07813e-08 1018.971333 600.8243736 782.1702007 1203.549603 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6064.02053 2717.866898 1492.125693 656.7473252 2493.90781 6213.938404 3581.080051 576.084021 1246.030933 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2339.475712 3021.64738 943.3467811 3556.995629 1046.555108 1666.666809 6382.41839 152.2864292 4.07813e-08 1856.686587 1163.502644 1861.921475 851.2806049 699.6353011 4.07813e-08 1605.835724 4.07813e-08 4.07813e-08 AVOCADYNE ACETATE 894.7636432 4.07813e-08 1203.535444 241.5458114 353.3893989 1747.242445 990.21554 754.0274848 336.8167039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1664.568374 2422.448924 1198.522241 1186.985013 1314.761931 4126.61822 2407.868959 2738.261473 5883.39033 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 573.5556826 2253.349418 951.8002158 1746.479563 1413.713969 805.9908516 4092.225424 3326.90988 2119.977918 2711.23745 1156.109129 1689.496799 832.0782738 96.85300372 4.07813e-08 1599.821303 4.07813e-08 2102.957066 PS(O-18:0/0:0) 2632.597592 2453.499884 2825.474933 696.4916654 2117.476993 2301.036053 3609.531291 4.07813e-08 326.4857649 1112.871055 1565.159952 2596.983682 1336.35008 3066.04669 5638.275612 2976.543095 4563.911616 625.36425 4159.686899 2015.138678 2743.111061 1802.376422 1227.847825 1614.070973 2619.173174 1779.278736 1770.798365 3148.254048 2684.140326 2244.325507 3619.938632 3610.567082 4237.536393 2704.489672 2187.907977 2763.152262 2767.623205 2698.224005 3137.412143 2316.056564 2026.110589 3542.830303 966.642317 2189.278026 202.1521141 2068.273965 634.1156901 2006.842078 1333.266672 3666.354132 4083.005396 1751.15184 2104.539976 1181.245004 SAPPANONE A 7-METHYL ETHER 175.5988322 867.2776 991.470465 786.1673268 619.4528837 4.07813e-08 1235.194086 4.07813e-08 4.07813e-08 253.6498567 1775.669081 3496.174493 257.9819565 3480.476144 1689.710549 5132.072815 114.7249564 89.28827186 4.07813e-08 441.6377307 211.9360664 177.1307735 4.07813e-08 4.07813e-08 91.29092843 119.8866847 4.07813e-08 559.0169577 780.3219892 1644.871239 897.9492409 471.5111138 3546.164499 346.6231698 1768.202685 1961.40189 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 276.576504 4.07813e-08 4.07813e-08 87.81908694 4.07813e-08 815.6441417 2404.93244 380.059922 255.7502661 366.0764292 1033.447418 4.07813e-08 2862.23038 1073.61344 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 41193.22843 64418.12547 76352.56438 30950.73524 19615.49178 53314.39937 24815.862 131247.5811 114943.4429 4.07813e-08 4.07813e-08 2970.892277 4.07813e-08 3340.108679 2911.47999 1551.353658 5279.238523 3616.789776 97508.63206 73838.34247 77142.14596 49806.74904 38232.25286 7537.472448 30380.42495 3092.62053 2114.904917 1515.008524 2040.240992 4.07813e-08 1915.85996 2.564639364 164.4819397 3766.739683 3964.686348 483.0529733 68892.17881 55168.97041 75618.96814 68629.48816 57198.22775 68262.52473 7728.312919 3494.334227 260.4572639 104471.3268 83645.20428 69590.26294 106297.7692 66078.88508 14324.86055 105598.397 1266.735343 51756.05077 Cannabidiol dimethyl ether 1785.447324 1442.581769 2119.610439 249.2916709 368.3196034 2987.019065 450.6638943 4210.259673 3044.114762 1470.64351 4.07813e-08 22148.61897 1574.952581 30238.69801 22789.76993 8290.282489 31819.10843 21732.24099 2237.671858 441.7487289 3195.001938 576.172444 82.49472663 4.07813e-08 4.07813e-08 4.07813e-08 119.1787281 9806.653722 14853.91687 545.6254334 9321.446677 3765.044658 1517.028344 14476.67183 17039.47506 4938.477931 3615.493263 320.6594526 4411.076379 678.6267557 94.81882909 522.9333548 4.07813e-08 4.07813e-08 4.07813e-08 4129.305724 9196.176145 4579.45212 4469.520752 1624.239454 4050.74267 5275.104162 805.9869322 2335.228794 4-Hydroxymibefradil 166649.6289 152451.2973 174924.6311 103931.5829 87362.91265 154996.7858 95628.64541 170313.9767 152583.8159 59494.28297 43847.23628 85035.54893 52446.69382 85648.83219 73915.54433 87035.75916 60721.77154 56176.5223 90872.33613 98705.32334 115198.5827 110076.4879 44397.63394 6702.815266 49301.50023 15968.18086 2967.678787 79210.77524 140373.0884 81930.74115 122206.0947 106603.1467 72394.34926 115891.1418 97342.34807 90713.98203 157546.5499 67506.98761 141827.6774 91752.04072 64585.14865 72561.79211 8099.833618 13602.70099 2671.688079 152236.3358 152583.4658 135246.6154 134448.3482 123670.3985 81190.19287 131338.4936 67417.33268 112073.0109 Octyl butanoate 4520.142381 3892.205959 3598.082022 3933.104517 4018.531468 3279.756545 3702.974908 3860.894169 3927.326943 2673.311643 2357.665417 2350.681667 2682.990385 2912.092366 2023.833752 3473.113845 2127.310962 2981.716312 2637.898769 2698.713855 2495.969761 2691.073465 2523.053964 2779.073006 3094.275328 3389.66476 3068.390509 2403.779689 2683.746593 3013.770284 2821.717193 2419.692721 2877.957496 2454.651309 3084.52882 2948.667168 3371.051076 2541.437186 2945.130662 2622.430743 2603.343369 3075.888713 3054.448906 3347.954002 3420.049311 3095.193976 2925.744934 2662.977141 3305.159696 2912.481553 2394.992568 2821.62466 3277.06614 3702.463677 P-Hydroxydesmethylgliquidone 263.6429595 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 229.1120527 4.07813e-08 511.6792094 4.07813e-08 6021.622858 428.1299201 15277.02117 18655.98906 8220.339445 39797.68747 5983.297752 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14616.90732 6955.815717 195.5487119 24110.51033 14782.48403 6522.844812 13324.81704 30574.63531 2724.130751 219.1950887 4.07813e-08 198.2170496 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 656.3286218 2014.312113 4.07813e-08 4507.104656 4.07813e-08 7734.216313 251.4145798 4.07813e-08 4.07813e-08 MG(19:0/0:0/0:0) 1316.648683 5090.571642 14611.17527 13973.43603 18860.77991 14731.07665 11098.89959 9646.680629 5935.816532 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 443.5016217 479.3311039 5243.674135 3166.090218 833.2704556 7054.257823 481.9546874 191.9325039 4071.51833 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1443.96086 1100.715832 4034.865389 9521.664829 4986.621769 408.8006059 8043.727666 4.07813e-08 666.1831671 326.105215 4.07813e-08 1363.134962 1067.312757 1326.449787 4.07813e-08 6526.691418 4.07813e-08 5636.482381 11-keto palmitic acid 6104.849641 4176.985451 4955.62703 4772.726165 4640.869306 5188.152874 3601.28626 4977.434144 4095.3554 2484.63558 2925.657044 2349.669398 2557.957981 3895.438166 3163.198063 4280.733725 2999.451452 3082.413643 2585.793707 4895.615148 3742.095384 3205.497172 2653.639034 4383.659936 3793.974281 4603.51102 2958.824115 3106.846803 3066.094983 3566.474589 3350.401617 2819.954237 3508.486499 3430.221081 3149.628251 3802.894273 3506.120128 2651.612297 3026.805157 4326.090732 2659.024427 3439.191836 4521.270925 4291.823941 3025.396255 5308.091036 5572.900191 2606.642781 4350.100847 3411.119695 3690.693499 3819.718451 6147.544942 4395.823566 4'-Isopropylacetophenone 1208.213526 661.1761542 927.3135682 1151.8994 1005.032629 2907.524921 1580.297026 890.0580991 1672.477688 2605.422129 436.7586129 3538.031022 2091.47805 8008.083016 7641.61696 3515.116418 9570.50258 5608.763539 965.4874314 2262.076495 1539.0646 2071.98549 2073.04126 3685.038332 1581.471288 795.4975265 461.742719 3015.34698 3220.697365 877.8678196 4418.303166 2096.351185 1071.415316 2414.354944 2934.277472 2173.392338 1128.765164 1235.717914 1026.976858 2132.550475 2218.565359 1444.411159 1756.406695 745.7322314 588.6372061 3683.761166 4199.265215 2562.386063 3137.517789 1269.37544 3074.232364 2575.355797 1106.376243 1651.645499 2-Hydroxyhexadecanoylcarnitine 4.07813e-08 161.58654 4.07813e-08 4.07813e-08 4.07813e-08 211.3353427 146.1832419 4.07813e-08 1.635855952 2814.180606 6565.256539 5880.446412 2900.805075 7396.23072 23516.1678 3985.923632 9519.263068 1431.843956 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 221.0952145 4.07813e-08 4.07813e-08 195.5812939 4.07813e-08 3554.887565 1615.986099 6927.156103 3577.454584 2065.037501 2933.801422 2126.409829 2905.344976 7292.780551 205.0876273 4.07813e-08 4.07813e-08 0.255116735 4.07813e-08 179.5809775 4.07813e-08 4.07813e-08 134.773328 4.07813e-08 279.6587363 4.07813e-08 4.07813e-08 4.07813e-08 2032.069335 4.07813e-08 2257.451707 4.07813e-08 Coronafacic acid 1358.335678 1536.516165 1491.964173 895.7090085 1766.571174 1207.883395 1414.221013 1317.248007 964.750808 1078.390924 562.6691121 612.8653547 975.8686771 1114.696587 840.9605542 805.1800624 920.595562 1175.616754 902.160557 898.9518249 669.8638018 1383.219112 751.2427049 1209.070967 932.7775223 927.5076187 627.5856565 666.6147837 1071.014273 1441.196285 986.0612919 878.279003 721.7046341 418.4412794 514.9439793 1021.358914 810.8111869 1204.08794 810.0879688 974.8174385 912.7020587 847.3855454 916.8046027 1876.430681 758.5999442 879.3538878 1250.143082 1263.716774 940.261874 754.2204281 750.7370137 999.3229327 1159.536985 1680.411602 Dihydrogeranylacetone 1841.628544 1438.003198 1810.168848 1465.192612 1574.589854 1127.967007 1314.997654 1611.916902 1690.795186 1059.534621 1001.824908 982.6417868 1064.750724 1205.315606 800.5310714 1374.603228 1226.767609 1072.327657 861.0074715 1133.337732 887.4480398 1419.441982 866.2793796 1255.658895 1605.716716 1421.42653 1503.202846 1190.809957 1137.386269 1370.155345 1192.2646 1081.383443 1182.210358 1027.643268 1218.848945 1452.720138 957.7671551 1129.8134 1218.870165 1059.413535 1425.455974 1336.85455 1179.210348 1424.805044 1168.259041 1228.053158 1174.774837 1449.146989 1431.010749 1186.389038 1091.902797 1205.97452 1093.86669 1553.574716 (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate 4.07813e-08 4.07813e-08 4.07813e-08 356.204619 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181008.2862 146380.0735 98552.33379 152410.2019 128194.4796 83224.70996 72766.47316 105925.4705 141451.3697 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22389.88404 81638.22615 21388.95189 2920.511819 6616.955726 6616.206885 39560.34607 29220.73791 63526.92878 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21074.61197 4.07813e-08 47880.33778 4.07813e-08 6-Mercaptopurine 4.07813e-08 274.1024504 4.07813e-08 350.2162882 364.2074181 330.2774734 378.8771032 172.5036256 4.07813e-08 57628.85324 54596.64244 27808.71833 47864.56015 39211.53226 22954.06659 43999.18467 31925.61323 41541.81207 4.07813e-08 2797.838411 260.1548748 4.07813e-08 1041.655997 4.07813e-08 4.07813e-08 98.55512233 4.07813e-08 37053.45328 39477.90256 29600.66169 43589.84036 45106.83463 38453.64758 49506.84941 18699.76241 36650.66703 298.2519233 4.07813e-08 74.09101457 174.7452079 67.61563619 182.037476 106.6217345 4.07813e-08 344.8065121 85.5404913 292.7879099 74.81858785 78.92731123 465.3432191 35672.34553 552.8516781 156960.1567 81.31905785 Lysyl-Asparagine 16172.1463 26453.76905 12139.38189 12977.64089 9968.883783 14809.37665 5700.348642 25541.1161 35387.40889 16669.8703 19271.39102 27319.71299 21178.89741 11635.5126 18159.5049 20104.33132 16892.34507 18714.10623 13683.9845 6502.409677 20453.96532 11780.00722 3524.08457 1069.662841 7087.410148 17876.66042 9265.104874 20035.83738 17871.55943 14902.24519 16828.51963 17709.4728 7079.396245 24440.86303 14596.77189 20044.4754 7423.140799 6164.55922 16792.6202 12118.8362 8882.699716 7587.033458 835.9737757 12895.36435 16206.33046 7405.259183 10602.63323 8256.890133 14738.25343 25753.05953 6006.338276 15979.16392 13805.3996 4277.934434 Guanidinoproclavaminic acid 6062.129525 11792.5577 4.07813e-08 10583.96567 4.07813e-08 4244.142892 9648.872305 13639.46484 16397.57464 23288.95254 27439.74405 22106.27643 18173.6981 15077.20262 26080.47952 39387.27936 24016.86077 25157.37246 4.07813e-08 4.07813e-08 4838.288432 4.07813e-08 1646.803417 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18362.33283 25712.11856 19718.79673 30100.70897 22685.16902 19401.08915 37036.42545 23810.37924 28578.60844 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5101.681023 2433.217017 4.07813e-08 14578.19628 20363.84341 1244.92419 19440.86982 4.07813e-08 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 6386.134733 1416.385706 5020.692666 2391.211522 3229.755946 2990.390272 3971.277935 5803.979146 6868.800826 1094.742848 799.496094 235.1196067 1008.132636 1382.679803 4.07813e-08 464.0390195 4.07813e-08 1858.034928 7549.386167 5271.094415 10228.99896 7032.394069 8253.950609 9003.673497 7894.855657 7058.437533 6596.353291 905.0112649 1213.842862 1247.465177 283.1821218 1861.924537 1058.170944 803.0520318 4.07813e-08 219.0516177 5935.528137 4470.43816 5869.161863 7404.992073 8589.985858 5416.077331 8975.688491 5643.512278 7693.365129 6986.924451 7985.785817 7572.297304 6526.994099 4235.300561 1145.175001 6474.319217 1021.245717 5862.514691 2,5-Dimethyl-3-furanthiol acetate 2063.398707 2799.58781 824.111713 2122.441026 3747.083957 1239.658506 1918.292391 2151.681877 2254.303322 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3043.927066 2424.291002 3921.841984 2980.036161 5505.157312 2714.094814 2187.458649 6916.851488 8133.210307 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 244.4957249 4.07813e-08 296.1392222 240.5549753 767.4544515 2656.578369 3286.275592 3074.870971 4214.619074 1660.899866 3828.007625 8079.017908 5967.826627 2234.395147 1124.098573 1823.062804 2016.622994 2698.154685 4.07813e-08 2682.152587 4.07813e-08 3826.4636 Verbascose 23575.44496 48341.79279 13180.61995 24042.93216 27906.98086 24640.17329 50812.20277 26460.95954 15956.16208 184893.0118 235422.0368 116600.2937 151577.4696 169380.3056 115764.6751 112394.6097 32463.29624 22949.25532 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55755.19791 144071.3932 128343.4069 99241.9487 49309.54629 157494.8082 179202.9333 107543.4305 143885.7242 2933.221655 2966.934942 4.07813e-08 4.07813e-08 1324.722418 4.07813e-08 4.07813e-08 4.07813e-08 2175.390567 3059.189146 7406.480328 6513.500126 10063.6999 9292.278448 36728.79779 9193.87342 174215.9595 22979.96193 Hydroxyprolyl-Arginine 28120.02785 15741.14692 23882.23204 28087.47976 30856.06062 29088.29468 35543.6315 24414.00077 20763.38433 4050.546731 1358.748102 4009.294367 5144.570103 2430.220779 4790.373031 1499.453469 108.5871806 1088.067941 32906.35932 28730.27865 26854.83157 25279.34742 37140.65237 38312.32421 40501.27844 34048.92267 43950.71436 4255.206197 2967.989596 1500.642231 1477.291817 7826.069205 4678.644896 3809.255866 985.5832483 3122.443159 20786.36051 35234.60988 29274.70311 31237.14851 33277.85358 36874.7659 35050.88358 34907.60281 29099.29892 17568.82295 19978.4097 23221.86528 22048.06755 22569.84408 8217.577242 28935.12543 4.07813e-08 31215.62704 4a-Hydroxytetrahydrobiopterin 29542.3385 52926.35029 62742.21755 78759.07292 117423.8022 64278.68385 51117.50379 77802.03156 55668.39317 6964.610011 9816.308149 4938.780825 8011.479097 4537.009137 5858.412719 10187.30398 891.5701068 4643.400683 54090.14832 25303.2508 33384.96609 26358.33992 31828.94671 26567.58046 23262.11414 19688.46249 75911.79029 12037.7568 9479.080304 22532.33762 11115.00041 26245.09203 7638.663022 5421.540165 8844.472882 13433.42856 34964.27377 48175.57612 63366.44282 76697.32165 68161.1905 66660.07796 54289.2521 53474.81962 15611.57173 69179.92368 64740.80696 103290.1239 151221.0807 131473.0379 9382.094354 176189.7096 17132.99126 153681.4077 PC(2:0/1:0)[U] 1044.64926 5532.350412 4662.327548 3618.203005 3644.488768 3944.095743 4324.498259 2579.911552 2989.39839 56945.56787 41087.87929 29918.53291 54830.23003 30580.99796 38914.3653 22342.05403 38358.08259 30613.29565 2293.354058 2956.780679 6676.782165 4418.930432 5858.682774 1681.970143 3790.011153 6081.704395 985.3679408 33996.29183 36420.7744 43490.76566 36233.38715 53668.29155 35324.10466 43787.40743 24218.03602 27800.2937 6162.548351 360.3935263 4492.662016 947.7621506 1277.208882 4782.651907 1358.30041 3343.12314 7127.293209 3614.073248 2375.894826 5626.057628 9330.00328 15191.88018 55313.58567 6825.072737 43906.46338 5437.077864 Norfenfluramine 284.6741234 1490.745392 2644.237353 2025.607207 2853.468891 1400.540826 1173.455999 381.2393387 230.6472448 1161.217351 355.849054 4.07813e-08 1233.839231 212.9541471 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5847.380252 11483.93148 4461.935442 5205.666701 8757.498261 5181.616615 9158.833546 5887.957649 7589.164616 390.7936117 238.5767523 727.8150489 4.07813e-08 0.703365636 175.3294099 2996.604509 276.1514044 282.7849526 5927.660622 5408.95013 1814.075845 8436.040278 3986.634984 9243.637158 5430.365352 9074.667746 5213.730917 6551.390141 4988.659753 1303.60007 3016.213813 1963.24766 4.07813e-08 1851.264582 1532.92132 3298.525115 Melatonin glucuronide 4.07813e-08 418.4695616 19792.91108 16008.93085 387.4373006 18480.24756 7150.188007 1556.310923 1261.086168 35508.3631 43222.19529 66802.98159 43244.78519 56829.42934 15237.58913 37915.6137 18251.14409 66430.80839 14924.08781 4354.711909 5530.508041 5367.921338 8723.000835 24672.23906 15115.18576 470.1032693 4.07813e-08 67020.38233 71197.13774 76538.68147 34473.06274 98335.50079 51629.90066 7846.120778 32420.5208 24767.61727 1516.477695 20687.01844 9598.291525 74768.46905 1047.653188 1770.300799 8375.070355 4.07813e-08 4.07813e-08 3841.771933 2381.696987 8251.692967 2656.710822 10992.8549 108155.3059 15077.05871 18245.65704 2849.564043 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol 4037.62689 18762.18016 364.4736094 3388.753786 4.07813e-08 2646.8514 7100.725142 4524.020713 2260.690529 64269.24812 48000.19413 40576.22008 67989.493 36376.73482 42834.3859 20337.7313 21246.61 53289.10037 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16895.55471 582.2116571 48246.31276 49600.71626 48253.04787 30797.37726 68804.23605 49846.21269 66838.13646 18009.38849 32429.17467 387.6330986 4.07813e-08 4.07813e-08 1292.432266 4.07813e-08 4.07813e-08 4.07813e-08 16429.28704 1688.543537 4.07813e-08 4.07813e-08 509.9348277 2138.622248 13754.72544 67083.59321 2388.196157 48117.79715 1097.710614 1,8-Epoxy-p-menthan-4-ol glucoside 1050.244991 277.1581431 530.5673206 787.0756531 1308.883126 730.4810549 637.5635181 1744.84661 1052.64294 5491.046341 8506.073864 10084.90712 6937.776953 7522.382891 7128.206811 4476.62129 7598.146512 9566.413437 331.1061991 57.24162071 398.2008047 18.46149967 111.7636903 632.5200301 151.6622753 188.4667935 403.79683 4290.474762 8226.895176 5825.366878 4978.466907 11396.3898 3209.284614 3034.979373 4621.162245 8752.794642 75.38474574 278.6730877 603.7085686 518.0529008 328.7550755 488.0456227 555.0435275 309.2610992 207.2760476 194.5911345 192.7300497 451.2347854 204.5406824 419.1604867 5858.331849 320.210387 2189.891542 33.93566709 2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}acetic acid 403.9283874 398.3671385 179.1889379 264.3381608 770.4481035 4.07813e-08 554.5317807 354.3643 322.4576293 0.706334684 1.305523075 4.07813e-08 1.124381927 4.07813e-08 3.558438119 4.07813e-08 4.07813e-08 4.07813e-08 1679.123113 1451.486019 1831.722371 2581.114525 2549.202225 1429.572654 2332.81978 1226.249991 1698.604353 385.6339382 86.50776936 4.07813e-08 4.07813e-08 15.68379523 119.1436546 316.4700423 4.07813e-08 4.07813e-08 2675.598978 1523.550422 1566.145155 1978.65372 1474.121982 3285.535772 1791.158539 726.4292144 2291.558622 1129.809719 568.6371231 1392.229831 1103.018514 1537.436188 43.21557385 1667.798559 0.357384567 856.2453103 ETHYL SYRINGATE 221.2233732 267.5900317 1006.076821 1595.165044 1404.732029 1344.93608 615.2994718 316.3835348 446.9303265 1124.099622 632.6402226 2195.006687 1158.049302 1666.426347 1185.93991 1436.674431 247.2005009 1967.905923 921.7862914 594.0625413 923.2231291 914.1276053 1349.119912 969.6977547 1161.982475 808.1945985 943.4631497 1497.77342 1585.035837 2066.929468 1254.771532 1407.558476 2472.516195 1607.368256 1639.227811 2183.463085 448.6895591 283.0306252 334.5245108 914.0336174 1229.121237 1234.421122 487.992027 1130.178837 1478.460094 774.8669791 639.115282 741.9432098 538.3333601 561.7432898 1067.490273 619.4746218 1508.107493 1138.042076 PS-5 4.07813e-08 4.07813e-08 215.0364336 126.313101 687.8475953 446.938216 146.5616404 38.7832013 132.3793585 3572.00125 3314.452846 3143.034834 3542.407738 1493.303223 8981.962597 6555.186579 7413.311095 2319.239927 446.2080164 369.4912415 222.0599104 383.9509212 1010.88679 1127.749649 366.4379623 336.1598496 315.4115523 13781.70379 5542.908956 3555.160929 8716.725702 4125.536255 4049.761382 7904.832875 18654.6677 7216.229921 582.1148207 833.6518811 29.40911852 383.287777 636.1207122 646.3798274 495.1629178 169.2024725 372.2318828 560.2856729 170.501688 200.1079154 91.71174103 220.7878319 4795.360131 84.04761652 4135.3702 542.7790138 D-Arginine 2976.505332 2053.111892 2976.481378 2953.902711 3382.289666 3254.917796 3367.253966 3669.86213 3597.298126 249.9033677 722.8416356 421.2410867 498.3250703 291.8628611 4.07813e-08 4.07813e-08 279.3682467 315.2544199 5166.544106 5842.864549 4312.138655 4042.36692 5513.701932 7346.99513 5880.965756 5719.091001 5363.388413 151.7392753 701.9532154 106.4413442 513.220111 1177.203741 330.159907 848.0672716 165.5329037 143.0762533 3604.946236 4491.733517 3058.531593 4446.187517 3937.096509 4744.101876 5965.68914 5633.539615 5461.831054 5161.08314 4116.543102 3167.409852 2605.476513 1811.137078 763.4562737 2785.977822 349.2212743 3153.596047 2-Phenylethyl pentanoate 3444.559962 3708.889118 6666.432769 4821.613783 6347.519852 11562.73667 8025.971181 6827.043735 6680.590103 848.2626647 764.445467 838.457454 844.0380685 888.4004729 708.2510983 1219.753589 1087.71949 1254.696358 6183.068378 10827.94017 9000.254249 9632.134339 7957.113107 12173.75101 8468.542065 3659.114535 1746.749166 922.1743149 846.1398427 958.9062876 931.6355416 783.7071618 1059.142989 1029.362277 940.622133 1063.925006 5226.345468 5623.65949 5552.199417 7250.725963 10723.18136 4642.97793 11034.07675 3668.431267 1375.486984 18558.15193 10067.36752 13656.60121 5813.033394 6836.524411 4004.556977 8781.344175 1487.315796 6481.066535 Corchorifatty acid F 39028.14387 38576.98945 39642.92445 34439.5224 51536.9015 49273.68865 47974.79013 30404.59836 39734.61079 18566.00402 13732.78108 14416.62258 15158.85071 16474.7855 20638.31697 14840.57124 13681.85081 21152.34976 53893.2256 72300.83822 41088.66805 42339.47844 81174.39375 110904.8059 40323.27095 80743.03338 52819.92994 11021.2172 13700.54699 18095.89269 15362.77756 18053.43084 46248.56967 14656.97199 14285.34236 15648.31689 26512.35565 44643.87521 32061.75089 46552.36118 49521.65641 64022.4232 126861.2267 60752.67403 64984.04345 116946.4413 42448.73295 33820.93257 28850.83466 24397.43606 24487.1781 37260.82754 23569.91497 37946.93051 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate 2593.85241 1537.859495 3002.966193 1190.729066 3418.597794 5674.437079 1992.06748 4228.24817 5687.662746 468.4989221 18.80190864 1305.393711 361.5261305 2493.483447 1633.286248 4.07813e-08 4.07813e-08 4327.330109 5516.036222 3773.812438 3097.170895 3087.616886 3404.180891 3797.481363 2503.748727 1109.22714 389.4907064 101.9177555 1210.489289 10.59276764 1333.81868 14.43577052 4.07813e-08 413.2765938 6.826506026 132.3370958 3848.515264 1779.764314 2171.919272 2927.244264 3151.324094 2177.867917 2185.110399 582.3784605 3.76952949 6034.914335 9940.53086 5273.678123 3599.931709 2182.398977 1962.812809 4819.805815 37.69211802 4142.024916 Momordicinin 4.07813e-08 4.07813e-08 4.07813e-08 193.3759405 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6430.69483 5514.386301 2849.10504 5802.064259 3401.691045 3681.036573 879.8593697 5607.451815 5277.443965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2160.791635 2547.796456 3180.667423 2751.367715 4601.443879 2232.59388 1521.557145 2384.868036 1734.376094 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 170.063384 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2400.534883 4.07813e-08 6655.761665 4.07813e-08 Propoxyphene carbinol 6294.418919 9512.257655 15065.96372 11327.44014 10134.90597 23893.38162 13902.03796 13712.55009 25043.49016 372.8813272 342.4312039 207.3495999 395.1229435 798.7824376 3272.035928 387.0674439 4.07813e-08 374.8627076 5954.746542 8308.185812 14815.76723 15274.18298 12488.22321 5362.346096 10499.94523 9747.680301 7245.453676 235.8671405 388.3562699 407.2984046 799.5733189 67.19718606 504.086316 182.4813134 258.4062314 7209.181651 10584.89184 16942.91252 14494.35864 9286.559768 24667.42449 15260.43852 9990.910878 5428.595639 4332.454645 7714.646397 11043.91986 21541.70643 13029.08307 7994.972733 182.0197073 22022.61817 387.7557827 25693.58171 19-Hydroxytestosterone 2576.462591 3381.122771 2042.634331 1668.755678 2762.799865 2189.494147 3661.267212 848.0866528 1029.249362 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1911.744917 987.9317807 1128.980337 1926.148774 1317.996583 912.5439463 528.6103675 4.07813e-08 105.7149145 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66.32809153 4.07813e-08 4.07813e-08 2040.250798 1288.498612 838.5879101 443.7823051 2274.113635 1492.990631 1165.281463 4.07813e-08 456.2172862 316.4466737 991.207745 1247.099868 479.2709801 819.1485311 453.1504535 986.6598945 79.83283802 220.6377128 (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one 238.5457404 833.2593987 1755.819544 546.1144488 1791.479278 894.6399279 468.1110764 769.4302926 844.0251765 519.6777362 942.6205902 1683.602408 435.9916306 4413.220593 890.1955357 4.07813e-08 3657.405851 945.7476467 1154.814137 1333.252175 1252.427052 1122.288506 313.104042 438.4805953 353.5067931 2154.730211 138.7784048 109.1481472 4.07813e-08 4.07813e-08 4.07813e-08 782.049786 210.6449919 160.8660874 222.1894679 4.07813e-08 620.9038972 299.5422441 805.4918524 656.7445448 736.8958468 4.07813e-08 400.0482089 2019.035673 148.6260664 634.7361723 8279.746005 314.8488304 692.0152959 4.07813e-08 290.3201668 897.9013566 322.9512347 4.07813e-08 Dihydroceramide 3412.025862 2320.888974 2896.979218 3257.22924 3237.989256 2481.765662 3104.31955 2314.775227 2842.264122 1829.93658 1621.587463 1690.690184 1804.587399 2192.321398 1977.612097 2113.8028 1592.879016 1995.671752 2877.794484 2561.331806 2339.484452 2592.244064 2217.507195 2404.936022 2978.215009 2543.02329 3240.511139 1565.407524 2138.139642 2198.580973 2480.372976 1942.932586 1812.489415 1601.632872 1993.178706 2154.612694 2718.356048 2124.501414 2077.41294 1872.013268 2233.786221 1831.149543 2917.077808 2878.641978 2769.431369 2169.550475 2336.005443 2510.993263 2552.819336 2086.904992 1391.237067 2902.740252 1991.757616 3524.389315 Diisononyl phthalate 4.07813e-08 4.07813e-08 4.07813e-08 417.8669337 4.07813e-08 444.5118454 186.6675022 4.07813e-08 4.07813e-08 1829.794052 2733.52519 1832.730026 1456.56631 8072.1881 2151.111152 1196.410244 15115.8223 8782.875815 170.5283612 674.1120809 173.0235853 276.9559759 138.4462308 1039.867836 4.07813e-08 4.07813e-08 4.07813e-08 4584.951575 11039.6338 5299.024235 9566.726436 9594.795466 2621.179895 4418.053888 14797.52043 14625.29686 4.07813e-08 6.490298907 6.677674465 505.0350142 939.8277176 4.07813e-08 378.6771837 4.07813e-08 4.07813e-08 713.4750248 6.910289246 4.07813e-08 217.8658223 4.07813e-08 6293.614021 4.07813e-08 8753.34764 4.07813e-08 8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane 26084.24121 23512.09217 25556.08462 23917.03811 25201.31029 19727.01351 21506.46096 24192.21818 24697.18771 15905.86584 14722.29617 14041.62141 15065.60164 15502.70277 12123.97908 20725.40247 13971.81736 16819.21249 16592.47059 18342.08112 16633.07853 16582.12238 14650.73423 15391.83476 19631.94378 21740.74587 20724.85178 14349.67541 16714.38744 17256.5426 17232.849 14258.4944 16734.70199 14128.35358 18263.94091 18393.50408 20041.90967 17066.64113 18202.21833 15805.17724 17243.1942 19003.46784 19530.68036 22240.49136 18183.94867 18451.78508 18551.87877 16945.54616 20551.02792 20724.14804 14002.27147 19259.33157 18430.33239 24855.07708 (25R)-12alpha-hydroxy-24R,26R-dimethyl-26,27-cyclo-cholest-4-en-3,6-dione 949.9577242 1992.251504 3206.516891 2239.343941 1469.883082 3947.478684 2393.423613 995.7152759 6161.321796 747.3160844 2929.088914 1768.968574 1435.985344 8221.116791 5498.40193 515.3125476 20989.02953 5297.902673 28807.48609 29991.92836 3133.185439 9319.712025 2358.01491 9154.242766 8831.672588 34528.16334 4446.927816 1313.141042 330.0429044 137.4577552 136.4244696 347.917666 4.07813e-08 4.07813e-08 1466.96065 315.8529404 2017.78166 20155.89067 2403.876019 1488.269612 7464.442496 899.1067047 3958.898189 29353.1111 5729.538456 4987.024549 31015.21932 15884.66622 409.9684674 65.29974497 834.0096752 6180.425057 883.8508 1464.129544 MG(0:0/14:1(9Z)/0:0) 2442.322987 2262.143337 2075.80343 1890.135879 1417.955084 2437.700387 1737.836144 2934.298275 1493.864294 1037.053837 1195.309641 621.2236054 713.1206954 1208.443269 994.4761658 557.6947595 1264.620231 1399.172209 1913.753569 2208.677284 1572.08082 1023.89309 2112.293753 2685.655541 2433.172488 1803.906576 3729.097991 985.2255267 1275.887706 1494.396367 1303.205289 985.4008016 831.5175585 998.6452313 1047.330987 1044.767135 1813.17287 2286.37234 1287.122022 1928.594036 2240.246335 1409.696175 3242.681516 1880.750486 1486.119174 2037.84948 1698.133466 2075.514769 2114.457956 1023.964203 1117.569034 1638.128387 1051.412115 2794.321445 Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl 3840.55264 3513.709747 4432.020631 3274.165883 3416.12399 2448.251317 2661.629903 3357.34526 3144.851613 2810.878856 3681.552273 2819.943785 2517.97278 4819.80768 2608.981426 4133.924041 4754.20513 3787.801839 2652.636847 2403.203845 2767.335697 2219.473566 2113.90005 2158.816736 3415.154498 3647.89982 4258.522419 3918.144975 2929.302622 6615.413593 6170.318175 4620.774625 4168.726303 6545.469364 14384.17033 4366.722714 2945.998308 1621.625358 3509.02859 2668.161308 2886.526194 2661.536868 2503.60015 2402.677675 2846.348438 3430.752219 5272.407957 3024.409719 4208.572887 3654.241261 5563.712175 5140.305986 3160.153226 3560.426187 4-(tert-butyl)phenyl benzoate 1753.28683 1354.171495 6856.385298 1353.507499 2278.90756 7392.811738 1656.896509 2204.510979 3240.07719 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.53129482 4.07813e-08 4.07813e-08 4.07813e-08 15294.38014 8464.238299 19511.55136 15085.22718 19989.99103 30655.36454 15147.00714 5274.923123 14534.7979 4.07813e-08 4.07813e-08 4.07813e-08 286.4789992 4.07813e-08 4.07813e-08 5469.914378 4.07813e-08 4.07813e-08 3389.133379 6646.922958 10607.56531 16879.69856 7539.082247 25516.44326 23660.13837 5243.589853 43056.44209 33661.5993 11167.59526 5989.756363 2468.662211 2499.51994 4.07813e-08 6957.986312 4.07813e-08 4146.397316 Australigenin 5455.252415 10185.20681 23383.49591 22814.72158 8201.624196 23660.80257 25931.80239 5506.815508 7030.135445 257.8778853 94.29563259 1016.778759 842.9184063 530.5682448 2559.335155 4.07813e-08 2092.678067 3845.094487 22488.89899 16284.58751 26622.44108 39956.97911 38740.07527 34387.84289 23441.11363 6603.714473 14414.33295 407.0407842 622.7766177 13.17275027 2706.249633 4.07813e-08 4.07813e-08 345.6400353 7.575039398 286.0642187 31056.41639 23440.32856 52278.26216 31992.29729 40296.6465 44401.69874 30308.23059 5929.250097 15161.83528 33489.34219 19974.98507 36792.37676 18393.40767 6862.604259 1048.576418 37520.01297 4.07813e-08 8098.335955 Palmitoyl glucuronide 1296.519768 10329.94734 2648.202345 5135.258238 1315.037217 1357.139387 1836.243159 6803.363999 5458.430839 276.7001678 126.7345339 13.56746653 70.86310058 78.37944058 3.897822719 0.076895308 1.357148604 208.288671 0.507818986 211.6326841 1405.400605 287.8173523 607.4687726 137.6952771 1268.615439 113.3926891 213.29063 4.07813e-08 3.040950593 4.07813e-08 8.190394122 4.07813e-08 4.07813e-08 95.28886772 4.07813e-08 4.07813e-08 1140.961291 3397.968046 4619.200795 600.0529446 195.9553169 377.4666581 4.07813e-08 110.5543634 171.7515412 97.82675571 5.216682318 3377.310029 7632.267117 8463.654871 148.0596064 3520.619186 258.1315095 4.07813e-08 D-Glucosyldihydrosphingosine 7375.585908 18024.69906 7601.259902 12270.52921 6506.645684 7023.102923 6875.79845 11409.07799 10194.03427 1778.831314 2242.1912 2288.33533 1483.034057 2105.864288 1668.697219 1795.546665 2153.918507 2014.427492 3330.095415 2841.566852 4364.335994 3358.545207 3574.872894 1985.775801 4446.733405 2462.534995 2875.150682 1795.842406 1611.002868 1831.30219 2505.678344 1853.307051 2482.299131 1598.457434 2198.638251 1740.828425 4343.202636 8605.913166 8970.119784 4429.349765 2265.772022 3640.543439 2431.155168 2748.284803 2507.795931 2355.788144 2856.17 10509.15528 12246.55834 11070.13414 1404.38567 9616.540324 2288.207286 3944.054388 7alpha-hydroxyandrost-4-ene-3,17-dione 688.4615248 1329.138219 2689.507797 1971.491759 2336.844111 2593.072424 5353.922266 148.596406 1216.578292 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1888.136937 3027.498501 3041.206879 3383.249725 3118.789762 2533.847244 3818.320529 98.12419159 534.8187319 65.22777655 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1804.2902 2579.869519 2373.689338 2012.561248 3209.685149 2560.083715 2039.613025 4.07813e-08 1137.194352 2448.618757 1150.441195 2691.295797 908.7550228 492.7442153 65.0232726 2138.987347 4.07813e-08 462.4063937 9Z,12Z-hexadecadienoic acid 17088.99017 23068.21053 21235.89051 18837.44707 15454.09539 15285.83859 13532.50362 17930.81863 25369.17524 11210.52418 9986.459219 8617.90422 10784.94484 9717.025505 10799.38498 17224.96893 11220.97134 11620.75368 12460.16469 15898.36391 14474.10564 14078.08786 21033.24498 12774.16012 15247.62646 20638.38547 14205.99002 9481.998808 21818.69353 12583.28017 11870.01256 11193.36751 18171.61521 10595.80215 16748.88926 15808.46728 16482.1662 15124.80397 17654.28197 12240.21807 12802.27939 13246.88788 23470.99704 19068.08885 14650.46651 24768.17452 14533.39751 15194.53945 21854.28089 15481.64634 18224.97946 15331.54142 16693.71463 16050.16918 2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid 12213.05445 13568.63109 20835.79196 17498.59657 13701.50509 18476.8788 11592.29603 12132.79956 18179.6956 11315.42723 9223.949194 5179.571318 13595.71731 2914.273124 4718.01923 6691.862653 2364.705467 4438.318369 29116.84177 34542.74117 15070.58301 14950.89109 15751.36853 36948.37497 19676.64121 25371.87035 14752.83197 2196.323795 3191.42484 5978.630471 2484.870642 5120.383486 7231.270946 4221.779004 3072.629804 3895.8532 10298.44097 15993.00576 11005.51425 13974.52485 13907.84904 11924.71124 28412.67257 12595.18556 25733.36033 23881.3082 13816.77799 16053.50123 7836.355768 6413.699742 3716.331878 18019.43001 6349.005127 9502.602876 trans-brassidic acid 7233.180384 7908.801678 7757.841725 8405.553881 7587.249019 6421.17653 6348.560081 7737.768879 7566.330644 8157.594248 10767.70039 3429.071211 5567.939045 9036.8611 3490.347433 9283.230055 5212.334912 7461.947622 4913.728018 4772.725227 4863.784062 5397.522556 4595.438853 4648.142825 5308.530127 6404.371762 5060.410296 4591.951885 4581.709562 4758.651854 5935.272024 4090.96983 3692.732363 3455.420854 4706.519525 9743.349583 4856.408398 5760.070828 5708.418586 4726.889055 4170.568637 5284.746015 4511.902353 6849.251071 5313.84886 6080.167514 5111.859087 5208.147937 5298.942131 4835.773692 3877.934823 5248.687828 7881.922937 5768.514774 Hexylbenzene 2393.391252 2972.541827 3176.444478 3656.632081 3488.188856 4339.151001 3868.722664 3652.858921 4863.937729 1706.511564 997.7419315 2542.967333 1688.554077 2029.622316 2111.141287 1988.043194 2734.963457 2145.769727 3904.424022 3461.827935 3106.886826 3230.434531 3023.158087 2911.774836 2271.72645 2620.217757 1634.164614 1449.204429 2114.138225 1884.659254 2270.774108 1519.759289 1409.675572 1898.568916 2858.391754 2548.512766 2953.811528 2123.321395 2613.554284 2201.656519 2802.788574 2612.387916 2598.860139 2977.0158 2209.005254 6619.884683 4998.564719 4054.947056 3135.63711 1995.580853 1265.413524 3578.174472 1665.562 3576.511275 (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one 4.07813e-08 4.07813e-08 4.07813e-08 6349.324744 4.07813e-08 4061.014822 4061.837228 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 173.7335724 4.07813e-08 131.5620284 5627.509105 4.07813e-08 169.5254946 4.07813e-08 1607.730489 856.7366221 314.8131727 8200.057942 2595.247044 9649.295413 2325.496183 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 596.737125 4.07813e-08 4.07813e-08 1553.722612 4.07813e-08 4.07813e-08 4.07813e-08 610.0477595 510.8631697 2398.53149 5621.975906 4.07813e-08 3603.142336 4.07813e-08 4.07813e-08 1208.045034 1380.829866 2409.833535 4.07813e-08 4.07813e-08 4.07813e-08 383.7373246 4.07813e-08 4.07813e-08 11-Methyl-7-oxatetracyclo[6.3.1.01,6.04,11]dodecane 1023.937385 836.3562704 823.1987628 627.2543749 717.9753379 1048.817504 1200.372636 587.1167304 445.1998252 495.1072208 412.4383468 613.4927076 555.0306154 925.9777305 748.5259232 531.5600914 192.7603547 471.039624 449.8646306 556.9193864 758.0274717 604.9337099 602.650557 523.5305899 401.994892 306.0649016 739.6752322 428.2726301 777.7673605 749.5224768 922.194284 996.740072 369.7158169 388.4039405 809.0318308 221.2880966 1045.524124 837.6518758 1048.162678 756.5696607 398.8377393 530.1031107 506.6014488 562.9807938 752.6413295 825.3533123 945.2265734 939.842488 442.1805997 424.2122284 680.9244079 965.8924526 695.9389424 884.7959527 5-Androstenetriol 23238.65355 22371.23323 24003.78552 23334.27427 26134.14209 21499.20249 19325.25643 19227.91194 22265.65636 18418.26537 12283.90606 13455.7528 16325.14356 13070.27827 11648.49963 16737.51208 12394.72562 14670.56588 27860.38841 25587.72817 21337.87197 22878.94251 19256.43511 24585.90038 19071.80441 28686.71216 23156.84506 12698.05476 14341.46489 16166.8576 16255.51449 14116.54376 15552.62481 11756.90966 16735.06909 15691.17607 21768.85178 19524.84954 18498.57791 18726.70925 20575.1739 16970.38727 22779.94747 29493.59256 28976.48987 23675.82823 22949.60723 19173.39835 17292.99938 15444.7669 11030.28211 21393.68513 16654.69669 22440.37712 (3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol 10350.77362 10978.82112 12825.29614 11398.59269 12633.82777 14543.82958 9621.218448 8496.938183 13596.70291 7381.110957 5621.251355 5551.277016 7396.90968 5733.055507 5358.44861 7716.878082 5641.657235 5548.059216 14923.89111 18444.58218 10855.27044 11597.83543 10891.57782 17677.58519 10528.97046 13257.74248 11349.11433 4113.671806 5050.093517 6905.377602 5411.29985 4975.656945 6507.951311 4550.860994 8570.395366 5273.990865 7441.908385 10360.3026 7850.368144 8277.613295 12528.13682 9900.881324 16505.95685 11315.42276 13009.43284 13226.76346 13128.3908 10572.47469 7097.290374 5920.253041 4346.430396 11664.036 7881.27244 12458.68416 9-OxoODE 1912.661193 1871.750772 3207.542205 2537.194592 2375.15842 2818.561114 1802.743396 3091.297802 2633.535234 8699.802684 6704.658329 2931.622236 7603.796712 3176.009203 5612.701585 6631.698559 2999.45005 3241.827774 6309.877904 5401.525438 3991.734184 3875.709287 3115.008077 5194.018043 3801.906335 5304.122363 3169.701561 2481.527896 4954.073716 3050.974245 6436.669817 4221.760928 4170.901071 4732.10918 5769.074724 2908.784662 3261.591378 4121.048442 4294.477372 2747.453692 4328.120688 2657.077134 5258.178909 4002.553622 6392.803315 4107.413723 5395.33316 3201.91589 1753.289706 2826.931735 3659.764336 4017.308171 9382.194882 2840.924672 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde 178.7395365 409.66099 1321.915226 792.7150905 363.005622 504.6753556 221.1329173 325.2304165 164.778812 2410.37106 2861.839694 797.3797859 2943.169168 1281.327776 534.9981019 1807.643464 1450.542609 351.0718115 607.1503158 527.3396636 305.9384885 540.9131 35.72746878 534.830713 55.39666057 2746.043363 110.3332217 218.4992584 1035.5218 3211.828952 319.2065632 1356.532837 2189.393245 284.0356772 2764.903829 288.2504537 170.621931 289.7857947 539.3806519 187.4854579 143.8641005 46.01353547 176.7854872 2279.909026 654.1315323 475.954996 1063.130084 1142.204279 404.1386466 220.7222676 373.2920044 907.2078749 1608.153614 478.769201 N-Cyclopropyl-trans-2-cis-6-nonadienamide 2795.064805 3118.306932 2263.033569 2705.237386 2932.955614 2101.767625 2666.101489 2289.574218 2436.099147 1708.174089 1787.382172 1659.76776 2082.887511 1861.626133 1384.039951 2374.903888 1518.66734 1666.006435 1919.190739 2061.554173 1928.032621 2141.627176 1876.677393 1904.542846 1624.083393 2172.447176 1927.152039 1771.221244 2191.981553 2088.035905 1972.580618 1636.053575 1639.11889 1593.453382 1848.160354 1836.19211 2046.407568 1836.328801 1525.888557 1853.12547 1983.293667 1586.068754 1829.362702 1965.062913 1820.535632 2174.559091 2249.974029 1743.664934 2352.230769 1567.715463 1448.65007 2183.295579 1955.853743 2590.655554 (ent-16alpha)-16-Kauranol 11038.47815 13121.57387 13913.1782 11679.92566 11839.95105 9871.257773 9776.272588 13527.00846 11106.84017 9266.15598 7870.673049 8785.049402 7976.862008 9000.198457 6786.317088 12064.73232 7568.660747 8901.029933 8424.756134 8811.085633 7431.226988 7256.858285 6524.393368 7157.865809 7579.907543 10375.47668 9990.13589 7491.382022 7575.119057 9810.125044 8484.524385 7231.101644 8179.451091 8153.692904 14073.78533 10415.87743 9695.297975 7408.327268 8018.859987 7590.832911 7607.769098 9146.634074 8926.00877 9774.977501 8611.431157 9400.197713 7961.939661 8857.251686 10217.05859 8792.258037 7501.062391 9124.962979 9613.610766 11616.30781 17-Propyl-5alpha-androst-2-en-17beta-ol 4511.518232 8390.173841 5876.931737 3673.85209 6755.710258 4611.23399 5572.706717 4916.859685 5185.572641 6667.269086 3875.565743 2646.988909 3627.291174 4771.834122 4532.338204 5540.844416 3482.11128 3620.75969 4246.145495 3687.378498 3445.792434 4504.198021 3551.731553 3007.36531 5080.52416 5250.676737 3829.983313 3848.501791 3756.25627 5408.78565 6614.278039 3451.204342 3546.887044 3898.864184 7660.194015 4761.740422 4267.641477 3958.913032 4181.511947 3185.218538 4047.787041 4832.524889 3427.225708 4444.321963 3803.841482 4889.295384 4699.686038 5721.865132 4957.388458 3794.061245 2812.022307 5172.856351 3897.450871 5899.735528 Polidocanol 70939.21716 67302.30672 72719.62253 66051.46213 69958.57859 57782.78623 62462.40743 56016.94422 64462.32208 42477.32148 43699.46085 39973.98486 45204.04968 48623.98697 36232.72914 49467.97198 38526.58115 44750.13118 63216.00741 48711.62823 47101.42153 48209.06553 45262.64414 45583.62957 45592.64293 59396.87147 50264.85677 37192.51186 43706.15972 47888.34786 51747.55822 51225.60268 45970.75417 42222.11664 55219.63873 56389.10743 53605.53002 47872.527 51743.93408 52334.91128 47803.88817 52346.67208 46560.71422 55336.95934 50028.83176 53252.15357 49489.28638 51611.41747 49397.6574 49774.8799 39827.23793 52147.04075 53375.699 63242.40848 Abietinol 6028.722563 5927.79791 5478.089538 5329.309671 6397.324448 5877.980043 4658.75314 4409.625364 4873.565049 3413.608064 3825.708619 3317.327266 3132.779153 4497.212859 3099.61748 3187.030861 3486.144232 2811.852621 3767.840801 3806.196772 3683.251902 3652.820245 2846.896155 4076.956656 2744.303248 4701.37134 4453.37016 3406.355817 3742.489303 4547.749238 4562.464716 4181.800906 2955.97718 3007.38697 4391.634519 4730.866364 4192.059113 3634.71432 4680.858057 3752.564988 3260.74581 3070.298007 3453.289388 4562.212083 4031.697097 4883.116951 3885.26745 4498.476023 3922.217521 3677.009574 2994.581271 4073.712761 4455.719696 4013.559777 cis-1,2-Diphenylcyclobutane 127525.799 127370.2553 123807.1292 123820.9455 124297.117 112777.1722 117396.9153 110053.8057 111025.9812 81589.03845 79903.54775 77896.57542 80508.90855 86100.15506 73732.1217 94391.82624 73910.21567 84347.84862 84179.79456 86472.33392 83516.21247 89822.86855 84017.18241 87023.65082 94187.73264 104145.541 97790.74962 74269.17804 87451.75772 97529.42771 98227.13359 87183.87247 83841.92636 73807.01264 89617.3669 94795.86222 98477.11192 91379.99411 91437.71174 86166.47031 77395.50049 82718.20035 83565.94263 105974.8391 93944.58459 105827.038 97208.64912 91761.93522 94804.80379 94028.60299 75730.07708 96233.3042 95938.4094 110264.5114 PC(18:1(9Z)/0:0) 50713.53507 59109.38199 62832.95949 57833.22715 57351.52421 48655.1437 57281.53604 39150.85088 49535.07517 36860.71397 34139.74321 38650.98926 36928.64687 42373.59074 35170.58843 36509.42341 28207.92962 36484.99969 39068.10739 45698.92912 34825.69738 34721.26252 40103.66127 37819.91437 33771.14351 43852.23573 42765.90933 37971.76009 41639.80835 44195.17315 46572.56059 39739.53579 36416.25543 27703.92679 39717.74827 45474.35084 50085.21968 39542.03064 40634.0757 37692.91952 27849.64837 32016.0842 30265.95703 42038.06471 41082.52848 53345.63788 42362.03228 45034.68041 38033.98905 39218.88523 28213.78045 41928.91893 46817.3034 50177.15127 Methionyl-Glycine 11487.48092 9243.130071 6562.908901 3309.681707 3378.336444 6506.371195 5136.577842 12926.50112 11713.88585 5046.694933 4366.468259 1484.701931 6268.486077 1173.170303 1812.973191 104.9890386 1877.560045 4899.061692 5099.844161 4813.41907 4183.89335 3428.015661 5278.150054 5015.76621 3808.017332 4674.671499 4609.678629 1049.041634 626.449799 935.2930308 805.7596339 837.334534 1082.174178 1312.636148 130.2693293 827.6667152 3527.372887 4595.09888 4202.517376 4362.51019 4091.548282 4444.469395 3842.775286 4557.108767 7159.585162 3109.561775 3227.592223 3525.193398 2772.050266 2612.776353 1330.351225 3411.643834 1019.481096 2260.757849 alpha-L-Rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->3)-L-fucose 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 195.8346691 542.3722977 25800.92168 20386.22497 14479.57069 27554.56235 6869.509828 27574.3056 16186.87943 13861.59741 13153.67774 4.07813e-08 4.07813e-08 197.9077401 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 228.0864704 4.07813e-08 15025.03575 20874.18115 7908.270891 12277.51208 8532.466406 11044.9582 16395.36543 14554.38682 9148.691426 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 89.12934339 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11810.99065 4.07813e-08 12117.68704 4.07813e-08 3,4,5-trihydroxy-6-[(3-methylbutanoyl)oxy]oxane-2-carboxylic acid 7765.337909 11672.05817 4455.759645 10813.99166 2787.037284 9713.753618 12222.87341 12746.4941 14708.86303 2192.509558 1556.271946 5495.263972 3262.270499 638.489291 2663.417455 1888.934805 614.4955063 2142.0039 10302.32608 14431.08022 16304.50949 4398.014856 15074.43212 15949.60857 8768.187586 907.826739 1169.436156 1840.095566 1017.22498 486.2050659 1972.101291 866.6336156 1623.745263 2293.673005 3607.754658 1384.6925 4487.13111 20627.06155 14675.67649 31796.48727 5223.107056 9221.156553 14278.3097 346.2756694 1556.033223 16371.06108 10578.67091 25640.61876 11310.85012 16621.91609 976.592785 15430.1924 846.4653766 3029.266686 5,4'-DIMETHOXY-7-HYDROXYFLAVONE 15933.19462 10263.19055 13495.42951 17505.79916 11785.25664 8460.07562 11497.69268 28953.19512 22522.70655 4.07813e-08 4.07813e-08 408.7179183 130.4444995 166.1691871 90.63175813 241.572152 196.9685601 1485.412141 9391.757392 10379.83671 10956.082 4006.502919 10282.53718 6447.594963 6361.817574 2881.83877 7791.211198 382.2731478 310.4224713 505.6603508 946.2356322 338.1779339 119.5172692 241.784935 292.1774249 942.81789 8815.947178 9434.559992 14881.51052 11483.16611 10035.59557 6912.670206 11389.74669 6614.378601 872.2763804 15088.18309 6113.840323 18993.23838 16352.03186 11701.58301 317.8843773 18178.64266 4.07813e-08 19109.97812 Fenfuram 1061.464451 368.763549 1042.995802 293.091798 1056.396018 345.765282 696.9874976 1376.90097 440.1958314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.44030734 4.07813e-08 4.07813e-08 4.07813e-08 3589.344979 1711.841385 2118.913402 2628.150125 2672.296758 2611.189158 2334.772139 3877.225463 4258.608889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33.23356821 4.07813e-08 4.07813e-08 2149.000421 1685.976888 1975.124368 2007.55669 2349.855461 2455.602063 2276.585203 4284.484538 2789.366941 901.8934411 1269.373905 1456.762531 1637.764449 1714.72718 4.07813e-08 1556.711633 4.07813e-08 1600.498651 3-(3-Methylbutylidene)-1(3H)-isobenzofuranone 1210.423344 496.4264154 414.6237467 740.8123771 975.3663846 544.7562724 760.7290118 275.4888018 378.3468192 4.07813e-08 4.07813e-08 4.07813e-08 9.802591771 4.07813e-08 4.07813e-08 4.07813e-08 14.07171722 4.07813e-08 2279.769176 1861.967199 1759.137974 1995.956771 2470.510188 2023.363735 1989.600962 2660.179917 2971.522228 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.35997644 4.07813e-08 4.07813e-08 22.7181898 2821.443043 1815.991773 1003.771172 1755.148514 2341.040638 2428.283142 1914.497678 2500.600596 3742.923376 925.4761878 818.4030633 1237.06686 949.4277612 816.6251387 4.07813e-08 964.9626707 4.07813e-08 1168.889183 5-Nitroacenaphthene 623.7146984 730.1443719 1556.578227 856.365541 1913.595087 1442.952774 1293.903675 1347.420716 1044.924643 42.26067243 4.07813e-08 178.5983278 47.57744287 45.89080398 4.07813e-08 4.07813e-08 4.07813e-08 128.9127025 2807.705931 2700.418036 2448.416072 2199.47067 2594.365314 2453.511356 2256.188536 2862.335651 2453.815419 322.172566 39.80169242 124.7245382 4.07813e-08 75.8561301 154.2230577 346.4033832 44.55328838 81.43788237 1593.08202 2033.847265 1973.663427 2206.762885 2292.674678 2342.784942 2417.979945 2858.265986 3596.711071 2560.387608 1796.900848 1816.506869 1104.492225 1424.534228 562.4606654 1720.151291 157.8664672 1686.021194 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 4.07813e-08 174.0074881 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6253.301895 6480.452995 5022.944708 5792.847299 4438.276254 5389.705464 4910.515057 7673.74657 7885.091078 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6123.417739 7249.177665 7806.986023 7218.956509 11190.31294 8418.171079 9449.895577 2934.639356 7708.533066 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.207812862 7692.435684 4.07813e-08 6197.460439 4.07813e-08 10-Hydroxy-8-nor-2-fenchanone glucoside 466.7190797 429.6350454 521.5730799 4.07813e-08 91.08434127 220.2121247 473.0790973 219.5588249 364.4448222 72.38049921 64.74874567 76.73990605 4.07813e-08 4.07813e-08 109.3313386 4.07813e-08 4.07813e-08 4.07813e-08 7267.521447 6694.658773 5097.773282 4834.844463 5412.687348 5413.464374 6450.132328 5903.25243 2087.773499 839.4008964 661.011636 4.07813e-08 462.1699804 1832.403277 377.2419605 1289.863054 4.07813e-08 4.07813e-08 3287.378792 4918.436825 4880.509934 4267.232587 5854.273806 6538.2935 4468.318283 5073.216642 5172.931226 1955.388253 3512.539231 3242.639091 4152.727044 2743.037518 1828.433056 3914.229573 854.4068222 4085.883044 Pseudobaptigenin 6076.958168 4479.722625 5217.926742 5192.212939 6410.231546 5800.549851 5768.809881 5025.255236 4036.527848 249.8726451 410.0059999 213.5436008 611.270607 187.3413652 450.2473091 4.07813e-08 4.07813e-08 251.9643127 8924.244139 8267.74683 7771.625314 7611.666344 8863.062523 8420.690672 7352.924923 11908.99115 10474.69539 570.0590148 493.0669738 306.619517 164.6007175 511.5089253 482.5965839 874.9998452 239.2619359 149.641592 5741.82284 7506.975345 7005.472305 7417.810361 7569.83153 8933.075262 8093.848935 10496.72471 11326.18098 6780.93008 5184.620249 6561.331179 6109.030621 5568.872969 990.9143763 6314.340488 564.2007533 6073.43186 cis-Sinapic acid 4.07813e-08 4.07813e-08 53.27330248 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 477.4657453 435.8025717 758.2715278 322.4391015 553.0328115 640.5820658 523.3604407 667.9688486 317.9845717 4.07813e-08 111.0299371 4.07813e-08 4.07813e-08 38.87225343 42.47705979 4.07813e-08 4.07813e-08 119.6657554 996.9500864 438.29937 1583.818481 377.4806396 1274.621323 1128.194287 737.707967 762.2863989 1121.022001 48.64394427 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.25052832 38.51206011 4.07813e-08 4.07813e-08 42.96169061 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 910.1032192 4.07813e-08 792.948883 4.07813e-08 Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate 9227.324169 5152.399443 7443.173986 4985.437526 6842.883089 7179.261934 6716.307335 9029.593928 6375.095655 127.4870198 127.428936 229.8246111 7.99833905 164.6407643 4.07813e-08 49.34453659 4.07813e-08 4.07813e-08 17716.7545 15167.28029 11241.81625 13386.98598 15947.81048 15488.8122 14441.72076 20653.98718 19748.30906 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9471.462969 11800.67485 8981.555528 13712.27731 15133.17264 15124.32978 14433.48207 19117.992 23463.56437 11173.83943 9514.465711 10264.39045 8490.432596 6288.133311 4.07813e-08 10034.05025 5776.708149 10735.10396 3-(Cystein-S-yl)acetaminophen 3868.285694 1447.733805 3309.550847 3092.142681 4428.709705 2312.517081 4926.767572 4844.756658 3258.555358 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7638.148173 8345.055618 984.1774258 6882.065313 11440.57591 19700.70389 10085.08335 6653.421561 10451.06382 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.94340009 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6856.931274 3899.931135 931.1527068 5534.534985 8011.200977 10851.86188 17376.07077 7965.11605 4490.944157 7091.290512 5189.106071 4080.451959 2341.286046 957.51091 21.29069041 4270.330975 4.07813e-08 9143.584614 Olomoucine 4.07813e-08 223.605457 94.68508651 206.5249075 4.07813e-08 81.69429705 203.3574786 4.07813e-08 4.07813e-08 3511.393289 3275.639864 4489.419692 3117.296949 3401.314584 5379.676726 2666.618354 526.7178656 3590.104047 136.9375064 226.9066518 339.7525268 120.2364243 314.8473226 234.4395134 73.53957924 214.9260254 431.8804705 8130.498062 3656.100452 3933.888928 4801.507327 9733.793651 7156.507688 4781.487636 2515.508237 3955.064962 245.7650168 227.6714188 134.3647599 535.8284522 123.524162 205.0455049 144.9241951 186.6575154 404.3510708 6.426197899 136.7062551 296.6074187 79.65786042 329.9046076 5350.395964 148.7665021 5196.782511 555.4491521 1-O-alpha-D-Glucopyranosyl-D-mannitol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7506.692858 8280.932864 8232.383526 1836.915767 6434.618063 5078.901054 3104.684473 2227.073367 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3679.810325 5318.201609 6573.613479 2113.404425 2296.012739 7617.962384 8253.944838 2102.79217 2619.232497 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3369.361311 4.07813e-08 8423.494114 4.07813e-08 5-Aminoacenaphthene 7673.861187 7014.880297 7490.057624 7309.118841 6969.226317 5862.258723 5749.974163 6522.73343 6198.35096 4474.328223 3993.028076 3575.799805 4090.215237 4437.333567 3063.948928 5344.578726 3502.07902 4661.021209 5259.715893 5120.607544 4663.312561 4598.564851 4321.385015 4495.100241 5132.206232 5653.574871 6060.224514 2950.507054 4578.832082 4558.255779 4616.469183 4117.010994 4169.205502 3683.2884 4832.91767 5626.235634 5346.378272 4842.364808 4982.55283 4289.819528 3685.504139 4703.269529 4995.784434 6672.596775 5850.33589 5542.165635 5251.137652 5057.622373 4845.563062 4498.643796 3785.471092 5067.943626 4850.620372 6359.58228 10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid 1656.812585 1456.578564 2054.052013 2476.611509 2310.103027 2501.788113 2790.927659 3354.646371 2750.896389 4.07813e-08 37.0827913 105.2417294 103.8840174 242.8329803 35.92180418 345.1005401 184.6915002 184.3452297 2745.550931 3355.861959 2172.179738 2280.693968 3481.469213 4185.209623 2966.247902 4376.330863 3521.872632 38.69446957 103.5478395 226.3373788 177.3009964 420.6040713 334.2553797 136.6813923 605.9009827 336.405303 2006.556895 2536.465664 1968.146062 1976.557332 2352.849778 2755.499979 4177.854391 4006.801893 4415.2511 3666.384817 1810.168049 2540.152546 1459.456833 1549.786829 235.6241622 1958.571564 113.39811 3664.479899 3-Fumarylpyruvate 574.7466474 507.6883793 958.9434024 657.6901323 875.9108282 4.07813e-08 411.568158 523.4986564 559.9032148 168.7115576 190.7024907 423.8654804 160.3608133 349.1129979 319.8607911 227.7848411 148.1649171 224.8621719 343.6459369 249.44255 278.1072094 284.3006043 269.3111356 377.168117 346.0404929 298.9198241 311.9236939 83.26105528 335.9289047 439.4561745 466.0693957 306.189983 554.6563492 248.8392734 537.6752808 512.8600726 481.5964916 166.5705716 121.3759902 209.6011238 227.1457478 578.6116381 277.1342408 282.4376228 727.4725756 357.5166831 489.832632 527.7127535 220.7875356 428.425714 121.6080543 469.7525281 81.19474367 595.2662846 gamma-sanshool 1677.473147 4214.322886 1219.078162 711.9071511 1859.960301 1518.4853 1733.006059 5205.415386 17783.73417 119691.3843 166217.0409 123044.5522 128306.4733 66680.36042 184930.411 175500.545 81297.88419 89192.13436 3344.79722 4103.091785 3185.2397 2940.990762 5161.048798 5899.603622 3718.901501 5203.329766 4262.487176 61921.42918 158394.9566 58526.16262 127747.1093 64410.23391 123257.1429 164082.7243 82770.21089 77909.87768 1632.273599 3660.257227 2738.248767 3182.09565 4117.103315 4305.658904 4986.343682 4911.825353 4758.325307 5016.982757 3758.152215 2257.878807 3109.727368 3025.054235 96868.83605 2108.448518 33815.82686 2822.440492 Plantaricin BN 11.00696761 4.07813e-08 4.07813e-08 4.07813e-08 197.233548 1743.973384 3708.754254 3592.727877 314.1657594 12591.96029 19247.32715 24677.75813 12253.34884 21439.49672 8233.151444 20205.03593 4146.255356 14794.57244 4.07813e-08 30.59219667 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 232.5922905 7279.502287 11366.78201 40576.3639 8266.303495 12387.01747 25826.01492 10885.88408 5497.802221 21196.83568 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 156.0141947 328.5056907 191.6066106 18.66200232 668.8166484 22279.39222 16.65677611 8490.877387 4.07813e-08 EDOXUDINE 313.6785298 737.3283719 345.3068304 885.4800531 860.8487961 824.3535362 1096.377695 770.4957906 447.2896107 104.0614608 46.34625054 4.07813e-08 110.1055939 4.07813e-08 324.5395259 4.07813e-08 109.0062143 85.8554826 551.4283638 1565.839169 386.4965551 523.8577652 2649.792567 3206.756763 1760.915033 1142.892251 1671.658235 109.6274143 91.5253597 137.5875472 47.7424275 172.8267604 165.6789652 412.0382623 4.07813e-08 4.07813e-08 701.9976071 963.8526377 481.5336138 572.3433197 1156.389167 1654.657857 2732.982277 327.4251189 1588.822559 1516.392287 1524.636541 145.425989 249.5360392 60.15474072 217.6051216 624.1818174 4.07813e-08 2191.13303 Iso-Olomoucine 8520.857219 19856.23369 4632.929539 9149.429837 5296.270526 6311.801776 8585.375755 13568.05236 21584.39873 39492.64883 45037.86639 44974.65176 63093.44303 46442.32605 46759.4037 83483.43171 24111.68799 98252.26627 6423.457231 5856.741231 4803.617644 3860.098755 6022.884955 5576.435058 5454.307267 6174.117574 6102.893194 44894.3689 62370.59167 84311.6866 62159.53466 95122.62336 39416.47723 111148.6744 29133.38362 98039.25399 7247.701055 5291.542184 5280.873303 5498.112062 4286.556446 6202.762847 5818.750855 5370.535716 6725.2494 5174.786803 7652.722562 3885.203915 7445.484714 17598.13743 63523.78116 7250.487039 28327.44327 7261.4572 Blasticidin S 4.07813e-08 1204.977889 89.98952912 235.6099944 4.07813e-08 4.07813e-08 337.2728973 707.7608637 4.07813e-08 7360.857208 5395.303928 4238.500122 6645.013458 3635.758248 2423.003559 1837.680502 3473.685997 4339.373656 4.07813e-08 4.07813e-08 98.02199494 4.07813e-08 4.07813e-08 155.8615981 434.8568156 86.58653944 4.07813e-08 4317.079147 4428.680941 5797.843373 2928.60629 6897.312098 3416.228301 4921.459312 1641.349931 3301.595076 419.9011677 213.7782105 4.07813e-08 4.07813e-08 106.335268 158.2164058 4.07813e-08 4.07813e-08 4.07813e-08 315.0286262 4.07813e-08 4.07813e-08 186.2036547 686.3289812 6664.677429 4.07813e-08 5994.514767 4.07813e-08 LysoPA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1739.830365 2723.62537 314.2825006 967.5807913 841.7604451 1313.895836 1344.006195 2519.929321 7054.511799 35552.69645 43236.61582 44844.22892 31031.01594 79777.10642 49795.32047 46423.90459 144830.8303 82115.14785 441.5003966 4.07813e-08 244.626424 37.14077725 575.1227227 0.087176744 4.07813e-08 4.07813e-08 496.0470744 18444.88507 42211.55579 45862.25662 35806.30919 104810.4138 47913.49019 36358.75835 42275.50774 54038.41388 480.6069372 318.8314319 481.8051286 593.826929 151.2992944 145.8958491 4.07813e-08 430.991082 4.07813e-08 447.362757 1100.070073 692.0601362 2365.15036 4254.582753 42634.85669 332.63228 11078.94306 281.6241786 Meglumine 4.07813e-08 74.75950566 482.167678 373.9221017 538.3126807 219.8916821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 282.1266476 4.07813e-08 4.07813e-08 34.31451315 4.07813e-08 4.07813e-08 4.07813e-08 342.879615 267.670058 412.6590971 278.7791074 370.6932597 190.3684288 156.0369069 488.7172662 271.3859885 4.07813e-08 91.06245714 244.0157189 83.72513212 77.08191508 220.5788413 37.79432515 178.4187021 79.01678167 198.6863008 224.3317115 66.99079557 52.60264764 300.6346199 482.7130021 206.5494267 92.75534737 387.89791 1060.145474 1281.643644 163.6223831 341.0241574 262.8915247 69.19418761 382.4186223 128.1523879 561.1916977 3-O-Methylisoproterenol 619.3008214 158.8443495 447.7863063 314.0243332 469.70465 430.8896685 386.1102364 122.6193151 412.3641297 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1020.402765 1823.730486 815.3267906 814.7495131 1533.869934 1521.89153 1196.646091 894.1246223 1913.120115 4.07813e-08 4.07813e-08 4.07813e-08 138.120679 144.4207902 4.07813e-08 73.52938805 4.07813e-08 4.07813e-08 591.5874072 1159.408837 915.6227488 1115.579483 1017.460585 1196.127799 1198.151708 1101.005468 1575.062836 611.8249031 472.1084463 753.4884076 413.6857823 172.0492133 64.14946842 698.5226832 4.07813e-08 942.4784044 9-Decenoylcholine 765.614554 433.7096412 1019.348404 670.3576666 650.6960058 1589.059138 1142.30863 1269.831752 1491.872058 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3527.687715 3914.968719 3597.161462 2740.382944 3124.399452 4038.139579 2598.291313 4318.536513 3592.88706 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1029.945185 2234.542191 1451.528366 2848.979804 2711.144267 2754.065752 3365.976901 3880.20246 3775.312561 1906.701584 1882.71548 2194.979894 1198.481827 1162.558736 4.07813e-08 1668.969354 4.07813e-08 1477.914113 METERGOLINE 3129.683729 6835.585114 2608.513889 2414.149189 1013.994812 2165.360547 2369.132465 6316.270118 2877.851727 39035.41202 32445.34653 27391.62811 41645.35937 8913.696202 60841.98862 22837.55366 18976.19895 27418.68053 469.0355069 1632.296616 1924.995543 2252.719597 1002.67111 375.5624939 1673.039966 12657.56924 929.473732 78298.59293 30540.67153 9897.455802 39305.4806 11404.67915 18010.16834 79394.87089 37002.43037 24408.93868 2100.5089 1032.111667 4237.849155 873.3610484 443.6677958 1505.753535 651.2371159 11563.30707 445.7355437 4.07813e-08 982.233942 2273.108212 3787.253969 11505.93696 29431.44032 2653.354719 29054.20266 850.6070648 3-(a-Naphthoxy)lactic acid 2705.832329 2755.437492 1551.287699 137.4417559 380.6287211 1598.380934 1983.636624 180.15362 359.9046001 1155.426111 1284.274788 4.07813e-08 1439.598904 4.07813e-08 380.1587226 41.26949179 67.94589551 4.07813e-08 5673.538259 5985.751892 5845.758878 4981.489428 6097.438498 5900.21348 4879.56537 6018.807718 6005.841867 1164.441129 887.027209 227.5778985 1360.373113 1693.554048 844.601317 1731.297876 4.07813e-08 106.7383205 4898.228403 4331.412266 3375.235031 5248.137419 5494.143797 6022.295953 5299.460471 6094.53488 6943.671732 4120.70137 3325.738934 4007.408361 2540.254433 2622.321715 1818.841528 3918.394277 3238.026981 3920.318784 Haemanthidine 11517.48815 8011.510636 11520.03311 9570.484121 14144.76617 8776.825636 11676.34969 6846.169383 8174.932117 1358.211282 1579.292699 976.5197217 1680.868374 1430.9723 841.1772377 913.3173222 1577.159853 1347.9904 16033.88612 26616.7208 12302.47864 17356.24395 24206.26289 30548.1893 24323.05521 22515.83932 25787.81801 1498.310166 1116.721141 2027.78151 1582.018581 1689.277128 1717.483785 1921.036084 820.8292647 931.1260801 15516.25415 18545.61493 9703.542651 14843.44214 20463.18508 20269.58334 30959.87893 19965.82164 25486.71756 21225.35054 17196.36721 10687.40488 7222.903881 6658.454852 2398.205251 9345.004852 1635.032955 27923.07776 1-Palmitoylglycerophosphoinositol 2265.978889 8053.080277 2096.000405 535.1502023 2171.620743 2400.441824 2986.360272 13243.57088 8624.679398 22344.74193 22161.28848 21925.5284 12547.60137 23687.3106 15825.83048 48605.35413 17975.63222 20080.27744 413.2414085 419.0602043 4.07813e-08 782.4556923 4.07813e-08 1412.309443 618.1762158 3462.856203 4.07813e-08 6563.250443 12244.18876 45566.32503 12079.00673 20063.22143 9770.84302 52225.13316 19397.06951 34782.12597 290.4578272 4.07813e-08 301.120349 337.9066637 4.07813e-08 4.07813e-08 1614.900795 4.07813e-08 4.07813e-08 1330.306595 4303.133167 2335.151092 2248.121881 5135.050683 9600.994589 2117.666097 2000.91875 1333.453766 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide 2656.728056 1262.074176 2272.513846 1866.112069 1570.043778 1797.452252 1416.498685 2302.289851 2813.564785 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 412.3394533 4.07813e-08 2301.516763 978.0718278 809.0401546 66.42083001 752.2802282 259.9612693 628.7345101 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.64382148 4.07813e-08 1105.460384 1888.219569 2848.635141 1602.936485 1503.263796 1244.944351 554.9509003 140.3935819 1441.352341 4.07813e-08 4.07813e-08 705.7104253 2109.304363 1192.689404 4.07813e-08 1051.196115 4.07813e-08 738.1277289 Cinncassiol A 19-glucoside 1075.069126 3707.14922 490.9712767 386.4627248 339.3614598 524.2843005 1200.552588 1926.212492 2741.050095 23981.50758 16155.51854 31399.28134 25279.47212 12529.54117 41299.11444 20343.18124 11903.67984 15172.23661 4.07813e-08 306.195481 720.0610616 4.07813e-08 261.8129627 4.07813e-08 314.1996375 4.07813e-08 300.3265683 23658.30225 17227.36746 10311.41576 16841.36489 11352.74421 21820.83069 27995.48359 16250.80532 13332.47614 422.8495384 296.732223 630.1959991 4.07813e-08 425.9966377 4.07813e-08 35.96608695 118.5210181 4.07813e-08 81.24503572 533.5735821 334.2337153 2126.805237 6410.339503 18142.1017 519.3019655 15056.67251 4.07813e-08 Serpentine 2158.170255 2943.245858 801.8024202 1230.193222 3473.221227 1010.295388 3938.430847 3135.350689 5996.069862 81906.18254 113342.2085 88828.28384 62548.11703 31360.01009 177780.774 118165.5152 95368.37822 44518.58105 6057.971402 2585.684732 2729.342094 3321.323465 3631.05781 4290.121766 3664.361168 3509.903462 3927.049062 47455.75724 108325.1026 18093.41671 90478.45764 31804.65848 87349.84182 91279.97959 105516.4256 23529.95664 3480.023187 1941.746029 2245.552912 3091.638715 3548.075633 2788.258643 4695.619604 5395.691393 3333.586641 2534.500997 1710.045478 2350.940567 1816.26083 1899.931332 32067.57015 2534.251992 16055.79141 2170.370531 Cymather aldehyde methyl ester 1015.666378 549.927223 972.636346 478.3054959 1334.620279 581.2700659 537.433418 4.07813e-08 95.00728241 4.07813e-08 60.5142102 4.07813e-08 4.07813e-08 60.93923444 59.68986271 4.07813e-08 56.07110569 4.07813e-08 1258.427343 326.7151228 532.9983292 1027.867298 625.4311023 821.6981095 105.2592748 844.6912631 583.1164192 4.07813e-08 50.55220638 4.07813e-08 49.49337882 79.20735576 60.12445544 4.07813e-08 51.34696607 84.25984832 590.3994774 1112.573025 1004.370394 621.3916186 943.8493221 832.9180829 759.5967029 961.8582977 454.6696547 734.2352277 208.5743303 543.7719367 436.125124 118.578248 4.07813e-08 524.0204823 4.07813e-08 727.6487075 Trilostane 12795.85904 17587.88829 8771.809607 10500.09669 8024.904009 8638.410016 13897.99268 17084.20778 16572.76967 2084.395894 3277.728016 2863.318296 1323.789119 2741.910911 2463.396069 2715.636065 947.0454 3722.577812 6766.213591 9276.023954 7959.631303 6284.299354 9398.245338 10480.51008 8242.359577 6264.655588 10581.52182 2256.752709 3404.83779 6105.507004 3416.109788 7848.355114 3583.215984 1706.018739 1392.088302 4121.275044 7049.327256 9072.617219 7272.661604 9522.116449 6591.92495 7586.827604 10214.81737 8130.884933 10083.49013 7521.507255 10181.1776 5870.295988 11329.95976 12814.54727 3723.415565 6668.200661 2631.394096 8310.882051 4'-hydroxymephenytoin 1840.771793 884.472038 855.1555485 1829.876169 785.6315612 1081.710762 1105.255819 1291.547655 1603.817239 1544.604448 2627.715129 1608.203921 2504.311626 2850.333745 1207.707754 2511.565769 926.5313389 3953.670499 2560.046535 2612.484863 1287.171573 1798.27374 2027.714632 2354.758476 1242.960647 2559.853887 2409.932019 507.7859081 3171.325088 5659.179282 2913.110929 6387.579271 3519.667807 3324.027358 225.4477497 3335.897479 1679.681226 1758.216543 1257.472237 2048.976869 1573.260026 2010.905445 2762.799257 3221.406806 3592.167696 1654.162111 1683.638016 1337.035352 1444.292306 2027.597104 2413.540955 1698.028081 1691.047219 1856.280942 2,4'-Diphenyldiamine 490.0229958 87.07254818 968.3144332 1555.731701 1489.991559 950.8850523 630.5955447 109.3460564 4.07813e-08 4.07813e-08 237.1822648 487.595091 57.75822641 561.4996745 140.4400227 131.461091 4.07813e-08 4.07813e-08 675.5647547 701.6368445 622.5027289 565.5818797 854.2495563 905.4474604 512.3367639 651.631666 768.7536083 4.07813e-08 4.07813e-08 301.8141636 114.8808829 145.9378809 267.616725 126.3713724 122.3743816 281.8273828 581.6443829 494.7379263 528.9765855 577.1372573 638.6724067 509.7479339 448.1171078 759.2293535 759.1729117 334.3908411 330.5774514 233.8400798 251.2877415 107.4131713 43.52457674 323.757886 53.37903827 460.4884224 Fluenetil 1142.565261 962.7154557 1954.717333 1014.843703 2383.588168 1283.363001 2190.253567 1628.543006 1173.564968 1349.537894 1696.848392 1387.99327 1435.974071 916.7160853 1963.517984 2557.078988 1407.512882 630.4224311 1324.437379 3321.888871 2658.494838 2201.390086 3214.37493 2846.573066 2271.240466 1507.302891 2002.864564 573.0429931 431.7176975 1934.173792 2071.384591 936.6560158 1586.469626 1818.080388 1850.501846 2861.755533 1303.716729 1266.730849 1378.466559 1379.867131 2316.402803 1975.528762 2262.511786 1242.297086 2347.536492 3742.311795 2045.383925 1115.117508 1075.570832 1070.805033 1317.568333 2404.514853 280.0629389 2282.333585 Penicilloic acid V 4558.955616 4334.1613 3319.662362 2839.157527 2767.460545 3527.955802 3406.183843 2304.869429 2452.072947 1771.950349 1140.115754 1698.046019 1084.808722 548.845632 313.8360957 587.7919739 49.21625581 928.2660036 5380.166093 10646.68661 4339.607181 5693.537931 7673.702701 8623.629505 6846.991301 4078.13227 2462.210502 14.57565451 993.1472869 556.423628 382.7970552 353.6459152 320.4917079 1544.387597 92.44596993 515.1326302 3832.339621 13613.04026 4939.281486 7307.805216 6586.849537 6960.392358 7226.099966 2868.741472 13041.63979 2847.815826 3533.001679 5915.868503 2080.298775 2330.650114 938.6105577 2215.842089 1044.062914 3058.213189 R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one 9634.933633 9721.951044 5143.976155 11413.64563 8259.775787 6523.318719 7052.319155 11870.10078 8357.005892 572.6196107 223.7446384 4.07813e-08 17.13662555 307.2294979 4.07813e-08 4.07813e-08 444.1722165 4.07813e-08 989.133705 867.245007 2718.942265 596.9774613 957.8285179 1680.627511 1701.200882 661.3932958 1678.421196 102.8542693 396.1822386 298.2238168 4.07813e-08 216.974409 307.3017527 4.07813e-08 867.0127209 12.91869607 1156.438706 3059.220575 4585.070228 3547.078066 1381.643648 591.7434993 2161.600641 4.07813e-08 817.6493214 302.7865932 2375.34002 1975.043113 6413.734456 10735.59614 155.418641 2850.286152 240.5246103 1243.101438 HMR1556 1209.134067 394.2177853 1136.56246 708.0483648 1286.970823 1444.148564 338.850412 489.298196 427.962931 4.84233516 145.1168372 4.07813e-08 4.07813e-08 4.07813e-08 192.7714661 177.2116223 802.5283756 138.8862912 2466.390563 3259.012691 1094.524518 1700.15569 7348.551424 9978.568098 3236.023269 5525.376757 6291.96476 159.3411899 95.05071279 4.07813e-08 4.07813e-08 111.3566231 151.0334584 6.775988317 0.520729499 1.336503435 1194.636408 826.4011886 302.6013065 1568.366028 3224.578911 5160.886635 10691.51625 4542.497692 3792.807039 5309.438985 2863.859317 1593.816823 1255.857926 1099.703009 640.3753362 1345.308054 2219.900556 3057.888389 Desglucocheirotoxol 12795.66876 8930.896346 5751.543933 5357.09924 6893.461689 5615.831446 5519.951599 4732.371414 6060.310816 249.2007477 601.5403848 487.0204888 469.7659875 4.07813e-08 353.5683323 39.18845581 360.5796214 4.07813e-08 19190.71648 8605.240984 8325.452386 21110.28896 9651.074922 17644.93259 5881.157226 24510.34431 12361.48438 48.47638505 4.07813e-08 488.6480847 1080.218506 4.07813e-08 4.07813e-08 59.29554408 698.1925993 534.9517744 6768.635288 9010.048552 9952.905064 10344.88747 21804.99007 13144.48785 15533.17032 26759.84149 6626.75344 1948.080442 5921.369752 4946.538905 4989.647369 2677.678615 719.7816466 9036.142324 2295.341073 3247.185744 Furmecyclox 9080.68384 5585.247979 8691.8781 7494.695927 6523.169132 7837.173616 5752.241922 6445.729186 6750.213121 1708.618264 3312.518622 2422.763781 2440.923297 3161.260133 1077.915363 1228.478622 4544.559878 3204.754268 6917.261323 5156.638778 5304.002228 6422.680001 5439.971115 5342.324301 5336.654099 6104.871983 5560.62031 2649.876036 4283.4192 8830.016743 4333.830244 7086.457526 4039.192619 4200.379724 5412.315826 5579.409493 9948.000186 6964.426038 5802.76203 5765.600426 5810.662585 6107.294428 4652.112866 3679.598493 6593.534174 3800.67507 3067.063415 5719.538215 7015.825654 5845.913073 4125.49039 6929.487848 5268.740454 8405.509549 PC(16:0/3:1(2E)) 732.725035 3165.13961 512.8076626 762.5720383 4.07813e-08 459.8027308 1689.505162 6179.038685 9094.823506 12538.25107 7144.283801 6460.56713 7446.131835 301.454003 7152.763208 2128.404714 2000.068954 2291.41936 4.07813e-08 4.07813e-08 1429.174715 4.07813e-08 262.8344817 319.6937725 4.07813e-08 4.07813e-08 657.8247778 26979.25063 6603.121079 0.342944079 4470.412724 1579.868172 1565.143503 15955.66543 18806.6546 3056.877428 225.0156522 4.07813e-08 20.24725329 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2542.863956 1018.359518 2103.499753 5668.196787 2344.623773 50.61459168 16837.27537 377.6523545 4'-Hydroxyminoxidil 433.2297978 604.3306942 255.2319604 470.6447518 370.7188309 218.4126971 117.1861731 461.0307169 718.4595113 8712.398507 8389.854984 8390.251978 7539.225304 6289.703365 5251.238151 4809.490542 671.4330506 6863.726083 1944.779654 1601.710804 1938.479601 2269.308081 1847.344821 2112.163484 1048.740954 1700.675495 2338.882573 8024.906576 7705.227165 4688.279336 5303.658318 6988.382165 9554.907854 9472.877509 1954.461265 6482.805165 663.0385688 1013.055857 964.0567595 1642.791015 1731.177975 2375.672905 1419.691847 2087.248965 2575.122559 1788.418229 1249.553096 897.5630646 443.3130633 815.0317478 8475.556378 684.268327 7769.062596 737.1556071 12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate 3542.712219 9685.842583 4.07813e-08 3143.58652 4.07813e-08 3294.089815 5225.0143 8911.96775 27786.21392 4704.774687 1454.875986 5663.596298 8636.12442 2193.809727 2148.276679 1888.33098 1952.168754 1639.84487 4.07813e-08 629.5070673 4334.531421 766.2172629 4.07813e-08 245.6368484 625.5930868 4.07813e-08 409.6123396 8733.733037 3941.534575 2866.988989 2659.653994 2672.714843 1808.062569 2407.856549 1922.611388 1048.908369 1333.125264 522.4817471 979.7182004 1354.861642 319.5420202 659.487241 4.07813e-08 4.07813e-08 470.1879731 622.5850818 7922.586167 4769.389856 12610.02409 42026.92745 2340.134139 3970.096325 1088.823785 4345.944832 Zidovudine 2929.179925 1264.823084 1908.032497 1805.416631 2999.565244 1463.091458 2153.715503 1127.120465 1310.663501 86.67046811 278.3924099 103.1252456 694.6643318 241.7760794 148.7104506 46.04551963 162.7766028 781.4421273 5001.911923 4628.956715 5411.267278 4989.095398 7914.118144 5451.369467 5270.106958 3254.631675 3408.302295 366.9285821 173.2180445 157.2850571 14.38447904 263.3528854 268.8323188 191.9144258 19.38233919 215.764335 2885.673392 2995.287306 3646.080064 4077.900107 5593.111676 7659.670492 6018.073548 2775.688637 3683.08609 7216.314284 2953.442112 5193.696451 2512.312669 2804.712218 395.0272466 4633.779993 4.07813e-08 2724.138313 Goniothalenol 338.4175585 2241.942515 960.81963 317.6326033 714.5773797 622.4426744 1352.567098 1239.676452 1226.942245 4820.554111 1328.045659 4277.271791 5085.176931 4026.719936 2009.20123 1101.241849 3033.994142 6527.798925 254.1098955 683.7950351 294.3782511 322.4392087 809.6643806 1172.736539 720.5361029 663.5929015 626.0946876 1102.689175 3180.246042 3170.988349 2294.55442 2430.272272 1655.536305 1709.14533 1543.175065 2447.719874 228.7322439 496.4309704 675.9102504 322.4940739 650.2177036 562.0070944 1095.34123 634.183886 567.7828222 333.6865245 381.009126 282.528158 203.4855062 369.4837283 3174.591371 485.0481189 440.6209104 1010.12517 Buprenorphine glucuronide 1215.85279 8312.938659 4.07813e-08 290.2090439 4.07813e-08 3118.730759 4.07813e-08 1342.375216 2803.92809 1284.191365 1044.279527 1070.241215 4279.78218 6806.385276 6758.070535 4016.238366 6236.921418 3884.997161 4.07813e-08 437.4677004 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3590.310809 4.07813e-08 6203.032592 1986.376866 3719.345757 3903.081065 3881.746564 301.1428578 6924.954934 3788.422256 3466.90888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 601.9534375 163.6232587 892.5126354 4.07813e-08 284.102497 45548.47452 2988.888674 5608.079228 37940.35332 2503.888002 2740.437933 28210.93344 40232.80431 Dihydromyoporone 1588.631616 1362.391017 1694.055854 1557.203291 1523.071099 1686.200073 1349.157904 1546.561023 1048.252168 439.7634573 111.0535188 317.8941513 386.7436691 429.7948032 158.217704 293.2245896 60.09266932 596.4193931 2173.468424 1286.05622 1624.149292 1888.262174 2032.809918 1450.490856 1902.307663 477.61974 1074.58981 82.88807973 290.5887733 287.9245935 145.8962875 61.60009971 278.1759571 198.5154894 406.9797111 189.421912 1874.738235 1603.328564 1275.463799 1539.212023 1666.98364 2068.904317 1776.620534 1239.357361 648.6398576 1489.634003 1106.863692 1890.196469 1274.218725 1135.377152 503.4564309 1207.869467 645.3412095 1225.860234 9-Nitroanthracene 3448.989455 1543.220979 3063.361275 1678.859903 2486.050761 6220.467098 4836.236876 2571.435735 5982.200801 418.7841738 377.9353743 595.7174843 287.2378241 692.5855645 451.1229376 440.9116987 64.39172713 610.2012564 2094.193695 4805.205424 3756.019897 1101.252901 10174.6877 6134.112663 1072.226326 580.9828374 8303.379713 344.5731194 375.0805258 558.3061211 140.9203612 434.3640988 568.4538127 111.0854842 156.9991502 455.4009646 248.6573064 3258.003697 1252.042286 8993.626195 2958.534208 1772.046126 11797.36885 770.8961902 502.7980745 1281.373914 1300.476074 1605.448252 1427.015811 949.8422476 286.1056803 2649.717487 604.3424241 3946.634952 Disopyramide 389.5869007 229.2365671 270.1070307 455.7766208 170.0254337 4.07813e-08 4.07813e-08 4.07813e-08 330.1981364 219.3056387 299.2233399 218.3163903 23.53914516 130.2070987 7121.566947 4.07813e-08 228.3339484 1380.706147 1361.282328 2454.525273 1589.563953 1981.16591 1112.803541 1308.040798 862.3438425 924.1480768 2105.010395 296.6233386 151.4377197 360.6076397 155.5343299 3779.101154 308.158188 294.3986793 73.47216476 398.7044343 1134.192055 1408.992018 713.6648684 762.2059836 2015.168378 2064.538519 899.0354594 2188.821611 1826.679094 957.0975437 231.9621993 744.953218 266.2648841 2001.678268 1187.905954 282.0880809 1683.845883 1003.960815 Probenazole 6081.724972 3848.641384 4622.551057 4895.625921 4918.434646 5200.234337 4271.121543 7398.321827 5068.550292 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4982.733471 4928.741932 3714.742263 4308.72365 3613.66178 4905.672826 4209.77706 5069.673191 4814.118393 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4025.311485 4898.353557 3980.238211 3405.426678 3896.260799 4224.826396 4175.721816 5434.877702 3471.356069 3929.445548 2840.032381 4415.882331 2995.479438 3168.061444 57.34711047 3868.691715 4.07813e-08 4599.835227 N-Acetylserotonin glucuronide 3917.127535 3128.94562 2563.06647 3323.001557 3647.87868 3463.914232 5987.901073 2758.130546 4502.767143 412.9826661 2583.9077 824.8484386 546.362359 4.07813e-08 4.07813e-08 479.5924149 4.07813e-08 364.3714485 3044.594791 8313.084908 3102.034007 3318.496075 5496.247848 4368.303126 6183.896546 4344.947266 6697.310121 4.07813e-08 113.3457846 776.2705065 4.07813e-08 1489.952767 4.07813e-08 7.427228785 4.07813e-08 175.5998299 2841.004545 7539.531267 2293.753057 2282.729248 3522.18147 5758.54509 3374.421861 3727.394639 12051.38091 2017.717335 3931.024518 2077.880384 3197.627128 3159.827762 270.6149899 2547.641052 181.0556813 4581.600734 (S)-Norreticuline 853.0064298 838.0049183 1830.915862 333.4659326 513.1582054 621.5873596 289.5244946 436.5487908 895.8114854 1029.38609 687.5376659 189.5690139 434.4355175 234.3236989 381.2796284 4.032801399 165.6386485 159.3356157 1233.538843 2040.950058 2276.158241 1977.314748 812.1778415 1995.036001 1095.584204 4431.100712 2431.160282 310.1932905 375.9385774 378.8988801 735.4322279 301.4188464 182.8365134 456.7866662 91.35672472 4.07813e-08 1487.864357 1730.688456 2999.040016 2007.161295 2287.405525 2101.171479 652.0728949 3988.136891 3724.564382 403.0624635 211.6875795 861.5894892 2309.599654 1930.95588 477.8374447 1366.867309 333.635245 847.1329966 (S)-Pterosin P 6142.590567 4954.10617 5239.273358 4930.22137 7110.769968 5302.168845 6223.305813 4947.722646 5224.199004 1936.199249 1557.450922 1283.743795 1895.595367 1626.151688 1197.380439 1543.520293 2069.689246 2284.707572 8565.165126 7446.140567 6404.66293 6648.788403 7422.90568 8172.259452 7706.472224 7042.492907 6958.357374 1750.510812 1857.582357 2473.84401 1375.558089 2647.370063 1931.237468 1686.960674 1727.618014 2096.807559 5849.520211 6343.084007 6302.549144 5665.643913 7370.166328 8425.012771 7185.852614 6969.590361 6892.245334 10761.88205 7067.112805 7696.69528 5556.559566 5387.165885 2894.236923 6341.239549 2404.07673 6805.744756 Sucrose 43.6283503 561.7574148 4.07813e-08 163.8090927 21.41900977 4.07813e-08 4.07813e-08 181.4168062 4.07813e-08 1965.601015 1815.764711 6831.83448 1549.100624 3372.700372 6949.72393 6513.586446 3755.149866 1709.124495 234.8733344 763.6179058 111.8852235 148.3436822 699.8728153 748.0921567 394.4793893 26.05072342 488.0072965 985.0826551 2128.145085 9371.431289 1081.401676 1863.818508 1718.54882 4198.633208 662.5290081 2167.270052 273.3899539 108.8220685 253.2698154 372.7088949 226.6374518 396.6820029 760.5455635 125.6925664 928.4197247 971.2519978 503.564839 109.5778005 0.731721557 280.6681685 7551.461357 409.0489248 3315.006001 544.3171751 ISOTECTORIGENIN, 7-METHYL ETHER 1452.406421 1193.148779 1791.570128 3216.637452 4908.686778 2622.25377 2111.181523 1231.511295 868.4766021 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4606.00423 2922.125622 3813.133551 3905.594723 6248.900058 3415.649591 3491.915311 3490.342056 2993.196943 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1696.726527 2194.532251 2555.365071 3766.767647 2536.38459 5195.439516 3056.944144 2953.821213 3659.511553 3335.069654 2538.648822 2109.577572 2977.905036 2483.401891 4.07813e-08 2881.740472 4.07813e-08 2203.917217 methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate 3413.888742 687.3691059 2891.287151 4351.192969 5089.660856 3960.237509 3461.477003 2227.499339 1785.435937 4204.451799 5898.777192 5467.109593 4686.924743 8089.706906 3300.927433 3892.260948 9844.450819 4269.550244 3476.606468 3330.552067 1870.242432 3109.61965 3159.434566 3019.808775 3697.860979 4032.823076 3539.865269 1553.877183 3676.799422 6665.828166 3615.833811 7105.267231 2543.367278 4312.169847 5973.093354 5290.099246 2774.765724 2846.525701 2791.941708 2579.656649 2641.4634 3396.469595 3917.723739 3959.046651 3491.43444 4233.796111 2841.049894 3177.217767 2415.284275 2418.802975 2776.494558 3316.810649 6071.314994 3168.566396 Coronatine 2489.484643 1162.734718 2037.971868 2022.173903 2339.144072 2119.76734 2466.187215 1877.011355 1720.770329 965.5211246 855.1388151 1729.681607 1171.34759 2168.345342 836.4448899 902.0945107 779.0216349 232.1114334 3442.349058 4100.413284 3867.528631 3556.837534 4985.137652 5606.50414 4914.512338 5242.039483 3425.473382 547.0540063 1192.069868 2486.535847 696.8465909 2184.766875 2247.330953 896.5328068 648.3253169 1116.188706 3580.222782 3710.639198 3744.076367 4287.175593 3371.346659 3703.053809 3980.378283 4001.167555 6713.193241 3421.760934 2389.493354 2328.150099 1483.037326 2074.297735 1479.259394 1546.484474 1566.739966 2306.444979 Combrestatin A4 988.0170595 1151.007724 1900.944663 1989.014027 2000.471747 2285.034056 1428.560786 2054.542296 1758.776849 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2317.722358 2429.643382 3325.663458 2760.799478 1991.689692 2836.261072 1877.602303 2822.465802 3050.454773 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1416.741769 2266.299745 2603.593445 2752.161335 2557.751592 1811.460338 2828.853459 2545.604405 2217.333361 3350.296707 2218.438001 1805.51851 1158.78244 1332.971279 4.07813e-08 1689.449075 4.07813e-08 1595.392225 N-(3-oxododecanoyl) homoserine lactone 3022.086579 2530.791991 25.10539274 928.1076169 9.485659622 792.0662851 3507.876378 41.69090858 456.2253682 4285.003851 2208.749562 4.07813e-08 4764.190894 6066.808078 8015.698872 4713.964523 1922.738656 3059.357756 1106.603488 4.07813e-08 939.3761305 232.5558685 137.2561627 769.3031515 4.135217092 452.8875991 479.4237063 374.5277936 4.07813e-08 213.2504932 159.0788698 2940.528993 1517.751981 5853.969679 4.07813e-08 322.9879222 2185.938389 0.902055837 12.30336552 2.660071202 4.07813e-08 339.4711831 100.3724855 4.07813e-08 4.07813e-08 4.07813e-08 97.99121534 100.4040046 3.193786537 72.0238465 1638.675673 4.07813e-08 4.07813e-08 174.2867088 3-Oxo-delta1-steroid 1147.821991 4.07813e-08 6925.624294 5145.970358 8317.132478 1384.311264 318.3293245 2940.90899 3439.573672 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 645.7543379 737.420027 2515.437709 4212.39711 3049.062114 1327.491579 3842.341446 4621.282626 2465.993759 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2911.734706 1105.887262 4764.134624 3322.091368 4618.95695 2250.388183 1922.191368 3352.862373 7473.127162 5544.394858 6420.341154 4305.865395 1353.529106 2595.250119 4.07813e-08 5234.536626 161.9308602 467.9424979 Trilobatin 4.07813e-08 163.1773567 4.07813e-08 154.9247675 4.07813e-08 151.7149697 162.2220806 315.4093868 4.07813e-08 1008.213222 879.0108453 1909.273611 969.8688213 2480.375814 796.9081773 880.2279377 1002.159468 1431.424738 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 913.5667004 965.1231948 2783.568829 957.4484262 1496.129766 1715.68348 1325.898194 1774.817164 2002.652301 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1632.282232 4.07813e-08 1158.876692 4.07813e-08 PC(8:0/7:0)[U] 214.4798889 3668.672548 1470.782575 1958.674318 4.07813e-08 4.07813e-08 368.2572745 1224.413824 965.7432879 9671.352104 8155.268942 4710.68125 9104.76978 3848.090068 8276.918535 1027.146765 4206.390807 3655.238111 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.34223855 411.5975145 4.07813e-08 4.07813e-08 4.07813e-08 1684.467856 4378.147281 6168.424476 3353.414613 5548.887919 4952.439681 4519.232286 2604.15464 4009.895614 744.8926712 237.2521196 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 147.445654 4.07813e-08 397.6055548 107.0337873 4.07813e-08 387.9706779 4.07813e-08 673.9152936 6889.09634 50.77792583 4431.306876 385.0367822 3-Amino-4-hydroxybiphenyl 335.1902278 4.07813e-08 576.7792702 78.14787996 1762.69905 1405.760756 419.2949906 1390.834337 259.4938822 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3227.042487 2659.103973 2950.416698 1159.42591 1564.059449 1342.964655 1223.346624 5400.481774 1548.670487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 834.5662258 1144.638359 947.5395472 1034.746703 1148.521846 1952.298205 1709.076366 4420.654474 842.9828678 2954.907571 716.4172962 344.655784 717.2902263 317.0739819 4.07813e-08 1548.881947 4.07813e-08 1238.425896 19(20)-EpDPE 626.2650298 171.9342242 19.55951369 140.1698103 95.58819142 66.30406386 438.4496905 28.58885677 36.85652452 1480.371914 1499.017402 1022.416485 1165.239245 931.8874616 2558.412423 695.5236429 4.07813e-08 0.81998662 382.0117317 85.71072748 93.31304928 44.88795646 576.4325726 112.5632678 92.30981705 33691.55611 26376.14776 405.0576608 1598.519805 1386.594201 1176.927208 2932.658551 2001.305486 1836.588446 1261.517707 704.8478025 944.8666716 529.7423088 453.69588 356.7042452 589.7397698 75.11149617 40.50272242 24032.73405 20173.25137 325.8465965 318.5700233 258.7782028 48.71796645 645.8537806 2548.494258 338.153153 1304.14261 67.74919658 Lysergic acid diethylamide 4.07813e-08 204.7062015 5.764593651 227.2725604 6.415146715 2.295484943 903.0238268 4.07813e-08 1.59725442 4558.451975 3243.442089 1788.708559 5614.881273 2826.81416 4220.555095 1025.997824 2676.793158 482.3105854 150.3050606 11.41828392 0.009432235 103.3579857 149.5263782 42.18227808 0.373386233 1.483018203 122.6925614 389.4813723 1554.758374 3131.631221 1022.601135 3878.43403 2345.538524 1414.065973 1667.840688 748.4820359 158.5580665 8.408025341 8.541741141 1.063741001 311.803154 374.5510955 139.3949066 134.5729226 1.309742277 128.1552534 165.6070124 350.1542927 4.07813e-08 123.3738653 3790.881889 4.071840004 2742.70121 0.009304886 Tetrahydrofurfuryl cinnamate 3545.743246 1754.079682 2063.848921 976.968535 1111.994716 1512.859648 2802.018552 699.2498308 2141.509151 413.6969007 280.2709623 90.84419856 437.6456067 50.98093211 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3220.282791 3315.764391 1647.609454 3268.577014 4382.883564 2939.287383 4753.783664 995.6265676 1940.645108 4.07813e-08 211.3835629 176.4378022 51.99980406 4.07813e-08 46.92106915 113.4661077 4.07813e-08 66.5823391 2947.435156 4621.104106 3898.756064 1779.902237 2851.374512 4808.491034 2697.020439 1571.172162 1225.812428 2174.681574 2304.853384 4380.900598 1473.354519 1148.103839 349.2329192 4008.01011 337.2771509 892.8493478 PC(14:2(Z)l8,8/0:0)[U] 9764.883839 17210.9605 9161.520607 8498.970835 14586.62721 10709.89504 10740.42235 7073.063896 3835.611995 40653.9068 61313.30745 30988.0442 38044.02836 37830.46189 54203.1 33570.81417 4518.995651 15025.67128 20085.74213 17078.79144 14451.79252 11920.88864 14588.15074 13739.19398 13554.96447 11924.92009 13427.8141 2948.530488 35369.08268 54039.03616 26466.72066 51540.93345 68231.40092 25796.1854 9288.708241 25806.6266 22336.74781 10796.59873 11407.52417 11809.41906 12604.43835 16897.41157 10791.29221 12555.47694 17547.74355 9309.598717 7992.54672 9646.435807 9601.115675 9557.530729 47130.35339 14024.76953 59008.18383 14528.12177 all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid 21486.67567 16724.21619 17840.71446 18035.6251 19781.74588 18970.50259 17491.82824 14199.55758 14585.9973 5657.680385 5726.98683 4594.696999 5890.59153 5532.910411 2980.104848 3972.162368 3279.353961 5566.583955 24899.67759 23183.16465 19528.66885 24027.67729 31180.37557 25032.36085 20793.69136 19562.27404 16192.77343 1699.738593 4893.552436 8222.221091 3484.480609 8041.665285 5378.947513 4546.872657 3293.120101 6913.880705 17783.64851 24247.53178 21195.28332 20668.41815 25199.52574 29110.92867 22664.70804 17088.57764 29386.5813 18867.76827 18170.40368 19123.08679 15291.02056 14225.38935 5244.110502 20666.54915 8369.551352 20869.60001 3-Methoxyestra-1,3,5(10),16-tetraene 4.07813e-08 95.37499698 29.06250163 14.7451604 127.3818981 4.193550752 78.59124271 4.07813e-08 4.07813e-08 4.07813e-08 817.6193462 1665.529045 4.07813e-08 2263.432135 1143.973711 5577.959022 4.07813e-08 65.35313135 55.84062324 145.4152524 444.7932847 250.9863678 458.3288587 191.8804773 297.0809254 122.2118337 322.9565392 4.07813e-08 606.0561648 4.07813e-08 272.3498457 4.07813e-08 1105.186354 578.4691448 2211.119478 12.93349993 96.42350564 140.8109811 324.1070271 440.6082453 305.5327063 237.9128161 52.61445305 400.6577645 12.29891566 207.7897896 98.41256406 119.2768193 8.133644595 7.407235381 4.07813e-08 225.5842517 4.07813e-08 162.3174241 methyl 9,12-dihydroxy-13-oxo-10-octadecenoate 2663.812067 2080.681565 2588.709057 5085.072128 3245.881859 3505.537488 3657.485953 2108.946287 2138.11582 1530.435556 1438.085899 465.1567501 659.6467963 338.8933629 2806.038275 4.07813e-08 4.07813e-08 1399.986118 2567.729127 2505.677265 2578.290499 5144.664898 3603.195669 3397.432961 3062.302622 2556.622455 3246.587496 4.07813e-08 1047.102636 1355.096733 1203.10209 1372.901507 1333.960675 658.2307687 4.07813e-08 450.255918 2777.821888 2968.238428 2930.544559 3617.475774 5682.447109 4014.246082 3745.378053 1852.531809 1970.536691 3202.421906 2783.567767 3361.838574 3321.967013 1824.678862 1291.59404 2969.327321 669.2225541 2131.124043 U-75302 2163.959457 1650.763748 1916.721217 2337.977054 839.7827162 1607.264047 2047.991052 5957.470987 2264.252643 4.07813e-08 4.07813e-08 4.07813e-08 251.757259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 671.1402412 5977.341303 5541.613367 3930.385978 4849.409193 7605.049167 7315.419673 2322.205317 4974.280528 3287.806234 4.07813e-08 344.2757968 352.0944093 224.6898034 930.7938844 1006.247916 980.7170561 4.07813e-08 4.07813e-08 3097.344482 3976.534909 2655.194417 3139.755949 5827.76261 6250.15137 6199.729372 4161.358473 3538.258197 1852.842966 1823.732911 3572.287312 5145.480919 3721.927989 864.5873103 3896.781782 128.1855094 2423.662269 Tetraneurin A 5686.971983 3858.51652 4859.46019 5274.824736 5160.294295 6493.818426 7205.298626 3846.391879 2888.657984 193.8451311 4.07813e-08 212.4835358 132.9946145 185.0680905 16.52873228 4.07813e-08 273.2992486 4.07813e-08 5931.221576 6980.151211 6020.597267 9975.676097 6551.347444 9559.583757 4403.789377 7074.526898 4165.904953 15.40278344 8.45238459 4.07813e-08 38.32932697 94.86228032 225.475621 4.07813e-08 81.34896603 110.0629877 5122.938265 5351.426723 3682.591769 5411.642277 6220.817128 5070.118786 6060.468461 5726.574166 5867.623527 13050.44522 4310.669569 4689.653398 4562.304673 3007.659848 2054.130361 3729.146635 152.6818341 8376.360417 1-Oleoyl-2-acetyl-sn-glycerol 18532.90843 19537.68465 26271.39982 28454.61424 42368.74694 21017.90477 20316.38411 6334.086587 7773.870284 4348.761375 8670.772002 13712.26781 6451.279587 13686.87211 13914.3991 7006.712351 1922.232602 1518.6324 26162.38135 26597.17745 23238.22577 26022.38872 27204.57035 24199.21517 21346.43203 29859.18207 27096.10957 4296.461314 5667.962417 12526.05038 4554.440393 11644.02327 11881.77236 6818.955643 7733.498071 8298.444909 19172.91825 22700.13424 18987.57934 24794.82259 23288.64598 26038.4024 25359.243 29877.88181 34975.88039 22218.59449 21105.40266 19764.27505 13735.22406 15425.62301 7814.333542 15923.35231 6800.55933 20492.72415 1-Hydroxyibuprofen 627.0721479 539.6563538 1356.555582 1088.405302 1661.295628 905.4842259 2202.676977 1450.271322 965.8360301 43.66344592 4.07813e-08 44.83199701 4.07813e-08 4.07813e-08 46.458316 106.9906198 4.07813e-08 4.07813e-08 2593.532942 3041.536968 157.1374381 1648.288305 1534.362247 2902.645631 2085.185238 1958.967759 2357.928446 4.07813e-08 4.07813e-08 60.41089089 4.07813e-08 93.17888677 4.07813e-08 51.06074661 4.07813e-08 4.07813e-08 1746.357719 2940.177888 1161.44034 1317.595207 1922.96457 1718.326494 2758.278505 2222.670585 1712.899035 2196.900173 2710.034785 2203.826737 1879.985732 544.5200143 52.621668 1955.770586 59.29372764 2602.070937 Auxin a 20142.18828 18665.33766 18737.02991 19483.75762 20039.30438 20742.41059 21401.86118 14602.05884 17084.63596 8784.270202 9244.737106 6743.663415 8527.046392 7662.723946 10334.20907 6505.168362 7820.06915 8311.362949 20240.95033 20177.6631 17235.03019 21178.99251 21372.95229 22070.01488 20003.69131 15245.3195 14574.36621 4069.758321 6409.075672 7485.845079 6177.689136 8156.410509 6110.11938 6486.226422 6466.244177 6401.913201 17182.02746 21676.45178 18492.43165 17427.97506 19999.51857 21547.31082 21943.84213 16000.15181 17811.99433 20300.5593 17734.76079 21620.92551 15882.72989 14147.38468 8208.782128 18475.81497 7958.079778 15529.45222 Citronellyl alpha-toluate 828.6361431 291.490702 1011.911229 473.9534809 778.7869899 829.2171964 914.7998282 1439.734577 1059.841782 4.07813e-08 54.84168661 61.18839533 4.07813e-08 100.7129817 4.07813e-08 79.34630424 4.07813e-08 4.07813e-08 1731.72585 2036.955155 868.1273439 1442.653759 2005.6235 1812.998132 1435.912808 1961.980842 2448.327653 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 320.7367905 4.07813e-08 1141.239184 1619.574387 366.356135 1190.241363 1971.80099 1594.288189 1773.690506 2002.013913 1774.816902 1244.107492 1171.933941 1037.944002 1008.23138 438.2482829 4.07813e-08 938.6804284 4.07813e-08 1150.015398 8,9-DiHETrE-EA 6477.596406 6241.603633 3618.453636 4089.622968 2577.04756 1516.636074 4522.725647 10343.94191 9653.237919 1009.405428 1071.945244 1487.793137 1525.660077 1216.251705 1925.963417 4.07813e-08 2276.654915 5376.387741 2617.490742 1366.861173 2184.942098 6343.375395 2255.141567 2004.931568 7503.601857 1214.200099 1196.43012 3463.608187 2223.867857 1178.874933 860.6248896 4115.113968 1698.529709 2903.054075 2134.977659 469.0152005 5940.605049 3927.148614 3434.241391 4925.34565 4731.021383 3460.970662 1482.946563 651.2445872 3896.516654 714.7021807 1347.744826 2406.768027 3678.366792 7416.505355 7102.098812 2909.1712 841.5760473 1758.917613 1b-Furanoeudesm-4(15)-en-1-ol acetate 4.07813e-08 1529.885681 4.07813e-08 4.07813e-08 72.66385018 4.07813e-08 0.144175675 4.07813e-08 4.07813e-08 1059.15525 2325.609349 4792.278895 871.1402264 12615.09247 10474.85176 3538.133639 4483.411394 4242.271624 4.07813e-08 4.07813e-08 4.07813e-08 6.870488248 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2660.133555 792.3950196 6724.488671 2190.691585 3634.521119 1501.933311 983.5908393 3154.442974 5533.876664 4.07813e-08 1.464785238 0.060071364 0.341837601 77.389849 2.836625491 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 300.7815597 4.07813e-08 731.0793482 61.47976965 2545.170632 88.75101458 557.4880387 4.07813e-08 Leukotriene A3 methyl ester 6049.412078 1522.731244 3309.10387 6896.322008 8269.675667 9343.564545 1160.068575 11159.08639 5074.239939 4.07813e-08 8.98508545 4.07813e-08 4.07813e-08 4.07813e-08 20.61569994 4.07813e-08 4.07813e-08 4.07813e-08 2440.576945 4503.412531 3555.461961 10614.18208 4440.023318 1429.802874 769.0490765 1701.105915 3688.736111 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31791.85669 5150.146447 3308.512722 5595.682365 7121.261551 3174.929929 1921.852819 1252.603379 1884.563054 963.9700912 3755.628715 980.2142946 2036.443189 2895.80354 4.07813e-08 1704.871773 4.07813e-08 2182.812479 alpha-Terpineol propanoate 9135.627759 10144.24048 6311.292587 6556.95228 11114.18131 6103.022458 9245.497247 6307.406482 7427.735528 2551.526187 4483.198312 1789.222115 2112.56542 559.7522234 2546.66217 8530.770016 4.07813e-08 2700.861751 2593.497367 2650.298722 2640.280522 4665.159483 2716.021919 2258.134625 4529.795877 6448.253594 5741.312394 595.2391452 2163.44438 3651.573278 3523.159258 3885.917731 3601.556027 2640.389918 860.5929535 3424.635743 5384.593647 3444.399345 3802.38163 2489.86625 2845.853455 4018.632251 2645.38522 5170.074646 3898.819658 2791.654171 3756.284786 4200.140247 13667.82067 6276.332938 3354.269665 6805.971627 4644.648526 11567.87802 oxy-Arachidonoyl Ethanolamide 9318.983127 6550.556143 3993.56468 3892.207628 2222.538461 2694.715528 6011.603512 12163.70048 13477.46462 2536.444118 2067.634241 368.4073236 1921.343189 751.8254038 1762.509551 4.07813e-08 1336.657083 3234.315047 5451.806515 4255.384739 3171.44204 6765.651847 4588.104124 5297.562694 8080.302825 4464.170795 3511.249642 1907.770691 2238.007363 1252.763471 973.7260584 3792.552937 2144.202493 3391.000641 4.07813e-08 158.0435816 6928.338647 6790.277779 4278.263687 5435.368698 7077.942954 5109.874367 4353.177197 3633.579596 6577.074528 1362.95852 2432.810415 3370.86415 4855.880156 8669.537172 5274.138408 4007.078952 974.8640798 3623.098986 Arachidonoyl Glycine-d8 38929.37935 25171.75975 16116.99765 21102.95403 45739.56977 5447.358406 4377.304672 12626.3404 5932.659587 24330.53159 26309.64677 34717.20715 24839.81162 85953.03186 2156.981331 31486.77085 22033.79394 7046.009313 33619.34766 8939.264591 11118.98577 16299.5153 44783.04414 22568.09122 8775.595486 20490.57121 4302.927998 12847.01604 15924.49974 25599.48487 3333.574942 28135.10679 4731.717676 3241.715422 21017.57797 11551.54034 16353.1873 20527.81844 11900.82506 9817.810478 17536.24052 27231.9057 22267.24172 18647.77724 79647.48709 3355.114987 8069.485608 3856.473859 5906.981594 3907.835144 1004.607807 20282.93652 13824.08086 16349.11559 Sorbitan palmitate 10489.10301 7955.88443 14190.69206 19263.8499 25299.53357 28668.68895 10459.64656 4922.099259 5747.377549 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 280.980705 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11156.45533 9378.786894 7756.61002 8382.297102 11020.93853 11755.77475 5041.03733 5751.793245 9263.574903 4.07813e-08 204.702155 4.07813e-08 153.7579309 495.4656313 61.92143859 145.6340149 156.2552191 4.07813e-08 7094.106243 9802.3402 6570.009265 10651.28481 5543.557494 7255.308109 10686.8355 6876.244377 9864.667405 6631.787917 6113.403574 7544.152436 4359.28874 2670.952576 614.9526813 6375.041653 102.8625653 9299.99936 Tsuzuic acid 4107.775758 3670.507851 3890.791097 3364.957129 3453.315008 3044.553258 3246.524082 3780.463922 3854.336202 2455.141735 2519.526449 2263.295604 2051.492977 2289.535147 1901.758495 3201.636333 2309.157357 2857.123367 2203.797481 1884.54928 2430.820401 2576.290214 1851.694293 1799.620797 2488.839702 3038.178832 2389.175611 2116.068354 2625.223796 3094.5343 3505.163603 2195.568586 2806.762413 2182.086762 2859.355381 2941.311232 2916.665 2300.376017 2569.1287 2004.596188 2211.046565 2406.94642 1901.858932 3047.075222 2504.331811 2559.350407 2247.562672 2925.537082 2611.804949 2829.392599 2413.862662 2574.886169 2613.131079 3072.211002 (5Z,8Z)-tetradecadienoylcarnitine 2409.847511 1474.828905 2738.037158 564.3348676 1150.163636 6951.96141 6533.935401 2623.025596 1979.714945 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10553.29568 5254.230534 6936.645797 6059.306071 12032.64401 15680.86849 8265.510887 9994.375883 6474.746316 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4078.843164 5593.522273 4161.221453 9361.637414 8314.223542 8395.642065 17760.10915 9493.074077 7651.06325 8667.745898 4146.988706 4667.565979 2349.752148 2595.793661 4.07813e-08 3108.936228 74.64776542 2819.594611 Pitheduloside I 2581.641281 998.8240846 2249.455338 7832.329718 2895.401846 4836.159995 5201.659005 3918.092819 2925.806999 4.07813e-08 4.07813e-08 435.7580597 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2063.616005 371.6281231 11133.72973 7795.373198 7640.690903 12534.69479 11606.00956 10821.93492 6025.727297 8419.502564 12383.07387 214.9158197 171.1998187 1450.196893 520.8700721 341.5143704 5034.95967 116.0369996 655.0088539 4.07813e-08 7897.076378 5329.4369 5779.241585 12552.62448 14497.63181 9059.155864 11241.46448 9931.575693 9159.53534 7268.335445 8479.428434 10086.64164 9069.712352 6669.805524 2549.150594 7490.538071 1999.603961 10476.93625 U-51605 2615.951845 2554.812959 5447.743826 8984.567596 8164.277968 2313.1412 1299.659751 5568.291316 2067.146314 1349.129187 2651.385089 4302.159314 1060.798047 4652.799011 1301.315392 21318.71408 11240.19209 2931.584264 3099.059844 751.1110272 3657.123803 1573.406443 4249.006801 1614.273289 818.0927213 1799.311706 1245.024271 3685.808542 2149.382915 6963.394038 955.0987465 1561.588071 1368.377174 1270.461509 10901.84415 3570.19429 1602.551915 2494.516683 2693.509759 4640.863044 2711.385648 2334.313212 2370.828189 2138.111886 1527.087357 4.07813e-08 633.2694879 1738.073816 1287.119658 1592.232744 4.07813e-08 2075.485937 1551.221198 2136.962553 Zwittergent 3-14 613.6393703 620.2929402 322.9721802 774.9908858 107.2078157 1074.96086 1348.53885 1019.761164 1110.268466 177.3534874 248.124639 39.28895936 28.82182835 301.5437866 4.07813e-08 18.41946456 2200.022459 154.7311038 587.6449172 36.93105421 698.7677839 671.9276455 2807.561467 2551.1923 582.0335667 107.3162503 4643.220462 36.98984993 17.19365537 44.97860591 21.03213024 68.04891771 16.33808029 75.91491713 189.6906693 111.2108758 579.0894085 1627.81362 1313.174439 575.946897 1305.804095 1316.540298 1891.375672 295.9136386 2492.776552 10466.87564 562.8656778 1557.523992 851.3401842 939.9064216 134.1858642 848.3353481 118.800447 3120.392139 Piperochromanoic acid 157.7667883 1602.128978 374.6524181 169.5862399 125.4203431 671.4338985 1613.665247 1860.801656 327.4356437 3455.773533 2895.490781 562.9869516 3679.812399 1031.332991 1275.628326 4.07813e-08 2870.652078 433.1454874 956.1318566 1362.435256 1423.659074 2775.767377 4.07813e-08 849.7264577 4.07813e-08 845.8530091 111.1194508 1523.015015 2246.446562 496.4494314 359.9989074 4438.677156 1457.12548 807.8293205 626.8566354 92.89551303 724.7669233 1232.26837 1576.606483 895.351006 1311.00981 697.9016399 147.2851276 533.9074488 1559.101834 4.07813e-08 604.052131 1489.774658 465.2766089 256.7849911 2278.363768 1187.884601 3169.934612 714.5732953 3-trans-Caffeoyltormentic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8356.820916 19556.38659 4335.547253 4675.249055 5986.326299 5612.933613 8058.658498 33865.39035 4.07813e-08 4.07813e-08 4.07813e-08 215.1441938 4.07813e-08 4.07813e-08 4.07813e-08 788.2848061 4.07813e-08 4.07813e-08 36083.69847 23081.26664 10066.33379 14213.04536 22445.85807 10145.21449 13609.74479 14971.83775 7335.677597 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 320.4787128 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8234.470203 4.07813e-08 4806.005499 4.07813e-08 1-O-(2R-hydroxy-heneicosanyl)-sn-glycerol 4412.077585 2607.01876 2982.78112 3126.895715 4783.610549 6105.654717 5767.345286 3571.746789 4025.329633 247.0126928 1754.841102 240.4555176 546.7229785 353.3648252 207.4423833 258.4387973 912.8057767 526.4284429 7383.541339 6996.051565 5849.244336 6777.882144 7964.018166 10512.08058 5731.841763 8208.965573 6893.409524 286.6405633 224.6248833 860.5742774 410.9623589 740.7571696 220.0341126 113.5536849 2627.697976 222.0357564 6086.210002 5292.133947 3934.018225 9800.192373 7505.46284 7149.62184 8819.317454 8338.279293 7802.346563 8516.553423 5565.571828 6407.849758 7239.174933 3898.894301 2628.556823 6870.651018 779.0070489 9289.497733 2-(3-Phenylpropyl)tetrahydrofuran 1144.952578 2166.878923 3491.918191 1041.300679 822.4401317 3097.103716 1021.299369 5083.054854 4657.900077 78.18745895 51.89141164 62.81683047 24.77923546 4.07813e-08 183.1644606 34.21777116 145.0018295 318.6023825 7553.566228 3943.399831 5697.425431 2443.64706 2301.59876 598.0268378 780.1689243 304.6474844 225.3383145 28.39153701 71.77461218 72.56149225 147.8890161 4.07813e-08 26.00689892 110.6413148 2.77116295 29.08478913 3304.902701 3107.849969 5535.91654 4250.551745 1411.924836 2129.473222 538.1936587 371.4709895 284.9892161 10258.04536 8209.119553 4542.638147 3832.057846 1432.794146 625.1210895 6157.429926 75.37855523 1795.490873 GANT 61 190.8514325 2257.893028 1433.647625 1306.983827 589.4769852 899.622003 508.096078 995.4398923 82.97127697 20356.8983 61304.61039 72342.26727 15293.00642 304640.7581 253547.3968 364200.9239 876365.6066 88718.76285 639.0508785 667.9388695 475.6743373 783.3643826 1588.895003 2133.071295 1585.656115 2249.439824 2121.167593 171884.953 24598.38987 19133.11907 37150.426 55049.34106 32036.81443 34540.65972 159451.3719 18023.9172 960.8340114 930.4509326 997.2157918 1243.828273 1330.627708 1775.429037 1333.38311 2008.771762 2447.966558 1658.530708 271.2917056 987.4895332 2347.435985 830.8566057 62520.57343 759.016139 16849.58149 5122.149219 1-Phenyl-2-hexanone 1656.094562 1150.994521 1969.822124 673.4840801 628.7580417 2065.520059 394.7178836 1745.10721 1700.400673 801.2700196 398.9335533 7610.658895 687.4364854 9823.195092 7698.048418 3280.230566 9431.299075 7430.299539 1687.705632 778.6022333 1778.895816 1075.232214 661.0278422 544.2979573 548.5830461 510.4745347 619.089802 3714.475134 5165.62625 643.6428207 3782.509178 1424.991165 541.8955104 4729.346 5952.648113 1957.989371 2002.628692 490.9876693 2134.682163 973.174531 664.3320594 740.1364014 798.3949498 475.683432 528.7304137 1912.710357 3926.867334 2139.988031 2466.789571 1058.499393 1605.807796 3055.745268 641.7951928 1431.462633 Leukotriene E4-d5 6641.613607 5637.67809 4365.316421 5716.180183 6932.63287 15441.87414 9484.769841 5468.704255 3186.332754 119.7722904 105.9994044 2341.729479 1173.900699 5319.483642 2977.578036 89.58248754 3464.005687 2001.274866 22770.24355 13725.23009 21550.84885 14254.78554 15976.99048 4363.336951 6454.191671 1959.185605 3264.91238 383.8368736 2780.55918 336.1081598 783.8012356 555.6915122 199.6988946 855.3755126 1912.511054 277.4072733 9201.347064 8422.160949 14363.23232 5918.075027 11362.08822 13034.82111 3299.791411 2028.92811 4542.559272 2760.302496 9501.037217 10945.89002 13348.75403 2273.913999 945.4860255 13189.60678 4.07813e-08 4135.891823 PGB2 12658.99582 8580.957109 9869.308546 11119.03652 8742.44179 14196.65614 15650.7043 9035.957544 5930.052558 2915.684286 2724.408252 652.2364435 2631.713833 1111.997476 894.5608395 1651.428907 1922.803129 745.4166274 19829.39726 19806.17794 14905.11536 17036.70735 18486.20385 22238.40638 16170.59621 15918.65381 16219.47439 1091.20488 2513.685879 2128.603001 1125.327509 4443.627012 1233.809238 1445.016337 1535.632728 322.1676842 16439.88955 19395.17207 18158.61543 16422.75998 18637.62689 16151.30724 21995.25197 14702.75741 19143.77269 13974.39624 10827.1725 17379.04926 11813.26905 7359.741231 2206.114011 14965.02277 2675.211128 14267.28757 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid 20802.48771 7703.824368 18003.74041 25274.29556 20431.45213 24805.07243 12114.5004 5182.466045 8511.698281 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.88539772 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22600.80232 13069.4226 7551.427759 14507.17086 10233.91089 9415.461569 5945.528877 2384.927129 7368.484381 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65.38348928 174.2378663 11001.50856 15114.49844 10828.4074 6213.471654 15021.21345 12263.30086 9553.793073 3696.183826 5438.113482 5715.855423 11550.81342 15881.40391 9324.986737 4648.423014 4.07813e-08 13707.82489 4.07813e-08 6432.956507 Unknown 370 5320.121018 5914.114733 11801.11144 14152.60118 7792.400958 10244.13826 12914.20476 7170.196251 10347.98549 924.9135808 371.9378453 5236.727049 510.2583527 7290.942557 11412.69043 2013.417281 84409.04964 10438.83302 8001.126776 14356.28918 7352.660029 9101.104953 7563.838853 11272.80256 7525.385412 1735.713617 5155.469957 8253.589289 783.263712 815.8549455 926.0405636 482.6317369 579.0303929 491.4270252 28845.66099 5294.308204 6076.046796 7296.691573 3898.490853 10971.32097 10942.99651 6286.690862 9424.375869 1436.978788 4517.606708 14242.03741 9118.408962 13822.07361 4249.843423 3834.852462 4844.658623 7746.54661 5862.726335 7046.08233 Neuromedin N 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 187.0978056 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34644.58736 28668.97685 19644.62994 24686.89353 28053.46271 21377.30617 11241.85242 32269.95322 43303.62539 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15629.45601 21674.39939 22169.01094 20719.4491 32903.55363 15370.8692 15698.5268 11534.6674 16475.62527 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21424.6223 4.07813e-08 45072.40193 4.07813e-08 3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate 3208.509499 2214.899842 4714.913501 10052.45617 7321.696183 6144.15661 4876.871452 3322.206145 2966.916482 1515.230661 1171.606549 1675.720193 1756.637055 2511.781757 741.2177894 1155.625672 1562.901228 2102.296912 7278.645678 7895.223492 7029.828121 11044.93219 19356.1792 8337.94319 13086.80739 4567.550963 7634.310286 120.7631725 1097.300282 1424.524158 603.0193197 1083.470958 296.4053805 274.8721595 287.2593915 215.8943312 4700.710252 5766.690993 6826.492307 13474.8892 12624.91336 13202.86444 9586.86898 4130.81138 10389.80307 8704.899455 5720.887335 5943.17736 7646.918194 5749.547706 794.8070335 9617.179347 1525.901636 6305.183326 PC(O-14:1(1E)/0:0) 2866.208198 3656.152244 3896.581738 6608.314526 3756.955287 968.8593704 1987.584054 1288.268074 4.07813e-08 6384.277586 6539.504342 9942.80967 8524.143498 8354.332463 6270.628721 5390.748469 8341.011374 4253.51453 989.717113 1786.479968 4533.164395 4681.337296 1494.314193 109.9768176 1382.511264 2892.458817 4.07813e-08 7431.993561 7894.826817 8551.304353 6693.001709 9988.179331 7206.250506 8127.467413 5916.897444 6353.182864 5889.822962 419.7892781 5398.062381 4.07813e-08 2451.229814 3266.72089 4.07813e-08 1465.449235 158.9398178 134.698317 165.941178 1129.855283 5244.554485 5825.215711 9934.34782 2631.840624 6049.449857 289.8117189 N-palmitoyl histidine 19458.18559 14690.7445 14161.68039 11918.94746 10134.91189 20081.74848 21264.33349 22080.18303 29426.8823 25181.479 16378.20404 10944.80756 21923.9862 12894.02187 10183.53858 4670.045077 24717.45254 23733.56681 20273.14567 19462.65684 9831.015248 13924.76228 11947.13384 17677.41413 12762.31867 14149.59537 9892.263037 2260.758221 7997.847559 10761.93835 6638.973887 8401.256556 5387.952457 3618.509146 6027.645634 4325.519179 7571.405118 11943.83418 7520.26055 7955.333428 13241.84756 9463.732872 14285.5966 12427.21921 16356.23609 16115.53531 17177.22923 11524.8184 8073.686641 4085.608442 6388.329578 13740.18409 8141.061679 11050.51581 5-Hexyltetrahydro-2-furanoctanoic acid 665.5299349 710.1390975 1304.200634 1007.523563 1056.27606 1293.232203 1051.211329 852.030996 912.0198227 2005.533888 1806.19493 707.0734299 1316.818001 1486.478863 612.1576588 3727.446421 3108.703342 2762.662919 687.2924381 578.1340607 984.3403917 720.4718125 785.7205701 627.8152108 1035.893697 638.6316517 812.1595452 869.7224046 914.2806634 2469.407408 3101.033519 644.0819083 790.6259311 1137.812297 2238.072356 5390.177157 706.9509166 837.3922312 593.6109282 598.4637448 563.2666032 3698.716061 1101.076309 811.9718807 1241.028287 562.1418163 675.5790163 684.8467868 1120.801345 825.91653 382.2962708 675.8986606 5508.570505 1187.224645 Akeboside Ste 5805.292705 44702.69111 12.83613255 791.3430552 1415.186647 6909.022171 2016.377262 10487.83049 13268.41545 208407.9664 40197.65345 168033.89 273818.7167 178820.2216 170648.988 304178.2039 108211.1935 176706.2379 944.9600191 4.07813e-08 312.0924575 149.785754 4.07813e-08 4.07813e-08 498.5890985 4.07813e-08 4.07813e-08 210704.6191 290660.5468 63321.19281 361681.4785 230769.6436 64940.01112 204155.4046 223277.3924 165352.6386 75.89420516 25.37591912 411.4364209 4.07813e-08 68.43327434 2117.212987 4.07813e-08 1135.339582 4.07813e-08 2244.913944 224394.132 59890.77159 159576.6926 32836.40655 203109.0118 47590.58453 85032.33101 67959.00511 2-Butyl-5-methyl-4-propyloxazole 2456.991048 2688.717591 2880.828863 2531.716576 2592.396812 2034.487565 2342.980454 2055.909303 2324.026743 1813.186079 1817.322375 1572.024136 1719.115545 2092.85467 1409.860446 2262.823827 1728.336075 2108.691922 1973.861128 1982.711303 1697.426226 2126.098813 1738.17974 2064.663424 2099.450713 2310.196999 2144.118881 1866.977909 1801.814474 2073.710827 2081.823333 1606.18813 1731.842419 1653.697581 1798.998851 2667.999222 2219.253132 1935.941678 2070.91571 1385.95673 1968.164167 2117.730281 1777.603748 2770.015762 1958.296048 2536.671996 1901.152974 2067.88189 1770.03595 2114.635258 1547.446794 2083.22405 2178.109753 2297.403018 Formetanate 7806.798473 4395.487989 6323.749171 5252.829778 4161.180124 13057.85447 9384.468322 3577.491302 5321.809403 7901.991719 6493.488019 275.0754971 5395.115822 2503.380076 3195.027971 5107.651953 2441.697142 2856.399877 18117.03253 21432.65244 24604.26914 20974.37548 15704.78748 10126.26434 21250.84627 19328.28232 25154.85056 2266.507968 3658.90676 1449.810195 2512.821779 1445.404742 1217.528942 1497.116369 289.0444594 2784.208676 7415.349226 8081.72182 8948.62457 19123.96327 23500.00598 20320.65196 15268.03028 24385.07809 21116.89203 15414.36932 13188.77475 17061.49193 9983.602689 12182.69785 1865.219139 23663.99389 12795.0892 15781.3735 (R)-3-Hydroxydodecanoic acid 10693.64414 10923.63406 13317.80711 14082.49941 16845.70906 9241.356107 8604.356943 9276.912739 6702.453404 9896.089689 9455.474519 7666.414238 11039.22543 12868.20836 8103.380602 15831.65168 8832.143599 11922.70494 525.2561041 663.340538 2726.324457 1444.04785 3310.722635 606.0981352 2440.430504 482.3472945 771.0732617 3309.288113 7098.133709 11684.85874 12987.54889 8250.064913 9473.428696 6912.029614 9917.025485 14400.22199 768.1008431 4.07813e-08 1013.626055 4.07813e-08 1275.557364 1691.18411 4.07813e-08 652.8429412 2918.006044 4517.006377 6632.12957 3885.454813 5577.147375 5713.873431 4123.020695 7316.207012 12349.88074 13200.92486 Penciclovir 27857.19831 18188.58689 14320.21244 12700.17362 9678.102519 9771.872554 14355.60173 19131.19337 16800.47869 8069.936886 6956.217742 1177.822905 9525.320491 5541.51279 4542.206258 2632.051012 2314.564339 11637.82542 11318.63126 7959.749421 10289.87505 8601.897656 11324.06258 8103.981054 13071.96924 11034.68028 12855.28707 3368.42538 3544.708913 4821.449015 4.07813e-08 6357.385496 4606.004454 5034.323962 4.07813e-08 2140.077853 11860.05263 14316.93995 16973.73856 10965.51321 12326.84426 8342.069767 11139.96971 11653.51167 13585.02625 4963.077254 7753.175094 13329.57028 11413.274 14783.80148 10119.8213 10732.42775 2534.994177 10809.95526 4-Fluorophenacetic acid 8458.28385 5315.46035 8550.930019 8209.212209 7909.151957 3487.84239 6693.023437 4528.605319 6974.340153 2456.730868 1943.700704 2439.768803 1602.579118 1915.676479 2353.869352 1717.24763 2157.521983 2392.965811 11244.77989 10368.13451 12354.23203 12388.3522 10619.93617 7532.973956 10715.1178 8518.456255 8224.527316 4089.316691 3333.691122 2675.164938 3729.886332 4056.599812 2807.089383 3339.833032 3531.518081 2217.164773 9406.017799 10647.47194 10771.53281 12179.6857 8802.023795 10983.3623 7489.799261 7461.902108 11278.00047 5127.40802 5364.682023 8120.027537 9894.448019 3930.486616 3386.512834 8101.897197 1682.903859 6911.385512 3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid 14534.49226 16521.12104 25430.68414 40631.709 36173.67644 20461.51472 26169.01897 1644.696715 575.7284808 5871.124354 12138.67941 6563.037239 5535.859099 5955.125077 8023.326442 7179.178022 2724.490887 982.1956334 28751.60317 22497.10145 22132.45051 27701.99569 27946.74911 29426.74878 27846.34582 31586.83584 29528.04653 4.07813e-08 6841.377651 7897.471777 3402.818805 7348.55154 9200.245949 7486.95444 4595.031344 7601.366389 25056.49815 26699.05428 22520.68805 28054.42091 27354.67711 31979.21073 25546.91683 30020.52404 37197.73467 13535.21397 20206.83267 20340.66264 18566.42451 9035.982993 7066.241617 17808.69371 7483.415163 33091.5069 CAY10572 1757.262242 1921.844052 977.9874353 4.07813e-08 124.731997 1048.742599 1787.623719 1389.329911 1954.698512 30551.74456 44035.87036 20219.30459 36374.31312 21668.69093 25023.21693 25202.98164 31691.75683 47524.70723 967.7929794 1093.366846 367.8688573 1580.655389 1274.035657 978.269494 362.3825071 834.1632055 1603.071924 39139.05432 29457.57382 59311.63336 31910.09933 59074.64681 45357.92241 46698.67456 41374.38742 49244.57662 758.2421555 546.8268553 4.07813e-08 835.3962241 227.8230672 581.4451814 97.99583043 972.5630246 1562.214684 4.07813e-08 90.10029715 4.07813e-08 4067.458028 3979.075231 35684.94815 2394.039288 29234.67455 4789.694267 2-N-Undecyltetrahydrothiophene 21064.2698 13303.85444 5568.88311 19180.02555 19330.90976 29997.76726 26253.50853 24592.10594 10787.04083 15.97186924 37.98578483 4.07813e-08 4.07813e-08 16.88420212 16.10175952 152.4727529 57.22608305 4.07813e-08 98615.07813 82913.06553 15307.29404 21190.83495 14171.19896 44897.75259 51540.64062 6912.806233 11311.25417 59.95209636 55.78774885 163.8546288 41.95985569 109.5902473 172.2663283 4.07813e-08 51.52206755 120.5964573 31628.76415 38494.36184 32277.40149 20136.46139 39588.59322 20638.11293 42388.26148 15326.61593 6856.497584 54619.8834 34579.86367 93580.88992 39330.69189 15786.49709 4.07813e-08 69720.84992 261.0340121 42647.17003 CAY10398 17732.69807 19478.39465 3243.348 13020.6817 3268.622248 3601.304468 11828.0582 22152.78212 32032.77677 7935.182765 9073.929469 21543.83913 8083.051115 8512.871881 12802.09452 10110.85124 15902.2301 13183.23446 2277.467985 1409.456358 6544.63175 2739.133242 2512.495069 1316.097987 3173.771924 1669.003085 2347.980157 14491.99486 13803.89336 12112.13686 17145.45793 10932.25113 9086.777901 8952.653571 10610.80401 10697.80095 4387.420874 5881.642685 5075.514215 3086.040414 1888.90348 2106.449695 2524.043734 495.0194535 2510.91246 509.4682308 8828.741437 5200.133872 8677.922456 24957.74057 11830.13701 5312.917564 15886.71916 5543.388526 Boschnialactone 11559.05204 6493.117837 11374.50863 9144.758731 7824.631109 9942.688318 9147.616987 13967.50491 10441.30549 3369.30347 4580.171684 3993.3603 3875.973281 4103.858022 3122.376574 3871.669247 4237.358981 5564.841174 16948.99533 9206.260877 14906.85669 9467.668911 11225.81036 12790.58764 12126.38214 12462.88389 11762.39497 3811.635502 3616.040098 4440.719199 4566.82543 3608.916674 3953.098953 4812.556624 4107.474045 3865.648715 10154.41234 9520.128467 13061.87399 11825.01213 10178.33631 10427.80467 15027.61995 14706.94845 11514.4074 11775.36389 10378.56962 9127.624762 10429.2242 10798.89859 4419.1053 9547.182474 5202.154542 9831.993587 3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole 768.2208376 6578.157549 276.1434683 1269.778762 220.4883437 528.7461015 4.07813e-08 2053.024201 4.07813e-08 8517.889019 7526.381101 3934.946205 8491.409253 3799.557041 4633.162446 2257.522704 4555.582571 4534.496828 1330.856638 1919.901426 1226.878862 979.6049778 1590.571623 1720.660596 1522.956986 1505.643128 1617.754766 5133.799857 6377.695751 7046.966142 4729.158676 6914.565023 5430.404807 12302.58081 3370.581737 5689.673909 9520.964391 1298.929333 603.4821786 1439.039328 1174.973466 1911.370192 1136.264307 1419.912566 1526.996391 1353.372819 945.6374385 1100.883619 2044.049238 4139.740437 8641.282129 3123.499952 8060.600973 1594.315954 Acarbose (M7) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98413.73666 84609.49791 41313.13433 111950.5082 28041.67633 54690.47057 50342.66465 23753.28982 44109.73473 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39332.59021 48949.33961 50611.19825 29280.52043 23312.83485 36028.92413 37148.69876 21368.1684 47265.70519 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 823.4056761 51570.99196 4.07813e-08 47972.08737 4.07813e-08 Butoxycarboxim 1202.036542 1308.21664 1228.391039 752.1446259 745.4633538 440.7268931 794.1860814 917.4470072 1382.878979 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 327.1904901 839.5695748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 125.384557 4.07813e-08 4.07813e-08 4.07813e-08 147.5919299 126.7617581 2192.448242 607.0345565 4.07813e-08 389.7467377 139.6430853 4.07813e-08 91.84981552 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 365.208573 672.0349221 226.9704339 504.7464094 296.1793725 138.9772808 346.5315602 365.5052932 963.987826 S-Allyl-L-cysteine 1024.320548 760.6374558 653.6434836 3943.304421 1137.509349 4007.78682 2872.357562 1706.273333 806.4498334 170.4615836 170.278609 161.2294064 244.2841623 167.3331579 150.950597 139.8796514 126.6927656 220.1657367 2466.235444 2480.250912 1805.973572 3378.525759 3493.229634 7331.588457 3859.175817 2252.992136 3239.840068 134.7146698 201.1119777 255.6586736 165.0882561 131.3094178 140.1472856 176.5761435 144.7567289 166.0667492 1002.32835 2176.745755 1546.715691 3888.975485 3484.901501 2822.920708 6863.401061 2865.997231 2545.424501 4129.581673 1332.374301 3279.423146 1718.705682 1204.520384 146.5871865 2295.831305 210.6186733 2760.028535 5-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-2-methoxy-, (3S-trans)-Phenol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6123.384332 5010.399985 2959.211172 6913.762525 2439.788551 4523.463519 2282.937166 2615.950425 2138.394464 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4214.576732 4234.030217 4008.814971 3217.948669 2780.998403 3108.599852 4450.935357 2041.817913 3237.256787 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5785.175629 4.07813e-08 5753.519475 4.07813e-08 2'-Hydroxyfurano[2'',3'':4',3']chalcone 5890.952035 6882.210476 9258.674685 5853.744803 6361.470387 5215.978047 6964.152184 6101.912799 6457.174785 8024.847889 7651.387319 5967.921351 8906.026931 6633.50763 6763.862985 5319.479978 9435.303825 7450.365266 5515.496819 7170.190897 13245.97078 5623.945513 5745.655289 8231.58039 5121.557411 6729.017827 15781.80613 8643.122005 9310.075071 9215.544447 6780.076717 11139.05964 9023.267657 7533.281092 6015.995331 6978.347995 4363.858435 9424.371039 9865.499772 9467.57148 6650.22648 5301.865835 7213.252608 12180.96356 3220.427913 4798.80528 2358.193394 8713.866053 7526.98894 5873.150658 10003.54411 6596.058981 7587.795066 5780.219171 Hexadecanoic acid, 16-iodo-; omega-Iodohexadecanoic acid; 16-Iodohexadecanoic acid 53.66793329 134.1368829 884.8722783 747.5915329 564.2247146 536.0788095 510.081549 347.8401603 857.5288305 9569.797101 6815.108108 6678.866462 9301.713042 5058.241243 6653.846715 2344.235439 3119.258075 4038.896911 916.0870417 1173.860945 639.8477503 674.6116568 1897.319458 1254.482747 200.5667216 760.8631326 423.3886259 6054.280373 9638.497736 6691.238474 6340.084305 16472.26622 8844.3688 12334.52673 2731.572338 3595.184022 373.4975266 1027.105966 372.9306737 449.6459371 389.8442993 844.4207207 565.2543339 900.4455796 364.6346735 67.56058198 372.456631 177.9739945 425.0123966 231.398951 15690.03485 332.1034921 12713.4357 4.07813e-08 Tribenuron methyl 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2438.725433 17143.01673 928.6847321 1506.196102 3775.986813 1760.199875 3436.498086 8112.75101 109.1592896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6306.641358 8682.060285 14138.5432 3215.220442 26597.08674 13587.27601 6893.464587 9674.825631 132.1615643 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.300721641 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10197.72789 0.000776748 5126.148945 4.07813e-08 6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]oxane-2,3,4,5-tetrol 4.07813e-08 858.3721161 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27.06895498 4.07813e-08 20190.28415 14095.5301 9719.865387 23358.60882 6742.849871 10099.86136 6918.698331 7289.74018 12795.2552 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12914.14179 12649.12981 12122.96299 8324.793774 11810.32322 7353.891719 12117.28789 5931.624581 8883.270216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2086.32408 12514.33831 4.07813e-08 11872.69491 4.07813e-08 4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acetic acid 1244.193712 6833.761121 965.3029363 1231.912568 604.1080895 2172.681946 1416.169189 5069.169701 4888.636195 38881.6646 28185.96962 18717.69484 41336.61797 15403.18329 19439.06659 16597.90942 20987.73372 31393.9164 457.5439122 4.07813e-08 665.3838551 85.25514674 377.5252286 309.0108858 94.57731806 122.2291253 793.7904109 31041.40995 22306.59162 19783.21111 16676.20063 22799.79977 15198.56105 21657.14401 17671.62597 19494.25755 4.07813e-08 432.4233392 600.4393249 446.6262481 4.07813e-08 117.7351072 4.07813e-08 233.6036403 4.07813e-08 282.1860779 374.6868012 4.07813e-08 752.0837033 6791.82493 19958.31551 519.3074979 18702.26655 35.68587593 Diphylloside B 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26502.44285 4.07813e-08 68980.29577 26983.62466 82639.90222 25664.47234 4.07813e-08 4.07813e-08 71172.51911 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40384.46364 4.07813e-08 23460.63078 4.07813e-08 4.07813e-08 17852.11734 4.07813e-08 19379.5168 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15737.86362 4.07813e-08 8368.535539 4.07813e-08 4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45759.52034 33245.47972 24829.60343 44300.76412 18291.15421 23978.20791 11823.72914 11464.69642 30090.19074 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30454.7252 30024.64756 25254.07488 20403.5896 37195.80804 30588.05962 39138.517 11417.54233 20912.73824 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 460.0006931 41848.4901 4.07813e-08 34283.96229 4.07813e-08 (2-trans,6-trans)-farnesal 2538.799151 3083.739006 6718.810487 4531.5918 5170.51814 13389.4273 8417.160696 6715.607351 7339.008714 699.075829 660.2740142 446.267727 422.9367085 361.4690899 688.8798534 1170.606225 976.8980845 657.865721 5512.967152 12356.98658 8651.895396 8871.363618 8594.851427 12802.77964 7604.9682 4112.193394 1638.6352 452.2799404 569.6642533 1118.597318 941.5367389 716.1688878 632.4022014 817.5635797 526.4608307 463.976695 5849.549207 5132.811803 5211.301344 7157.185728 10700.34494 4436.642204 9968.954186 3572.631272 1137.963435 19709.88337 10665.61136 13899.26836 6701.988497 5555.058677 3679.409463 8105.182858 1588.506153 6895.109214 Araliasaponin I 4.07813e-08 4.07813e-08 4.07813e-08 1307.233769 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43797.76688 32527.7875 18557.36938 31124.02381 18708.52974 17609.62562 10174.50978 27868.61173 28882.79934 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9370.913447 17652.54454 17132.06202 16438.67844 21639.34083 15370.70407 11438.98169 7018.069409 11429.40009 4.07813e-08 5.914698347 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 724.5349662 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1794.033737 4.07813e-08 14020.80679 4.07813e-08 34868.82983 4.07813e-08 5,6-DHET 7344.107023 5100.794326 8729.11901 10445.84381 8522.274067 18053.46369 8924.139117 5812.351635 5904.339367 2924.78248 1562.956756 1281.335368 2944.330306 1088.318383 1591.800111 1230.826373 1319.267252 1369.470793 12410.52622 10417.67184 7103.484689 10741.78936 11869.26966 17622.63527 6836.585231 9577.178707 8902.195359 1086.943726 1939.473874 2124.018781 2911.854035 1977.097529 2553.618171 1656.080364 2576.431169 1692.793121 11629.94313 8807.298599 6691.622963 9119.395502 11810.60043 9085.907588 15446.09916 9551.337353 8504.716344 10018.59483 9437.538464 7812.630651 6099.346361 3782.811881 2331.931716 7199.595611 3830.997776 7739.116555 Shiromodiol diacetate 4533.441723 3616.51053 4415.177067 3893.492024 4586.797555 3274.552856 4410.920086 2983.966234 3981.603806 2418.745361 2031.760516 1708.181119 3042.452301 2288.684011 1863.840672 1020.76495 970.8014511 2260.156501 1704.742029 2367.465901 2372.34865 1240.428128 1580.773664 1210.501614 2380.260477 2294.077502 2065.054142 2125.621888 3116.177455 2756.942824 3152.610469 3233.237072 1689.836493 2017.977175 1831.317827 1957.393191 3303.625544 2866.149636 3952.339872 2578.81785 896.2779742 3000.268258 936.6246906 3411.617373 2189.75278 2653.408832 3592.580619 2744.844732 2508.825166 3148.396397 1823.795752 2713.710489 3242.054398 2962.09284 17-Hydroxymethylethisterone 7954.946391 6051.675913 7157.911033 4768.711787 4217.339235 10360.15473 9694.791518 4987.428989 4930.654855 3029.695222 1863.587143 253.4749086 3875.561072 567.5493363 739.2416158 116.4470647 910.8521709 330.9759737 13391.22607 13512.61636 9730.921159 9878.023493 12811.99757 17951.30007 9907.028236 10725.24828 9410.528138 1380.703762 2359.920575 168.1380573 1689.463383 3225.170614 805.8051574 1206.772619 437.2309316 327.2009719 6843.195718 11204.55846 7895.596946 10016.58746 13285.75099 9308.074504 17861.81646 11087.57422 14117.50383 11537.63983 9578.146369 9945.48014 6129.532704 3406.439937 2405.637503 8770.436608 3491.498511 10373.47129 27-Hydroxyisomangiferolic acid 988.0537865 4.07813e-08 761.9313821 52997.73847 2864.271737 16169.56057 9362.466783 4.07813e-08 698.3480591 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3327.703832 4.07813e-08 6886.612048 4175.994053 1781.134256 45180.06053 7583.506377 39098.60696 10105.31776 784.2989162 4883.648627 4.07813e-08 4.07813e-08 317.2983286 263.4674993 4.07813e-08 4.07813e-08 4.07813e-08 168.8447655 4.07813e-08 2731.371117 563.5846383 146.2405302 22174.21601 47596.153 6435.547637 33974.81412 913.6963456 1879.546441 3903.274265 3363.968691 10432.76313 5058.024972 4.07813e-08 4.07813e-08 1665.938466 155.360968 2578.938722 (E)-7-Tetradecene 2202.240363 1867.213936 1712.291343 1822.790284 2319.040279 1511.638399 1407.49631 1933.561738 1737.321179 1168.731163 1197.57282 1331.10053 1312.917664 1328.544705 1133.993922 1380.967043 1140.45008 1833.607528 1177.138833 1418.082678 1202.135734 1572.587826 1181.113657 1058.642822 1523.367671 1515.373969 1281.186715 1522.438617 1585.901878 1297.011416 1385.670968 1171.153757 1331.498477 1247.909004 1829.860856 1583.647451 1466.295942 1402.784269 1327.047164 1092.121561 1083.976103 1150.773518 1295.548469 1548.276057 1209.603809 1399.06705 1535.516028 988.4633204 1644.882931 1627.983492 1070.922243 1535.885042 1554.399711 1996.090933 17a,21-Dihydroxy-5b-pregnane-3,11,20-trione 4492.369334 6753.203902 7216.672036 7287.874438 5153.497489 9580.744134 10433.15008 1454.909112 10644.17424 4.07813e-08 4.07813e-08 318.6006152 173.3122777 209.3044633 684.9286235 4.07813e-08 531.5581447 84.45806032 6981.751726 7430.583985 9162.950488 13620.44998 8451.81217 6290.122995 8016.544688 679.5936003 1570.474285 4.07813e-08 105.8915239 80.76018361 239.0519582 157.6999015 4.07813e-08 163.8600099 0.421904005 873.7552816 8041.821717 8724.755544 10102.96842 6353.814072 10939.75275 9800.651558 5647.304081 1353.2096 1197.82168 7215.976403 10299.74523 13847.98024 6697.769989 5528.258785 2585.249484 10165.37086 4.07813e-08 2377.787681 12alpha-Hydroxy-13,18-dehydroparain 1513.783793 1468.615012 1679.046531 146.4449166 885.4164231 2454.278881 2701.679778 2876.242937 2079.344777 1135.498412 264.7018711 4.07813e-08 699.862556 4.07813e-08 520.6627405 4.07813e-08 1329.6564 717.9677987 3595.630701 4424.221411 4845.341571 4002.324017 4133.205211 3255.02647 3801.279367 3107.406552 2555.822659 1426.64921 1487.768417 432.755324 1828.768848 1873.725167 97.24376664 1152.048174 927.2384889 604.4727326 3576.852445 3009.211145 4728.584388 3136.229967 5657.800459 4316.931909 3130.339808 4631.311651 3019.290384 4117.841564 3338.253118 3603.075206 5426.905737 2321.811818 1742.463648 4520.103175 1764.484446 2211.261568 Dihydrocapsiate 21817.02125 22247.07666 22566.17498 21052.32729 23213.0666 22175.32976 19075.55353 16352.49227 20647.93208 16226.45389 17143.13605 11162.69775 17540.66247 11504.22658 16461.45019 13472.88323 12064.91982 13088.40389 21667.93419 25015.91142 22229.83129 22385.50422 22728.67235 21235.12637 21240.39294 24959.94799 20402.43484 8377.915277 11610.9604 13955.20671 12140.60272 12118.23771 12111.50881 11247.63382 13144.64144 13126.05866 20862.95245 20943.29099 18565.88877 17325.48737 21462.87516 21623.63982 21603.91894 21734.52812 24931.24354 20362.25255 17951.48739 17870.09594 16591.51458 14575.86202 12296.93379 20781.54423 14507.20072 17257.80409 Perulactone B 4.07813e-08 4.07813e-08 710.255817 4.07813e-08 4.07813e-08 1945.088646 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6643.797683 1661.487686 7412.664653 5190.466521 5107.317302 9620.611401 5052.828013 877.0064447 5355.021667 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 184.9416404 4.07813e-08 4.07813e-08 262.4947204 200.7934417 3416.567104 5419.265483 2955.945565 11152.9592 9881.864651 545.1983059 25562.20325 13629.45365 2997.917683 556.0536567 222.5279034 4.07813e-08 4.07813e-08 1503.242353 4.07813e-08 4.07813e-08 7Z,10Z,13Z-hexadecatrienoic acid 10144.51822 6856.049296 7264.038163 8004.519327 7900.114602 6197.543642 6150.659108 7458.501411 6701.623942 5127.018536 3702.190901 3798.185536 4709.554991 5279.140114 3655.110582 6154.273425 5924.114895 5079.088529 6488.356163 5758.019396 4110.801572 5958.9716 5683.042083 6371.671693 6642.503651 5150.603673 8717.935665 4650.63061 6011.776328 6558.700058 6593.529509 4172.629762 4822.455636 3651.811958 7145.874133 7313.218497 6604.940647 5586.530194 6283.287199 4415.80783 5088.088015 4664.070542 4846.349159 8345.654715 6666.720552 5411.910655 6658.361619 5698.096661 5250.938331 6534.005934 5598.906137 6122.001093 5001.298034 7602.462886 Norselic acid D 537.5454128 2360.443957 4459.924294 3955.86003 2961.034831 5067.07673 3807.247149 2890.452281 5850.974621 3286.9498 6206.082542 3791.948537 1788.188878 12698.53507 5937.000058 5006.043774 25969.12211 6680.443841 10074.87755 6419.628833 1810.273299 3265.615167 3518.156531 7832.033929 2470.914304 7092.906922 3734.780607 1031.916142 290.0400375 1707.304804 653.9462816 3803.331093 492.9177764 649.3050207 2536.876645 1060.039994 769.8154146 2867.884714 483.1097385 3518.407937 3485.413541 836.2094205 5131.661224 4899.666348 3575.193868 6908.313035 15960.06214 2973.08564 774.1900537 169.0791925 4424.021078 3709.813 3204.57519 3659.342419 Ginsenoyne J 2579.450519 5661.508996 9230.068639 8594.606346 8183.526844 15088.84059 10753.38665 10675.6545 11451.33113 1292.272547 1410.342643 1245.685488 1284.5158 1169.029228 1119.83088 1516.484531 1030.103589 1530.009833 12219.9276 10441.43621 8624.662307 8036.24119 6653.025732 8911.715902 7025.47269 6283.958749 2526.739556 1234.413239 1376.154694 1515.202275 1463.364908 1350.062526 1148.469886 1333.906608 1191.451136 1674.81129 8590.453112 4104.780482 7417.188575 5076.090971 8845.877637 5247.849939 6709.807716 5387.128156 1912.026594 26890.7999 22189.87827 16510.78096 7756.709551 4725.568524 1603.672938 14782.63511 1693.154624 11056.3123 5beta-1,3,7(11)-Eudesmatrien-8-one 682.6075492 84.53807288 459.6241196 297.8666458 97.04897486 2596.416933 1566.145301 87.79287572 4.07813e-08 4.07813e-08 96.3513414 204.886827 69.42108467 84.75062679 4.07813e-08 198.0070154 4.07813e-08 4.07813e-08 974.2609537 715.7842343 1515.473577 1528.271635 2202.017643 2856.045411 885.9846284 1063.485445 1553.969321 4.07813e-08 4.07813e-08 134.0399614 91.23599873 320.625579 93.77752211 92.48722455 122.4939752 53.21811508 1727.621646 557.9552382 1184.582506 1219.291164 843.3266507 1310.310281 1732.717453 593.9787038 573.5418893 379.8098397 617.2689549 1524.944826 1559.084558 817.7945789 582.0443135 1015.72214 146.9137933 667.4093047 Menthol propylene glycol carbonate 4.07813e-08 15665.99162 20844.15237 14884.04205 8765.974259 22763.31765 2910.040572 24175.29231 17387.90472 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 188.0993944 3721.68887 19665.00863 7868.41421 10044.40471 495.1088197 4.07813e-08 4.07813e-08 370.7772728 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.691408116 4.07813e-08 4.07813e-08 1223.230956 33355.11485 9011.854729 3082.781034 5621.127805 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2725.298611 3258.768772 18733.16492 3783.318558 2332.434702 4.07813e-08 8591.435112 4.07813e-08 8924.556728 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol 1386.520509 3660.478175 5371.798977 12071.99729 2515.876897 14938.52032 12223.28777 822.224275 1825.001194 6845.795372 920.2078743 17950.77838 4925.79175 12163.00806 32435.79249 6112.380347 34904.78079 15358.02857 6098.321295 4765.739995 8681.790494 16837.22438 9193.475828 10700.50178 9147.31892 4694.427233 1815.108946 173.4362277 4853.067176 5751.728318 32071.36889 6190.107195 2500.113158 21337.30453 6928.967606 4227.697232 4650.086038 4970.65369 7917.869708 7558.821289 15699.5912 6810.008063 9695.178921 4516.222267 1512.309516 4907.40319 10346.31166 10445.72903 6550.100999 2291.869704 9476.077919 10492.26502 9922.287881 2511.306613 7-Ethyl-5,6-dihydro-1,4-dimethylazulene 1863.87833 1815.929863 1709.037323 1738.950971 1549.427796 1950.720338 1425.217661 1578.970889 1174.084274 1064.849026 872.4643456 975.7386541 1105.553306 1083.727585 1063.582459 1001.512615 805.9564518 1037.948908 1293.695381 1196.587515 1399.670982 1218.661563 1180.860135 1640.841947 1086.102077 1491.58996 1150.596353 1007.4015 1179.850507 1446.663591 1303.22593 1340.551775 1055.345481 746.714297 915.839848 1509.542881 1463.268367 1164.645511 1118.002736 1149.128127 1113.66238 1130.683921 1576.777542 1543.506479 1290.97046 1551.836758 1454.153194 1298.350043 1357.745078 1263.800787 919.7001836 1342.82938 1432.740445 1634.238826 Glyodin 3888.968161 3772.502889 2998.564284 4168.88196 3628.520093 2716.434766 3239.679359 4175.331008 3979.91653 2830.235566 2402.736091 2252.424952 2600.158291 2310.125902 2083.547791 3027.974792 3094.216904 3028.527351 2565.914241 2676.945769 2200.044716 2494.850448 2132.844924 2718.776386 2805.848182 3203.998238 2283.358782 2364.001032 2466.980203 2373.072238 2649.120921 2747.197302 2549.825924 2400.40633 2738.589596 3051.953459 2608.681887 2288.025309 2792.766758 2094.491782 2037.810819 2583.252949 2447.074033 3203.036098 3066.01813 2671.023288 2438.727528 2295.445591 2593.778494 2737.689505 1892.358213 2767.21175 2776.992045 2878.320427 1-Phenyl-5-heptene-1,3-diyne 1139.605402 1224.046172 1132.793678 1426.001247 1131.084644 1264.714866 1248.300476 728.9559184 768.6324017 743.8272846 843.3822743 699.6221764 781.5498386 1054.246418 789.1157242 616.6237575 658.4008614 561.5139653 823.107014 723.337267 1094.612683 754.5530914 596.4517217 1040.004435 645.6503554 994.22215 859.6078023 739.8179319 846.1231471 754.1606334 1041.491319 853.0990381 587.6161668 385.7541359 904.5326567 1079.297192 1126.34548 670.2900127 972.5777753 530.5955455 510.6701406 653.6494798 763.6753003 890.9040355 775.3434371 1006.828354 1200.68207 1157.882283 564.9241513 486.0286129 961.6326272 812.4651524 1092.629293 1132.356002 4,8,12,16-Tetramethylheptadecan-4-olide 2413.599332 2918.783553 3023.864142 3787.215094 2851.026178 2718.172991 2553.621379 3021.727194 2456.649309 2151.123264 2230.279789 1861.814688 2356.922453 2441.737727 1469.987522 2532.321502 1960.634203 2556.747621 2346.266031 2254.510269 2004.08769 2029.725284 1708.793533 2377.456685 2519.145477 2126.33125 2421.970818 2247.864974 2474.07735 2267.558189 2174.009707 2273.769391 1795.492438 1944.285786 2170.917543 2809.537105 2196.786843 2264.823418 2166.053152 1756.577888 1451.128599 2976.746966 1801.17942 2618.03386 2346.560158 1980.911494 2072.994089 2036.501894 1790.921337 2582.539259 2062.658987 2674.935396 2216.350617 3446.13086 Ethyl oleate 2744.750001 2552.418538 2380.789712 2091.237711 2324.75806 2025.861212 2362.613277 3057.613749 2013.459326 1821.493621 1667.010071 1553.539343 1567.398773 1690.00353 1549.152166 2133.987842 1257.26228 1837.394445 1794.444168 1891.353704 1556.980429 1444.743159 1551.184405 1714.059143 1746.575065 2450.528091 1863.430722 1160.442624 1829.631492 1738.114435 1851.203457 1971.259336 1602.302229 1462.391878 1979.050717 1675.363476 1684.373987 1460.868515 1880.633862 1237.177558 1484.498026 1728.579328 1909.294671 2363.69175 2049.878865 2074.656598 1629.680966 1508.591901 2949.411405 2611.550782 1304.670576 2057.098038 2307.232993 2190.326414 Momordol 2806.407176 2481.500324 2256.040284 2348.675575 2410.785087 3116.804803 1730.987833 2636.016041 1980.023435 1063.582915 938.4002153 1526.022848 2354.789698 1490.386286 838.8527415 1314.898232 705.1083378 1420.597612 1155.412292 1472.814659 1872.180578 1857.690984 1330.930844 1754.432096 1586.939666 1997.147764 1689.224881 1195.131634 1507.583385 2670.353468 1787.752575 1617.806559 1208.275154 1690.529174 1769.383031 1404.230388 2448.567639 1956.369144 1566.389347 1719.684125 401.97925 1510.599112 1656.955331 1763.121859 1896.961152 2145.297394 1473.349875 1468.234265 1362.107682 1741.202264 1100.234121 1887.893229 2427.736729 1458.880819 2-METHOXY-5 (6)EPOXY-TETRAHYDROCARYOPHYLLENE 13782.78153 12607.70537 12700.25196 11875.93594 11165.1295 9137.746492 9532.679213 13661.96798 10745.25788 8155.524719 7414.236607 7582.135487 8109.515657 7469.021279 6304.946874 9119.349761 7357.101899 9967.954006 8109.491447 7812.543299 7305.361374 7834.359751 6569.809103 7315.812876 10330.26642 10562.63344 10654.3123 6569.950475 7380.399928 9574.814345 8508.02728 8379.593542 8579.589128 8511.249777 9225.173713 8640.454526 9502.303751 7524.950768 8098.622833 6330.959602 7659.130957 8264.730642 8089.808604 10140.85899 8760.752454 9175.961248 8525.301622 8675.263776 10575.3302 8184.210101 7381.371458 8144.833751 9908.889526 10236.02314 20-Hydroxyeicosatetraenoic acid 4.07813e-08 4.07813e-08 4.07813e-08 178.847957 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11462.04579 11045.3694 2038.603197 4423.402664 8207.11189 174.8712578 21582.33772 3527.168307 503.1345136 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3017.833111 3257.462191 3461.744608 748.5937612 4.07813e-08 4.07813e-08 1502.406312 3559.290842 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 104.5895034 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22930.38599 4.07813e-08 ethyl hexadecanoate 22168.62039 20137.20419 23837.5438 23508.64873 21236.01325 20110.33467 21886.29615 19658.3786 18850.0219 15539.01317 13578.10533 14403.47817 14695.70685 15020.38868 12425.32231 18915.2351 12677.28267 15756.55645 13986.16546 15749.25523 15115.98562 14820.6014 13986.74299 14858.04406 13670.31413 18255.17825 16590.03697 13453.16269 16174.44565 17105.68545 16292.4675 15477.41874 15811.95655 12156.46796 14931.27578 16961.3038 18876.93334 14464.97444 16772.75166 14876.86705 12119.67355 14689.59587 16021.68934 17995.77999 15690.65276 18279.71226 17841.02976 15668.0184 15930.47777 16645.49619 12626.47184 16934.03338 16193.01183 18558.42955 Diphenylamine 166412.4925 161532.8522 155355.827 155538.8852 151840.6108 126384.8952 133828.891 144721.4486 149908.6311 102684.8562 97848.52478 94168.4359 99429.15253 102043.6368 84060.70622 122537.0776 95300.07521 112434.0161 104879.4602 109933.7355 102594.4158 104220.6018 100079.1814 101591.5815 119183.7179 133413.581 123728.0041 92404.82294 108995.5028 114459.2658 113523.3802 101931.6758 102607.2258 96389.86947 115366.7573 122040.6928 126441.0481 106200.6798 109183.5103 97539.22949 98129.15052 108302.3979 107696.7277 135538.3584 120138.7467 125563.8325 117593.8891 110345.1724 119898.4634 119438.9963 93740.26104 124391.1925 124064.5647 142468.1855 Metaxalone 5859.525223 3487.958184 7844.186872 7830.708485 6378.150676 4224.603098 4152.635761 3191.749168 2061.828435 4.07813e-08 4.07813e-08 4.07813e-08 166.8832346 4.07813e-08 77.02968301 4.07813e-08 4.07813e-08 4.07813e-08 12971.36795 16177.61532 11827.24903 10805.68046 13129.61327 12168.34525 14366.96989 18237.1143 13910.38494 105.3483679 4.07813e-08 187.9942996 107.3368887 4.07813e-08 4.07813e-08 1468.869418 4.07813e-08 4.07813e-08 11788.3939 10972.78319 8147.304515 19424.07019 9137.591254 13762.12704 11569.49877 18696.9088 14519.44413 7447.654097 6080.530291 4418.165462 3349.665008 2236.258193 4.07813e-08 3848.579305 267.9915825 8249.485711 Alkhanol 1313.844256 379.142579 773.2615755 594.9427118 644.035704 1072.647216 2516.988512 2412.509549 1362.395217 393.7967837 259.4081683 422.1207635 657.2848877 4.07813e-08 14.72426405 4.07813e-08 72.15927141 205.8657922 2154.454441 7408.264128 840.5479409 2608.637242 6908.947203 9104.687958 5740.192518 4367.546992 6491.096505 305.4419393 143.8196495 72.54258486 267.7098141 3120.124135 1967.06793 125.8210906 4.07813e-08 2107.582943 2863.675583 3982.922583 819.369924 2380.652752 3703.587358 4817.377987 7400.194658 4338.049208 6075.840928 6625.584954 4226.43226 2548.257399 1157.690506 242.8179018 544.4352914 1444.092654 237.8381152 6253.264448 Cysteinyl-Arginine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4037.275523 2013.359725 3813.865817 3753.58292 4098.944957 2786.299522 2284.849262 2700.279804 4815.211287 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.53770978 4.07813e-08 3753.756728 3291.20282 4495.941355 3319.048861 4796.702148 5202.136995 5116.05143 2979.945674 3762.950433 101.9742473 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5797.685204 4.07813e-08 2908.383068 4.07813e-08 (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside 6111.963322 12193.89742 3459.140895 7026.393616 1985.799051 7554.127016 10245.61286 15969.20529 16192.44535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 92.40620244 5874.371546 97.27567382 388.2610505 106.4003369 4.07813e-08 283.2146236 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1651.644305 4064.498429 1231.438571 4.07813e-08 99.70745766 118.1079779 277.7220974 4.07813e-08 4.07813e-08 3377.458528 3019.114577 8175.855523 10395.04595 4.07813e-08 3806.94981 4.07813e-08 3108.073582 3-PRENYL-4-HYDROXYACETOPHENONE 218.2263266 37.83955373 4.07813e-08 106.8651435 454.9315219 512.8815752 1062.235021 369.2783882 390.1285839 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 294.4035976 1541.893215 4.07813e-08 353.842324 1964.040113 3593.090212 2316.978817 1418.700158 2913.307069 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 620.8716612 379.7137073 4.07813e-08 410.9494773 1048.789822 984.7932406 3857.717338 1396.47902 1619.420209 2251.879318 979.742074 677.2866291 172.4302709 144.9548539 4.07813e-08 75.58377035 4.07813e-08 2145.53072 Cepharadione A 2909.483714 2170.769285 3125.196999 2489.000929 2724.465336 2958.85813 2940.636055 3276.386783 1703.124648 4.07813e-08 71.96327964 58.10961762 59.09246304 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 61.33095079 3954.722995 4143.461095 4243.390216 3835.772129 4900.582476 4433.888556 4360.5954 5959.649067 5717.05 67.87713067 64.7053125 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79.91755457 4.07813e-08 4.07813e-08 3245.305327 3756.263256 3520.15445 4130.599993 4635.693317 4893.671162 4263.93189 5623.579809 6220.459717 3591.733595 2549.360895 3203.765743 2813.896455 2794.839386 60.27909117 3405.578295 4.07813e-08 3660.305109 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6391.429088 4661.250425 12224.68181 6865.04226 2504.164165 928.4757234 3461.295511 15277.25721 15541.4584 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8610.270501 14891.65128 28201.55139 3104.309836 7746.226426 11156.40325 14867.10462 17478.30575 23207.59018 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13919.8751 4.07813e-08 13885.60798 4.07813e-08 PS-6 10180.81909 14179.54527 4623.273573 9091.039412 2655.638156 5092.493137 10145.11778 13314.19173 18434.27193 8759.120525 9562.324106 7015.309756 6401.882686 4956.919194 16017.99408 12178.90362 9130.773466 6519.323054 1200.108958 2170.740828 4585.451434 685.347018 1363.057952 1810.131309 2054.246425 2334.562502 1777.88822 6128.642708 10447.16615 7247.559407 9973.729426 8590.069165 9023.868397 11160.54237 9087.747229 5900.553051 2504.225666 3369.311856 2972.408644 3154.797406 1140.523849 772.5142902 1551.413275 2007.569925 404.9695024 1096.086345 4314.451315 2344.808459 6230.907055 11010.75503 6341.853947 1709.06075 4719.981987 1988.553879 Mephenytoin 2057.948359 1193.421225 2923.892069 1716.674688 1990.272799 2904.105183 2560.0619 3647.25067 2557.454177 4.07813e-08 4.07813e-08 4.07813e-08 57.61621333 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4410.648328 5182.701334 2978.030369 3764.732805 3508.38941 2856.348056 3304.868673 4825.114072 3913.80879 91.76253712 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.59846818 4.07813e-08 2581.724907 4557.636657 2745.895568 2883.390472 3643.997502 4291.932861 3035.627296 4407.625946 3140.612714 5093.709023 3874.33623 4801.422579 3284.057226 2492.968935 4.07813e-08 3735.168459 4.07813e-08 3000.699059 Domesticoside 399.2587977 548.5614643 110.8399683 727.2822768 91.73657098 14.92823042 185.7003676 137.7336431 393.9176808 442.64261 448.2656446 499.8577858 715.8132263 700.9306405 131.285812 430.1993754 115.0157469 636.0425784 5785.152613 3107.742473 5953.847254 8389.314149 4141.591033 4.07813e-08 5483.431682 3319.189569 4.07813e-08 342.9489637 533.5112993 970.410973 330.4147897 2512.802174 905.6949148 516.3746929 357.9106956 694.1607159 7183.866429 3889.773541 8798.068823 233.7929993 7329.640859 11353.89009 4.07813e-08 5138.22531 6588.694231 4.07813e-08 0.122771681 1417.626037 5795.096541 2693.383913 3406.661174 1135.143457 2382.981603 502.2811671 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-hydroxy-9-methoxy- 1798.463977 860.2225164 1054.099543 320.9180531 556.627464 706.9991923 410.5383704 83.44890155 211.7151659 172.35389 474.0412812 63.98078415 654.6545765 4.07813e-08 127.8891406 4.07813e-08 4.07813e-08 4.07813e-08 4826.514492 4590.544726 3818.413084 3567.421314 4966.205566 4173.842897 3867.128661 4579.966651 5379.954906 1300.692268 1016.427205 4.07813e-08 1282.477462 1851.127416 535.0849799 2099.209871 4.07813e-08 4.07813e-08 2868.511634 3459.136851 2500.587707 4204.794789 3688.539772 3680.236816 4054.111382 5137.596568 6598.142452 2409.058388 2749.975879 2889.342188 2546.992554 2709.132453 2106.672835 2416.096844 3115.924298 3216.887888 Xylostasin 4.07813e-08 366.6856542 336.7073604 950.4295021 163.1819527 169.9832855 185.4064039 652.0691488 999.7461813 1197.602243 961.2799634 785.6357394 1950.46973 1538.492511 18947.34384 12140.90439 379.600432 19632.57269 4.07813e-08 14.43339822 4.07813e-08 4.07813e-08 4.07813e-08 162.0317857 4.07813e-08 228.5573562 51.59444722 51006.11399 31353.58803 72432.39914 111934.4946 54580.03307 10451.54492 32466.27304 24922.83302 28940.14928 238.8792541 67.04569787 4.07813e-08 9.760157086 119.7945488 130.9704092 38.26709993 129.4052946 4.07813e-08 4.07813e-08 35.51524124 136.7830581 1487.925603 229.067014 35526.13673 528.9273296 36898.06555 1.431358356 M-toluic Acid 12115.84128 11662.92615 11910.62112 11680.26528 11736.74541 10171.19891 11016.32881 10810.55552 10676.5855 6699.424497 6114.027688 6041.072345 6951.755298 6205.681025 4810.735193 6997.850225 5432.872128 6478.601395 10004.64516 10297.62585 8895.540638 9946.809001 9509.358983 9629.828388 10342.25658 12469.60767 11172.92337 5755.623031 6129.255481 6953.00683 6250.202346 6868.288615 7076.753242 5957.824484 6899.443941 7405.527912 10432.65856 9989.024706 9885.91995 9713.336927 9094.274177 10150.28862 10235.29273 12841.47694 11980.17864 11658.27373 9063.781785 9579.515263 9566.316814 9563.459085 5779.492522 10161.53876 7666.666903 12053.15134 Dicrotophos 1096.266233 1153.539381 1850.423061 3331.068569 4050.518413 2214.880635 1510.655985 904.5946862 1046.928604 443.9188604 777.0098578 1629.247864 325.7283032 1752.834338 465.5800635 1128.333755 426.9930811 433.4939334 1083.359902 1578.513436 1524.284204 1299.408467 2356.140148 1410.899996 1452.873059 1607.893238 1928.132096 440.8337171 745.0486529 1968.206403 540.370937 912.3215963 1387.212559 839.7022885 1093.840424 1799.369613 952.3119275 1260.665697 1236.66623 1505.913045 1125.38804 1850.453846 1597.493624 1709.166006 1857.467313 1316.018757 1662.755188 1379.129329 1136.424668 1251.559129 942.0056665 1601.143958 408.8297426 1503.989476 3-Amino-6H-dibenzo[b,d]pyran-6-one 6971.479387 4983.44176 6354.910823 5468.667867 5726.908158 6124.505593 5551.099877 5163.713247 4733.569649 2005.286137 1494.53869 1559.127026 1542.602428 1721.021636 1162.725847 1015.354464 1827.319612 1355.887266 5408.294134 5523.752202 5299.726242 6417.011995 6873.650208 5680.995059 5832.060011 6991.877969 6522.061487 950.8526103 985.5798618 1788.937225 896.3586431 2542.024769 1922.76995 1307.453969 1263.949545 1074.4548 3952.847518 5096.373442 4862.738839 5440.514598 5662.865687 5664.591086 6332.796522 7308.438276 7305.316134 5348.057074 3912.616637 4700.408649 3836.559383 3445.146188 1557.872679 4744.974948 1533.553639 6184.736979 Gibberellin A105 332.5391714 994.4854561 436.7467296 529.0153167 651.3201203 175.0516745 464.5693637 4.07813e-08 4.07813e-08 6013.599803 4714.658881 4720.725421 5815.141244 4539.291078 1887.946862 2771.273035 1828.608303 3686.082147 483.3122495 111.8042446 382.6970122 4.07813e-08 109.0811134 212.2126009 4.07813e-08 4.07813e-08 4.07813e-08 4050.112702 4507.835268 5302.171274 2910.817375 3945.872226 3414.357089 3976.585831 3317.460883 4609.745761 215.6415429 137.1537882 145.2519566 149.8100553 4.07813e-08 4.07813e-08 4.07813e-08 211.4126167 889.5298404 399.8269703 144.5078287 137.105861 387.4462895 703.4620562 3578.090522 4.07813e-08 3474.780926 415.9521164 AG-123 250.6907653 1102.017546 881.8693986 696.5274332 769.5834948 610.6015414 807.2038033 357.0824666 714.8868647 5086.941696 6949.540757 10423.75836 6111.56699 11080.98531 8639.794385 8218.171053 4178.892768 7491.255454 4.07813e-08 4.07813e-08 4.07813e-08 736.3343543 494.1052068 123.091161 277.7747276 141.3033904 368.7813461 5829.184887 6053.654826 13109.45401 3988.732844 6733.727702 11630.616 7844.773402 8718.002766 10800.18886 455.257329 652.9413536 449.1633322 417.0511015 339.420488 117.7080867 193.4436193 4.07813e-08 108.1542909 127.5916229 110.429061 683.8284049 695.2157288 104.1112848 7604.838684 122.1143418 5388.730879 283.9398233 Pterosin N 3726.548354 3207.606825 3445.59871 5664.007269 4780.489999 3310.182485 4070.241067 2480.576346 2481.346564 549.8460902 1062.046854 509.290019 813.090433 738.0151515 865.5529332 848.4916259 615.7070038 550.9778101 4781.230228 4308.488382 5147.150768 4460.810047 4771.357622 4761.006397 3063.519829 5224.588924 4568.311864 386.5635784 723.9745624 1040.394635 516.3568665 796.407224 778.1505601 376.820843 285.4745893 621.9565049 2662.611452 3956.914302 2995.778337 4499.663398 4458.216305 4497.116276 4837.962411 5112.820978 6063.757292 4641.258247 3342.355757 3322.693072 2717.049654 2741.57497 945.4670653 2901.003075 545.0816677 3452.622297 Dihydroferuloylglycine 2760.197448 2175.401123 2129.598961 2151.762868 2301.704565 2303.04664 2549.177553 2131.056152 1498.671389 1047.682675 782.2106716 1158.59293 849.3145756 620.6350697 421.6360054 508.5479826 620.4044448 469.7622826 2990.060086 4361.079183 801.8662118 2705.999359 4867.618078 5408.972327 3966.514561 3889.261547 5437.897137 80.23324082 220.5516861 517.1679334 97.08022754 526.2928376 967.8329306 196.9118924 154.2989633 38.53935294 2495.861985 3844.033876 1404.271916 2432.070625 2222.519639 4162.747712 4896.61784 2580.893195 4071.010787 4264.180433 3004.97839 2108.680479 1598.747464 782.4644389 419.73261 1921.240921 65.84661541 4109.604428 Isoproturon 4.07813e-08 4.07813e-08 188.6997129 145.7802824 167.5041389 176.5450699 127.2764996 424.4984943 99.89479229 65.33520174 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 111.6246356 469.4575892 449.7828437 523.6483039 450.1300025 665.5477294 639.6574314 484.1027911 442.8287481 663.2574222 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86.42168174 4.07813e-08 4.07813e-08 360.6957957 600.6341561 182.398712 318.9998569 383.3441208 416.5889237 293.4388192 719.2962779 1026.35742 262.3793629 82.74888618 210.8939512 200.5581675 4.07813e-08 134.1580521 301.6717581 4.07813e-08 259.2796896 4-(2-Pyrazinylethenyl)phenol 232.5436863 4.07813e-08 303.1535369 398.7734551 422.5595007 484.8220028 286.2624233 4.07813e-08 103.966537 99.39095245 62.17799635 101.581155 4.07813e-08 61.13288294 4.07813e-08 50.09403408 4.07813e-08 4.07813e-08 397.6803624 167.4498379 4.07813e-08 454.8489432 166.7956345 257.3294571 127.0789798 167.565338 166.3043858 4.07813e-08 55.1892441 170.1447068 278.9998307 69.51186125 400.5659641 237.2437249 121.6955122 89.91359886 500.9499448 202.9199759 408.2494013 181.0431587 137.960871 467.9476091 342.4529688 86.15945755 319.4080444 599.8557737 373.3978151 323.1480603 302.6684506 410.6994601 429.2221563 385.3356227 4.07813e-08 330.2236474 DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER ACETATE 582.1461368 443.2665769 1923.71441 1505.362005 2321.173555 1358.93813 1697.314257 1096.256212 754.4365912 21.97371355 524.3014558 283.7035385 109.7843182 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.966310661 1070.78388 3813.009275 878.4471395 2639.106045 8056.924381 5804.554249 4615.132493 826.9182765 4607.012564 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 112.7885885 294.2614815 232.1547209 4.07813e-08 4.07813e-08 2655.967865 2400.416671 607.8543659 3486.450061 3600.580461 4573.472947 6103.879748 1686.218657 4476.202669 5901.252564 1296.04676 2320.500597 500.1240493 726.2185634 235.7819758 1070.979801 10998.92637 4124.586937 Funebrine 28771.99398 33438.04454 19793.65457 30504.87617 25323.50286 29126.99172 31106.92155 40870.99705 64290.64321 8938.736627 9099.040224 6377.978038 7140.463577 6837.223147 8693.270084 7983.622104 9319.770966 10885.04533 19930.33866 21628.06551 25005.56599 15977.46552 21910.85747 22917.94636 21563.94358 22777.17079 24895.93956 9698.555535 10860.45987 11712.01412 11058.93473 12511.69637 10261.0272 11145.80129 10045.82866 8306.102142 18954.39724 19232.9455 22161.43958 24410.88275 17569.00517 21201.35904 20126.55864 17653.14523 27178.36201 16796.10612 26112.05892 20257.54645 27958.27858 39355.47714 6850.575748 21870.47145 9665.908068 18282.40965 5-L-Glutamyl-taurine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 486.9481329 3263.28717 1139.919295 505.0061187 2088.313708 940.0257375 1793.586974 6542.660955 1368.999845 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6238.619392 1643.98287 3314.48058 1749.532914 5232.178435 4215.462585 1184.605965 6665.636214 307.2780226 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1118.805444 4.07813e-08 1180.034414 4.07813e-08 3-(1,2,3-trihydroxybutyl)-1H-isochromen-1-one 575.6131374 4.07813e-08 1667.801463 1546.123416 1558.059256 2006.349597 1063.041184 266.8499438 147.7916178 738.8634024 190.7398476 707.339942 306.3539639 362.7337877 358.3733016 297.5565313 4.07813e-08 83.66781797 2065.052261 2095.421251 1523.298839 1791.669103 2905.604821 3450.062676 2454.748906 1488.655221 1913.287353 4.07813e-08 101.3686515 602.8134443 281.8117487 307.3202849 750.3723102 4.07813e-08 139.0704074 122.6592056 1420.033355 1675.661087 1442.889036 1462.428774 2342.518613 2312.551814 2750.296568 1591.105896 2251.365605 2352.974491 1973.679621 1893.441816 1171.55134 791.1968297 239.1384121 1455.861676 275.9219996 1628.259677 Fenamic acid 689.5939436 108.7319039 219.3356688 144.6803799 303.7603932 863.1853703 1037.616617 1471.270446 1117.117714 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 313.18505 4.07813e-08 137.1452714 390.7655248 748.7370903 697.9625937 958.2174673 643.3038646 890.5659889 889.8349099 750.3076538 652.496283 992.3522525 4.07813e-08 4.07813e-08 173.3815357 4.07813e-08 119.6656726 88.88710201 4.07813e-08 126.0554974 4.07813e-08 395.6953149 827.262716 784.1699146 542.9553096 935.5203924 711.8961664 807.2018792 1026.9691 1329.465381 568.9437565 235.6338103 709.6062621 273.1635307 439.9219175 4.07813e-08 331.3942726 4.07813e-08 696.8980734 (1S,16R)-5,7,11-trihydroxy-8,8,12,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-10-methylidene-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-9-one 2319.21775 1396.880506 2165.920899 1777.461829 3077.215856 1563.120033 1818.835265 4772.082502 9497.016141 20863.42329 21956.26143 14287.69963 18899.2038 23134.32034 39619.10168 26803.25867 50976.88165 44625.4038 3027.416141 5667.645257 2540.655807 3247.9056 3341.503008 6746.253755 4047.001771 1768.234708 2754.996002 24755.30032 24209.90167 37711.86628 27094.45266 48108.68192 24300.48842 54002.25031 29439.52273 29862.7539 2379.964153 2875.966291 1891.894807 2730.695708 4452.674717 3459.717495 5328.435797 3132.290559 5247.002816 4678.218137 1630.318245 1814.557383 851.2422368 3225.135936 19490.0163 2706.385765 8368.068994 4450.235854 7-Oxomeptazinol 5304.21739 3618.752104 5352.384109 5129.787135 5286.939427 3842.190099 3952.355397 3710.238499 2892.365771 1891.186763 1602.705179 1192.280744 1627.564638 1580.762913 767.5688067 629.7945634 1083.705386 1192.906753 9983.090372 8870.346086 7200.255876 7151.78755 7874.161603 7206.943918 7956.71114 12263.31758 9927.487561 1647.540178 1477.707376 1576.466842 1537.744404 2616.100533 2123.74852 2495.801412 913.0803918 1351.743613 7346.214891 7987.982621 7553.36706 6625.086809 9547.271182 7033.120151 7992.988645 10794.025 13948.34868 5667.041252 4649.816757 6278.830417 4359.294409 4238.249612 2548.42325 5592.794585 1752.851625 4854.893297 N-benzylideneaniline n-oxide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 220.6713288 96.50375444 4.07813e-08 4.07813e-08 4145.858591 3025.968206 2542.316393 3945.053669 2837.141117 2575.962396 3198.447053 4958.661942 333.7400991 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2936.498606 1981.648514 3534.602519 1838.528468 4426.762018 3308.473688 2642.977581 2102.090619 2454.767749 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 713.9231052 4.07813e-08 13753.93676 4.07813e-08 5659.545652 1030.572066 3-Hydroxymethyltriazolopthalazinone glucuronide 4.07813e-08 273.4248279 6.351130696 197.9976225 165.0220206 4.07813e-08 4.07813e-08 343.2525483 540.767999 2352.138691 2172.304166 2411.552716 1808.199108 2443.566255 1621.33806 4512.917875 5006.368099 4264.499187 0.198734707 4.07813e-08 4.07813e-08 433.9313113 17.6243179 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1002.889073 2582.743623 5770.940112 2513.16363 4164.278172 2401.507945 1987.061211 2940.698494 4029.316423 801.2407169 4.07813e-08 4.07813e-08 3.884764277 4.07813e-08 4.07813e-08 4.07813e-08 32.70551864 4.07813e-08 7.109373134 4.07813e-08 4.07813e-08 196.2805008 366.1928593 3468.23333 4.07813e-08 1571.186407 4.07813e-08 Isolindleyin 4.07813e-08 869.0353979 1055.939266 3616.154844 436.259487 564.3156936 961.7020516 2202.762169 1633.626497 3680.873117 3859.611184 3526.918339 2779.187452 4008.201025 4614.658023 1997.323402 2782.298471 3225.196024 347.229479 4.07813e-08 4.07813e-08 1140.55013 4.07813e-08 242.5415539 699.4078053 4878.293653 321.4469024 3003.708724 4838.204228 3883.394444 4105.63832 7227.11839 6087.216561 2018.274536 5132.663698 2377.997114 3521.465111 533.8504281 1330.050149 4.07813e-08 259.8113261 4.07813e-08 4.07813e-08 2195.723606 1053.977251 4.07813e-08 4.07813e-08 4.07813e-08 306.3672355 1122.96229 3773.317941 4.07813e-08 3796.812995 685.7866195 LysoPA(0:0/18:1(9Z)) 5770.539054 9228.96954 1536.080462 5008.655102 1257.583176 207.2348044 4184.233996 2825.65963 2827.846799 18386.52581 19504.81112 13087.69347 20785.17137 7508.674237 13883.29731 8912.768816 6805.027274 10949.05636 710.9455238 53.84540359 816.3469509 210.7931565 1015.083647 4.07813e-08 277.170439 1280.92064 538.5844286 12649.55918 14117.57408 9393.211928 9585.08191 6260.38394 11909.97256 14467.54536 5911.836347 8483.56559 6884.786981 538.7384542 2147.751132 941.3798619 4.07813e-08 1949.706941 239.5708296 594.7761282 295.5101826 36.76413748 429.11251 221.110058 5012.049406 8411.313885 14598.02115 1129.308035 9219.181594 1535.5104 PC(O-14:0/2:0)[U] 2097.095763 2556.548286 415.7880299 1624.570381 252.1473816 892.1379562 1496.973493 4349.147889 6813.689269 10170.12598 12356.54142 8848.297778 10987.69242 11125.37342 10961.88747 13888.18543 14127.21636 8911.766487 204.5255727 2891.941535 877.2325797 746.1469291 4.07813e-08 1182.903284 4.07813e-08 1006.324088 501.2898424 8014.908158 9803.797874 9443.382435 10251.28505 6298.111139 7989.733108 8495.440263 7323.195621 8230.420014 392.9569706 820.7366506 89.89395216 656.3731768 4.07813e-08 547.0665677 481.0909356 66.52844425 1048.174097 275.9893212 790.6745929 110.4651762 1982.642457 5024.85397 7164.056194 444.3490703 10210.44458 4.07813e-08 3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone 5341.054636 2829.552024 5310.945856 2194.939772 3709.92407 5313.42694 5735.563583 3138.320091 4855.966979 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2354.637932 2880.293981 3016.606622 1488.500395 4376.88799 3495.739533 1589.395275 1102.534554 4360.167785 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 453.1008415 2873.802032 2211.245193 4565.258045 2542.127716 2263.407207 6504.383345 1974.487194 922.0263367 2765.580518 1755.385469 2616.132461 1825.842618 1438.867947 4.07813e-08 2995.630506 4.07813e-08 4106.986331 Linalool 3,7-oxide beta-primeveroside 3610.666457 8750.637285 1636.175341 3757.908649 977.7292275 1425.051995 1892.646969 7775.49327 13480.5863 6724.958036 7818.767882 7364.583816 6862.872545 7967.630627 10260.01566 4571.021372 7323.824479 11908.38284 200.0282987 416.0999324 1255.048383 596.1503834 549.1258435 16.45476267 581.2210277 516.8463776 4.07813e-08 4341.696558 6229.337281 10059.10486 7096.239506 16297.09949 6832.998396 9088.631186 2689.004221 6579.098025 1028.58035 253.4166162 747.3654779 967.9492183 4.07813e-08 336.8216447 4.07813e-08 4.07813e-08 653.5397094 263.2944828 3935.858362 510.1653262 3073.544162 6746.861262 10422.82027 2059.494087 4938.264616 10.04847239 Eucommin A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18045.83977 47840.85778 22728.82752 16897.88865 32950.98994 2874.706332 16433.65866 3258.170967 21461.24334 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 71.38945976 10237.45558 16389.59025 1215.51717 14227.67788 132.8422189 668.6653503 133.7297434 8782.195836 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5428.533795 4.07813e-08 20741.86397 4.07813e-08 Peonidin 3-galactoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1259.86593 2302.721388 4082.4101 1157.326219 9332.144272 2933.898932 4620.812282 2374.406761 2228.867814 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 421.8660939 3260.36917 6809.289704 1958.522895 1886.115814 3271.654992 465.6627227 4267.684555 5032.030162 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2204.35398 4.07813e-08 2266.000173 4.07813e-08 L-2-Methyltryptophan 1748.76994 839.6192455 1742.321708 2421.727943 2666.962943 1835.275209 885.1768262 1683.613372 462.035793 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 136.364729 881.1407433 656.5602793 1091.912267 1465.743791 1232.206795 1455.175431 1118.281103 1485.545598 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 659.1944559 990.2528849 385.1598131 1039.92946 984.6179799 821.7486928 1538.51272 1482.512597 1535.337866 1371.956204 816.3400778 1063.481038 497.7640552 600.8693518 4.07813e-08 398.9735575 4.07813e-08 1322.57885 Forasartan 4474.323025 3199.601944 4400.719685 4022.110663 3768.63572 7105.166547 4155.856238 8808.097819 12451.01556 129.0705406 308.9284547 263.3355746 252.4371902 471.5981546 141.756672 315.0429689 100.4282339 4.07813e-08 1480.688852 1996.724235 2392.476472 1514.121573 3086.369548 1739.111251 1239.670469 1432.78459 2839.178844 4.07813e-08 157.6779696 4.07813e-08 496.442735 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 251.0366081 1685.817179 2375.617787 2477.126664 2835.380145 2768.931172 2096.841719 1836.221425 1473.011173 2037.986415 1971.503528 3620.894876 3714.298982 5194.4833 4376.806926 348.2613477 2303.224898 313.4662066 1912.79184 EUPARIN 513.9515356 104.9272193 250.5056205 276.5300585 840.2857087 560.4585997 351.8201872 565.6881612 63.54086842 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1207.662862 989.770223 380.512547 762.8583492 1402.483155 1333.862063 932.5874689 749.4527902 650.2965282 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 377.7455317 417.8714525 262.7452428 852.0868479 862.4524685 1000.756131 1128.755749 716.7985252 514.36366 931.8675647 532.4654464 405.4044064 540.5428801 261.7372226 4.07813e-08 487.3945668 4.07813e-08 606.1210775 Valerylcarnitine 1523.165822 988.2058782 1443.484129 1623.970379 1682.583936 1182.922338 1286.347931 365.005246 943.5201129 453.4462856 581.9902725 324.1004826 422.6567476 296.9689056 440.609985 262.1931379 74.05062427 48.76878964 1816.899551 997.1929078 2055.849998 2294.566597 2624.686386 702.4756582 1520.020951 1507.703919 2345.944752 225.4478175 108.3101181 562.6102707 396.3225586 396.0550148 790.0510674 420.2651342 435.898741 730.151579 1682.93148 981.3345644 1467.118058 1984.771804 1711.862611 2466.176614 640.475776 1284.694644 1936.324105 808.0293498 700.8295018 1413.603865 1097.429241 1178.868228 453.6647462 1168.582376 211.982014 932.1568041 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid 2097.323762 1361.282855 1569.103602 1731.19969 1850.329156 1501.258139 1378.339565 1152.181359 553.5309624 311.9066334 405.1759497 113.0397597 413.7127234 49.50678008 453.3353999 169.1384727 46.23742917 345.3244143 2067.965629 2493.1428 2097.325598 2481.916318 2253.457135 3093.622928 1842.254139 2522.863729 1996.05618 4.07813e-08 305.4278495 99.68939383 201.1572324 318.7730802 50.81383095 164.4084057 4.07813e-08 264.6185241 1165.427273 1554.205812 1781.76045 2040.953735 2389.598573 2462.514476 2858.020605 2024.452645 2160.689422 2950.195492 1591.189582 2058.573572 1819.106591 1413.645894 447.8922577 1436.573554 259.2336283 1818.591782 C16 Sphinganine-1-phosphate 2019.843045 3590.582463 186.5471228 1963.645275 208.2600728 859.6931218 746.4068188 1340.631932 220.236036 6884.413295 5392.450055 4849.489793 4852.015779 5018.13766 7087.449886 5132.019852 2516.627242 2632.198478 731.4517211 1615.981984 1274.554971 1259.178582 1438.314531 908.7658884 124.6737325 697.3351368 999.5120249 3715.689415 4484.394901 7137.819291 8479.641467 8102.45535 13035.0279 8841.898198 4812.809112 7282.924059 7519.982807 462.5556343 512.0314074 501.5650406 1348.507942 721.9829168 1040.775941 1369.402755 971.5577564 138.9845859 649.5237848 317.7528936 1018.203339 3372.15457 12967.32833 1705.778695 7182.658789 978.0458496 Mahanimbinol 26649.73041 21210.75302 24843.46943 23147.82549 25952.08209 16090.74566 17980.80606 23502.11482 14962.17557 12354.10091 11044.13752 11887.30511 15070.73744 13411.11357 11302.42722 17713.87 11219.34614 11436.27962 17264.33947 17930.59489 13393.82634 15474.69678 11098.96812 11730.20014 15217.9489 19827.34317 15331.4983 10425.17159 10199.25002 10216.9789 11241.56138 12583.88337 12051.6951 7457.482112 16585.20726 13251.81368 19061.97532 15418.41247 17385.54202 13110.70751 13381.64622 15857.66289 15498.69928 19275.33723 17858.72765 24462.13756 18273.19184 15663.3326 17115.26719 13212.94538 9195.586993 14148.29907 14513.06111 18961.27577 Heptanoylcholine 15453.85409 9481.959127 11345.66601 13341.6123 14579.63628 14391.55904 14363.13505 9834.861404 10388.28684 4161.664358 4207.591925 3263.522191 3889.465515 3908.394085 3006.875371 4618.812255 3708.089095 4608.729734 17507.11136 17015.31473 15018.35876 17041.16527 20966.32996 20492.82162 17724.11921 11674.06795 12515.28928 3016.035416 3196.347323 4185.143072 3379.759886 3532.640638 4059.578196 3248.705404 3560.963232 4097.100817 13882.1879 16315.25302 13710.18401 11756.03536 17941.41103 21923.95662 19610.07567 11583.12187 12664.1867 16738.21307 13851.81711 16383.08527 11338.38914 11945.92046 4001.5207 14986.87199 4069.247884 11753.79652 Mycosinol 1732.738058 569.7515412 2423.752199 806.1605227 853.6882896 1431.489053 1212.797946 1402.066282 1602.098199 364.9416316 387.781049 256.785077 220.6317886 309.1310292 410.4116206 347.9212855 249.8820748 376.2050228 2520.581397 1981.621889 1974.661306 2306.214215 3341.908755 2658.784749 1819.335442 2690.369262 2218.520962 526.0713711 450.7553655 721.178326 1311.963498 779.2111894 623.5567385 846.1770773 201.0353377 94.80482255 1718.388992 2069.507674 1927.394831 1799.152733 2426.107923 1759.530573 2963.255198 3088.494846 2499.418505 2235.509189 2020.863085 1995.241603 1538.361112 1282.405943 412.9743492 2155.184383 538.4785731 2315.418343 Azelastine 235.4588658 3328.606497 148.6570371 18.72681326 4.07813e-08 114.6165431 29.95354677 3447.544948 1343.076539 185.5908484 25.54104855 29.34921401 125.0846144 17.20630439 175.4485319 118.7214499 106.9210665 97.62159505 660.7288266 609.667042 332.3261874 723.3846503 451.6330341 956.0267626 22.78470123 875.4080778 240.3760678 18.85201184 130.0978829 23.37620218 9.068681969 247.0773845 10.04593623 57.40729774 4.07813e-08 4.07813e-08 579.4903639 318.8961132 478.75964 569.6238596 125.6570644 52.64345741 607.2161049 1139.915022 1030.262623 34.14514684 647.7610209 4.07813e-08 2152.533779 6394.671992 65911.91645 2997.3821 10336.56497 1361.703672 Meradimate 1909.165402 2051.818251 3193.467004 2733.487714 4213.282098 2889.371821 2551.345429 1045.437268 1051.459489 4.281172376 7.944994912 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4024.31684 4677.874636 1770.439486 3243.822339 3839.410902 4592.913645 4132.678512 5434.627653 4302.964759 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.054432715 1995.698378 2437.4615 1698.602029 2841.879368 3638.972505 3568.957308 4011.000831 6205.66499 4436.10538 7225.990065 6198.354751 2607.986732 2535.641037 1702.415579 4.07813e-08 2061.331123 4.07813e-08 4371.474428 Pterosin E 4705.059378 4862.825149 5049.379344 4145.563976 4234.35509 4723.145437 6743.649822 4598.721023 5030.059157 1423.106191 2632.268975 929.3707037 2142.214599 782.7633749 1016.135141 2840.383074 442.8159269 1240.994349 7798.753422 6899.66674 6932.418516 7352.093323 7874.412753 7409.110423 6477.020815 6941.096338 6498.194162 435.2731438 1533.291427 3215.993946 759.6391394 3407.062285 3671.848068 1402.554176 294.6817338 668.5942295 6907.722132 6900.897163 6727.428463 5880.082228 7113.336205 7871.168786 8059.396586 6401.734748 7567.777622 6064.04407 5069.075067 6527.694397 5526.242569 5934.204408 1877.831225 6824.751819 3559.854121 5711.733216 DL-threo-PDMP 2224.775839 1816.615486 5808.056598 12447.2728 8563.911315 4082.576834 2798.432284 2404.393798 1872.962659 2490.47878 4230.841521 14297.56108 2153.557127 11276.51646 7806.651298 4230.078741 4.07813e-08 2040.825966 13934.45817 13719.63722 4773.732918 9538.461203 2128.96875 7951.600061 7300.779611 10455.08607 6652.912423 4.07813e-08 10532.18524 11714.45986 8849.34307 14292.21643 9229.043782 7021.331496 1074.102108 8430.235653 8435.647507 9824.445049 5814.978758 3220.549856 7248.954639 4086.553735 5471.547687 9234.863568 10709.64234 13968.36134 8785.189084 7769.670054 5498.289273 4961.984352 10115.68837 6513.632545 11175.24688 7216.912702 Dynorphin A (6-8) 5385.792792 5991.766364 5976.437917 9011.428234 8938.133725 6833.842911 5141.345521 2417.865842 4679.451965 4334.313891 3647.14798 5059.086194 5751.375196 3422.464267 5455.120229 1963.610824 4.07813e-08 3143.040149 9922.913586 9139.915174 8180.338998 8435.153179 10281.9667 12113.35587 9162.111317 9852.856392 10413.97827 4.07813e-08 3485.816981 3952.39898 2253.901679 5211.25421 5341.388935 4238.130032 1295.411239 3678.287986 5886.866517 8366.350866 7415.114675 10696.69495 7613.951758 9909.253636 9278.988796 10197.00705 12550.82929 7781.492043 7256.186911 5602.700197 4181.873376 3859.532963 4337.322838 7296.524399 3739.57644 5907.877033 Capsianoside IV 369.8646977 4.07813e-08 3053.477706 1639.314025 1583.545916 1162.659833 1940.258875 3643.84208 767.482965 265.2399277 4.07813e-08 4.07813e-08 843.6963059 4.07813e-08 275.0398112 4.07813e-08 4.07813e-08 4.07813e-08 1835.332682 1606.575014 785.4973641 4.07813e-08 4.07813e-08 4001.48264 714.1190908 347.300775 324.9810933 4.07813e-08 4.07813e-08 4.07813e-08 848.7708729 4.07813e-08 402.5997422 1107.881315 4.07813e-08 4.07813e-08 900.816862 532.1455135 4.07813e-08 1638.603179 1968.900739 280.7694211 3769.858414 3294.021707 4.07813e-08 18973.4352 5467.083303 4272.919609 329.8525262 4.07813e-08 4.07813e-08 2261.415622 2024.732233 9234.643849 1-O-(2R-hydroxy-nonadecyl)-sn-glycerol 7168.673497 8628.332931 6640.724449 10656.04073 15098.43706 5979.96927 9089.944453 9581.065507 9085.806666 5732.815513 1739.652639 1780.003221 6528.705631 2302.849056 5344.745439 4.07813e-08 948.5268487 8935.252381 8789.886695 8005.498328 6855.357054 11636.3416 11352.51654 6945.421977 10464.77136 8855.275748 8863.070542 1491.166902 2761.512212 6459.631153 965.5824127 3119.126598 3348.607844 3121.832448 1841.214091 3587.143238 6566.3593 7667.692944 7595.333979 12826.1679 11019.51641 12292.2618 7645.072807 7959.711533 11473.39604 14988.51771 7520.760608 9727.641901 6867.482159 5343.633176 4456.248011 7538.717594 1820.808888 6911.352795 Alpha-Trisaccharide 558.5831875 776.799416 740.730661 151.9112935 194.9390771 361.2535329 1943.967642 1184.599422 2312.989412 17485.75636 7689.297083 44471.10435 17948.92955 69357.08957 42014.65411 54091.76527 68873.60979 45131.50663 434.9269631 807.0405862 801.9330686 379.7802239 160.6502408 798.5600521 374.5739298 739.5949888 389.8723719 40381.8679 13135.58217 4.07813e-08 11064.01407 3767.808099 1048.197124 5575.982792 36450.38428 5786.220703 941.569065 454.9556719 525.8192832 1699.428708 461.7190369 4.07813e-08 234.7873385 520.9334783 68.05082298 448.5316572 3273.982506 418.7733415 682.1934389 868.1021594 18726.0798 357.4904557 811.7696976 4.07813e-08 12-KETE 6408.544444 6751.138358 4536.66763 4954.037771 5403.797411 5360.290361 5138.282917 3981.239746 3749.431443 848.6058817 1357.611464 590.0714029 752.4361149 392.6467781 424.5581663 4.07813e-08 719.8678435 191.3687593 6513.596597 5428.225768 5312.193851 6013.237986 6331.730135 6159.327423 5280.131046 7554.024929 7448.338398 107.8855623 203.3963425 582.3970697 96.73068042 1056.384529 1492.413139 293.6550914 4.07813e-08 273.365725 4391.946259 4885.750333 5100.294219 5476.97741 6032.209358 5497.671223 5941.67316 7921.179229 8343.99615 4495.623381 3685.771568 3570.073584 3017.828429 2827.538249 435.3544006 4125.397948 899.6226017 4670.45698 DHEA ENANTHATE 1747.306943 2499.699688 3457.312776 2011.043221 5096.929034 2101.395031 1346.835015 3139.640416 3660.826253 89.78209527 1172.941882 3408.938076 500.8632372 4404.757437 2175.597166 923.3790302 3508.905853 6001.458878 3287.667588 2048.456666 3151.280916 5233.804479 3212.256274 2787.762196 1455.52569 6686.917799 2588.825137 4130.721062 2211.51052 3112.180959 835.5741219 1416.745006 2586.71493 1508.227974 461.3652298 2372.993948 5988.474362 2985.014257 3017.602347 7434.551033 5148.363695 3397.179322 1980.716354 5338.677469 2672.388506 2383.909981 8129.795061 8903.726498 6469.703187 3249.901235 663.8700598 3203.383308 130.3746503 3717.193084 Docosahexaenoic Acid methyl ester 278.4270041 435.3209393 673.2864186 170.7650544 242.125547 431.5126987 4.07813e-08 1511.450332 1195.585532 82.03454742 4.07813e-08 1388.690466 311.2604031 2516.460412 3907.782558 105.1951397 254.4899541 5724.066931 555.3211224 440.404811 630.5175754 270.9008564 92.45125224 4.07813e-08 166.4542481 124.1645648 4.07813e-08 336.3256714 1130.133434 4.07813e-08 4.07813e-08 119.3181911 4.07813e-08 70.42292856 4.07813e-08 4.07813e-08 264.8672852 169.6825464 887.6209603 666.6240848 4.07813e-08 210.204801 4.07813e-08 4.07813e-08 4.07813e-08 3131.470654 1139.122862 373.2749658 1757.561996 302.1458044 908.559991 803.7142596 299.0140543 1429.666197 carboprost 3984.06621 2585.694947 6593.329124 7019.173009 11647.96231 5495.971315 8900.966627 4196.727557 3394.888058 833.7847856 2054.246355 1594.366254 1162.343551 3501.840695 1009.582769 1315.062713 1240.46058 1745.648413 4927.695887 9712.842521 2603.825797 9409.50604 24489.44418 19301.47253 13869.43698 10710.20912 21047.30784 253.8745673 1091.114974 2344.990303 707.0803323 2356.430695 1083.860647 702.3802136 392.0451563 595.4818031 7298.332554 6654.940652 2278.039818 8567.208922 11898.09068 17349.97029 15150.77955 12686.96359 9320.040681 11051.70987 5083.776551 5376.726031 2875.525755 2019.303449 1118.323129 3342.628176 1279.522875 9714.215391 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate 10650.77771 7638.01617 14841.69449 14026.18212 21051.21096 12180.30438 9610.523323 7098.869577 6021.787251 2942.328641 3936.412324 7553.712629 2481.831591 9418.373225 5823.818915 3712.890923 1735.823571 1980.471579 21438.78811 19717.63161 19549.67128 15600.05874 24591.97658 18410.14542 13324.9785 17900.93643 20280.75314 3046.871543 3489.399032 6155.722976 1110.461227 6377.481118 5245.962208 3237.949954 3896.624841 5989.935539 11110.80607 16865.87342 13501.1832 19957.81332 16776.88493 18523.06731 18464.88042 16206.16958 22339.58402 19987.27859 15552.86664 13358.56053 12432.31743 9071.806713 5131.818857 12369.22151 4062.605388 15570.93536 Androst-4-ene-3beta,17beta-diol diacetate 6994.626427 2541.104056 4641.995698 7009.076248 7253.525411 5996.524519 1948.512433 8768.337102 6480.094498 448.1990811 164.4224116 171.0904839 96.63106226 171.9350276 186.5954607 411.7894635 3019.438795 1028.628936 2409.883253 3925.690852 4353.534268 5495.223991 5914.710403 3874.077463 1838.832746 7566.460351 3807.056795 1141.40561 403.4132363 192.8348843 305.9709805 345.0994446 398.3243751 188.1499807 1725.734821 472.4304623 8571.523441 6819.586131 5898.36277 6245.356324 8412.644471 2989.658685 6342.521098 4593.742679 3597.568376 5705.083888 10340.90465 4137.289398 3229.976688 3234.985729 485.4249707 2780.51546 376.3900182 2997.034915 (6S,9R)-Vomifoliol 3865.752995 1438.407064 2663.840977 1514.290329 2277.547086 2008.502433 2916.433856 485.9536525 3414.852403 316.2618415 310.198286 305.6711382 112.4370438 425.3872935 205.9496209 242.0585333 266.1540768 242.7052222 3693.001723 3636.944418 1912.958555 2921.033449 3580.574225 2244.352663 4401.836847 209.299933 931.0956196 237.8439832 177.755157 363.5497405 223.9998512 411.2495037 241.79009 452.178324 839.3055974 495.6239601 3566.525086 5125.571189 4527.277524 1934.72218 2338.67395 5870.811375 2761.894764 281.1739135 697.0155568 3459.493358 3921.211395 4775.857633 2104.27875 2418.792541 166.8276107 5215.04026 284.855398 702.1698323 17-Hydroxypregnenolone sulfate 24429.31019 19239.53229 15575.43257 15371.54172 21658.07005 13751.53943 14974.96738 11792.26469 13888.67893 17650.62752 17597.13405 8854.198114 17143.42523 10572.94745 28167.3528 13356.20956 32196.47766 7923.586153 23463.1231 28533.39495 25913.30563 25235.78391 26753.38884 18270.82333 25138.70622 24768.68119 27551.16689 17624.48131 7949.071774 25799.37122 9423.078907 18160.41847 19032.21113 9430.053352 27237.24061 12243.39381 16828.56359 18317.07842 19575.79009 22258.852 24843.5949 28552.6085 17848.93353 20685.99617 31928.34228 12579.11719 10044.70197 14089.8343 14627.48884 13315.51538 17641.81374 20530.76778 12872.7928 15075.43636 PC(O-12:0/O-2:0) 3298.578514 2078.066093 3507.89178 5386.155992 5196.103276 3423.191268 4541.192228 1087.265891 1743.069428 24.6425747 272.0585845 455.2481339 285.6204675 1150.923494 941.4995003 4.07813e-08 4.07813e-08 124.8074395 4370.941545 4136.744784 2879.295962 2655.76647 5678.009262 4876.35729 4625.583474 3673.136441 6813.958941 448.719274 532.3425966 1108.686468 304.9736844 1837.170864 1411.587756 177.3831701 4.07813e-08 641.9927664 1264.189154 2404.455025 2264.025172 3345.178611 3308.092408 4305.699001 3801.176875 3891.058903 4611.894731 4414.046744 3546.538658 2474.01802 1754.336434 2233.56132 344.5384359 2839.070226 1175.571264 3167.767711 2-hydroxy-15Z-tetracosenoic acid 4699.086051 3697.816757 5229.419965 7602.376832 9589.81073 4848.582344 3663.700137 1826.462456 2283.884207 5014.329623 3793.255101 2520.163976 5278.733657 3373.820943 4063.180038 2547.979315 2558.261161 4693.171212 6190.233777 6066.972846 5984.430479 4375.435699 7553.810334 3842.312579 7129.319841 5834.981975 7666.708133 4028.83212 5294.482397 6456.321288 4398.38929 7349.566871 6362.428728 6091.271743 1608.771036 6144.490941 4213.484934 4469.270413 3309.779728 4469.147393 4434.568365 7773.599864 4313.106423 5134.025256 6517.347568 7908.62992 7451.707706 4993.71246 5278.458703 6097.008467 7748.868786 6774.704889 6801.593458 5707.391514 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe 18268.96811 21360.54752 28067.72579 39294.32433 66630.61839 41772.66151 23486.43426 24691.33235 19949.06626 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13389.43112 25515.21229 14864.48574 13746.82619 21144.91433 20275.6293 15436.26404 20629.59134 20954.84509 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 259.3285424 8943.339239 21641.3737 13504.83309 18198.56022 23149.57343 21072.773 21174.6899 22914.05484 19503.994 36482.03561 9410.742194 11400.34029 10408.6641 4315.295981 40.78678496 14979.38367 4.07813e-08 22520.258 Amabiline 414.1554996 102.5803764 1507.986984 3719.928815 4078.816589 844.9745455 4.07813e-08 90.93506591 252.9000689 4.07813e-08 255.8593515 3828.711228 110.0082835 3090.894669 4.07813e-08 2106.310002 580.7475421 230.8857784 2601.746294 2539.888896 5222.621177 3979.777785 1626.383938 1831.549374 2651.3055 2851.403593 2173.321946 2065.160597 2630.532546 2657.706143 3046.175327 3920.204067 3328.663083 3521.753165 2003.934738 2204.198195 4727.932359 2684.096302 2366.537501 4645.368657 3123.248557 1697.274872 1136.944604 3487.080782 7043.278527 3245.399577 1509.014959 1573.461426 1794.154634 2812.272578 2569.894475 2176.22931 2592.175121 1142.08227 Cibaric acid 24614.06127 22940.18124 21868.15676 20984.74512 22866.13922 29473.27619 28746.60375 21169.68486 25560.90717 7469.882469 6428.460395 4498.156462 8016.802454 5289.95725 7155.061852 5830.35756 6523.204438 7184.94249 32100.6537 30674.82994 22401.09161 25892.1398 39240.33829 36449.46777 29004.63284 24874.53986 28544.58068 4076.70489 5244.347165 6256.829762 4366.550353 5245.098696 4453.985265 6014.916252 3481.499811 5247.669482 22933.85492 30182.90507 23407.97215 21843.7257 29024.78398 36394.92272 33994.84731 21518.69666 30362.28831 29629.93099 23725.4073 26920.38158 21559.66721 16446.51347 6730.679398 27958.03936 6715.580239 31231.69037 Philanthotoxin 15664.0116 9034.138004 19115.29616 29545.30973 38394.0885 36436.85115 18974.64073 13161.419 9927.376844 118.4455386 251.2184355 1566.534295 257.8890639 2096.482922 1821.529337 103.3695679 4469.628293 3329.860952 24503.41114 25776.26966 17854.31119 17876.83747 27041.4051 29890.22442 18247.27377 16312.40215 25422.53076 174.7719952 628.3518618 1842.94608 297.8725871 1114.861391 323.1189743 330.523435 1621.75765 904.8815533 17361.41075 20369.92415 15555.51408 20711.39028 15824.04983 23540.67613 22051.61613 17270.69066 22819.03228 21180.77861 22101.64382 23613.76393 14817.1452 11390.62167 807.088069 16154.32087 277.9331599 24318.68455 Sideridiol 9052.621206 2755.081802 6673.638478 7711.376365 6644.593071 14375.96813 7846.27802 5051.775271 4728.336251 174.5282094 120.2214604 253.6576332 4.07813e-08 285.002945 57.09624033 69.89719632 268.4391792 4.07813e-08 8054.805828 4265.545994 4035.35173 7776.537361 6339.940652 7892.681959 2669.689283 6123.911994 6510.756551 4.07813e-08 4.07813e-08 458.2526391 4.07813e-08 4.07813e-08 216.0884243 4.07813e-08 2309.505739 274.8042588 9711.052877 5973.14729 5164.180924 4090.1415 6980.255033 5888.549173 8088.795646 5830.578071 4098.202254 2338.610742 3211.25428 5077.615 4744.763881 3147.634841 61.60632812 3588.242741 236.8593661 6412.463357 Ruscopine 1056.78739 319.7658675 4.07813e-08 307.7195804 266.1106602 1211.184553 1174.955469 587.6586943 817.2112613 82.28405873 455.769696 285.8581319 354.0923168 482.0956271 354.6171326 561.7613809 3987.667241 2657.92434 2583.004078 2446.426957 1945.513925 2472.599798 1041.797387 2635.274703 1384.527844 1150.671963 534.5621224 210.018497 382.0969048 369.6586761 4.07813e-08 1460.391272 318.4214872 111.8778638 775.4638411 3329.605468 1812.110914 1346.171219 1538.811251 1236.225283 1920.38751 2298.780377 1760.687719 804.3995859 1113.951374 1726.978778 1424.640211 2314.178445 1705.960424 571.3619618 1634.715763 2347.017242 195.6210399 1442.408823 C-2 Ceramide 3618.345921 2072.978569 791.9157236 1070.256602 867.47464 524.0570616 2661.409982 8017.691054 8652.571897 1880.528962 1666.944847 318.0102128 1017.530919 2499.521029 4.07813e-08 725.2988066 378.7658888 1678.172341 860.8448467 488.1088247 1229.794211 1167.673676 1070.479978 983.5594258 1246.793323 271.7382696 1579.497807 4.07813e-08 285.6619667 695.1488338 380.1992509 488.1665806 4.07813e-08 163.3235517 2113.377131 1237.730057 2445.809275 4562.772392 2572.104524 977.5663025 724.2526571 1506.233906 933.4055568 484.8530579 640.8645017 4.07813e-08 4.07813e-08 415.5129859 1700.572246 4681.747821 4.07813e-08 1277.583802 969.4014851 1390.337217 Arachidonoyl Ethanolamide-d8 29119.52945 30249.76139 42248.37263 46759.06507 19866.73496 10153.85582 6185.21995 4055.579755 17111.96583 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10115.7624 277.6863588 14537.76123 5530.657109 23135.96041 23633.20929 5736.141955 1890.45814 820.1664316 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4618.352202 7628.833584 13619.11461 6219.809996 3710.050107 12612.68036 19562.61429 1342.641276 11138.30024 4.07813e-08 4.07813e-08 572.8600926 8807.522558 15452.83759 4.07813e-08 11883.34773 4.07813e-08 37354.41476 methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 1851.601011 2385.132064 7480.014604 5331.21545 4827.994673 8646.536262 4852.373585 2905.483428 1158.551472 4.07813e-08 4.07813e-08 78.51743285 172.594045 4.07813e-08 81.12308831 4.07813e-08 100.1449874 119.009127 12119.98624 8541.25396 6885.209458 6518.662528 8678.49468 5622.49151 5575.301635 1390.468198 4168.530609 79.94287994 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 99.23294412 2546.712081 7539.42697 5242.695403 9632.548442 7773.995755 8984.889246 5533.850508 2306.30953 3906.819128 5595.108755 4224.74261 6784.569924 3415.445505 1396.538415 4.07813e-08 9196.977189 4.07813e-08 5664.534749 Mitragynine 27612.73638 31021.77974 28625.17214 35545.94113 25377.911 28812.35023 22173.9861 19846.88237 13241.89432 24409.07607 20262.17053 17742.98774 23998.36526 25648.24631 26832.98255 11597.64428 15600.19042 11276.69377 35735.15811 36037.91375 32566.56544 41754.76472 35467.52715 25358.77157 33942.14335 39040.58142 33722.15946 16067.60772 15236.41434 24460.98129 20459.30311 21901.2037 20851.36004 16488.31873 15510.25405 20282.95767 33026.56257 30177.10129 26420.19744 35432.23533 40997.73871 33385.55215 27891.24928 37690.42624 47944.19643 20609.34267 14741.89993 24017.88941 27906.80299 23675.88196 22472.13513 33577.8584 21379.23286 25388.01959 Gossyrubilone 2489.61025 2746.695236 2562.674811 3925.245603 3231.22654 3585.213672 1683.583987 2774.598842 1343.688066 1708.891815 1353.542059 2266.095667 1559.838797 1206.821235 392.2403157 855.6867759 893.4923232 1465.316193 4941.975358 3701.282285 4258.262761 4256.863637 4376.009685 4488.930498 3758.933523 2681.597573 3214.167294 896.7528383 1641.43045 1442.849508 514.5898678 1703.058503 1300.542706 2001.786384 803.7898253 1001.486052 2878.745813 3752.229873 5030.835819 4899.206882 4242.411996 4531.868442 3413.673918 2828.015932 4486.226588 4609.577243 2985.782762 3873.123791 3057.929242 1727.105064 1423.445047 3430.563759 288.6414119 2667.332988 Neuroprotectin D1 18282.40656 12794.55191 17815.63452 17462.54761 12690.04899 21668.70413 18579.84306 12388.36545 14084.3297 3132.832793 2390.502228 797.1561837 2763.596303 505.5647208 653.6102536 177.939679 852.5627851 1498.955801 27659.09192 34064.26571 18663.99342 26543.91526 26371.75759 28256.90867 22452.33277 19570.31422 25264.82006 494.4851573 2028.919194 1031.830767 1310.431541 3219.507915 412.2638329 1690.20039 273.7164548 171.0841111 17151.06198 23731.0921 20157.4552 18615.37694 28269.66198 25715.81224 25522.56609 18260.65162 26262.62941 20504.3988 19926.16283 27330.33263 16725.93909 10945.55367 3375.024205 25594.83791 1188.687167 16574.70549 (+)-abscisic acid beta-D-glucopyranosyl ester 4.07813e-08 4.07813e-08 333.2648671 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86.59506247 4.07813e-08 4836.387964 8700.178076 444.8254995 5003.448834 2621.476292 591.8242559 15170.55009 4861.697116 850.6095144 4.07813e-08 318.571644 280.9829527 4.07813e-08 57.82380079 144.7847985 4.07813e-08 355.1717721 4.07813e-08 2183.994197 110.857823 5252.507433 1006.489902 14366.43279 4826.042129 795.994705 741.4164694 1561.14034 4.07813e-08 113.4831879 4.07813e-08 4.07813e-08 4.07813e-08 182.6793845 396.571142 215.2617432 277.8728944 4.07813e-08 100.001646 4.07813e-08 4.07813e-08 4.07813e-08 13650.41808 4.07813e-08 6396.045417 4.07813e-08 9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 22835.09178 9031.52 16231.39427 8486.24885 13252.53015 22168.83423 8010.102951 6668.229927 4977.425811 10.43665449 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.03652728 4.07813e-08 4.07813e-08 98.01784027 17864.48141 5725.604171 9215.762391 6309.470852 14660.0052 19707.62267 5862.741652 6424.240001 11511.92753 143.7170599 4.07813e-08 4.07813e-08 4.07813e-08 83.5958356 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14880.25801 5978.903532 12967.9181 5583.434321 8302.708001 7979.182212 23197.09901 7304.970402 10080.97131 3912.953387 3516.458952 2974.181787 4856.776907 3064.567801 4.07813e-08 753.1600704 548.1878913 5604.211973 2-trans,4-cis-Decadienoylcarnitine 2897.539767 3729.277908 4844.160315 3548.743789 6012.237582 2830.397862 3896.787835 350.9797896 879.8661881 2189.699293 2500.265287 4076.229921 3181.677876 3026.624205 3758.279665 1569.159753 1959.709815 1057.363812 18382.00291 4687.612159 12947.57764 11466.07068 12547.50623 1398.628531 5480.376095 13459.73901 10394.92093 5649.404136 5864.248635 4072.496628 3276.913519 7104.317475 4905.989015 5231.60276 2372.823447 2752.564574 9836.026639 6705.84159 11848.91755 10931.59628 12527.12499 14124.70767 1251.855057 12062.47771 9047.593508 328.686814 5291.916926 6830.118281 10865.38123 5906.20431 8014.833937 9062.217662 4184.988808 2347.857196 3b,15b,17a-Trihydroxy-pregnenone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51.53418791 154.9670846 4.07813e-08 4.07813e-08 694.154208 4906.69002 6125.189689 1212.409256 14492.51196 5079.696106 6249.423985 8074.822611 6313.96747 44.370646 35.17943661 12.93568611 80.5474753 54.92023684 20.99041749 27.1284276 4.07813e-08 756.4791233 2746.886847 2655.996875 7940.736171 6621.966891 10516.33044 3289.154127 2914.408576 4573.60484 4398.626364 4.07813e-08 25.4547324 4.07813e-08 4.07813e-08 55.04121514 4.07813e-08 61.76082754 9.433382972 79.30915875 32.96725601 27.65232161 4.07813e-08 4.07813e-08 4.07813e-08 4570.357395 4.07813e-08 913.5664194 4.07813e-08 (+)-9,10,18-trihydroxy-12Z-octadecenoic acid 12379.35187 9960.514859 12906.76289 16251.62283 15250.44275 9932.257221 8200.729389 5567.647382 9203.317239 3857.119463 4454.990067 4673.230594 4013.872196 6403.327176 10950.26599 1554.521638 5014.452115 3683.548923 12678.74771 8147.851805 13966.39534 14936.55098 13149.58463 16000.25588 7787.079569 9096.153892 6596.451086 1081.367104 2278.061352 3717.300802 5191.16334 4927.256375 1069.230778 4024.552336 4966.564082 2415.495447 9378.780535 8985.438213 10571.20469 9967.967457 13608.78267 10506.44109 14841.39749 6281.590284 11518.7767 6531.874387 5439.432728 7845.656386 7339.125308 6933.250316 3227.593325 10037.48688 2638.048093 11013.44938 Saponin E 4.07813e-08 4.07813e-08 773.75256 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49028.49438 47394.36901 37480.22657 37158.08536 40757.10457 29333.76955 16381.12753 61719.44376 63767.26099 27.42632996 4.07813e-08 345.3934761 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 283.3006847 22324.21752 28233.43902 36641.92014 29426.02289 47562.71049 29418.39174 20750.20584 21700.03641 26054.49136 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.38033887 1015.407551 4.07813e-08 2.346669778 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 157.8392053 29523.52632 4.07813e-08 69497.4918 4.07813e-08 2-dehydroecdysone 1027.247731 1738.564648 1302.315991 1425.319332 1760.233337 2552.219623 1057.117755 3238.770376 3971.944042 1100.847884 2778.62987 5572.576232 2456.794534 33002.24904 29274.63019 3029.867417 60772.81207 14388.74725 1547.595514 2420.309873 1416.869836 5595.516376 1407.227569 549.4873199 271.6416959 465.3937793 314.4455803 19878.06682 4815.749971 358.9713981 5709.830797 1163.54532 2527.677986 770.4712038 11124.44883 483.3513101 2955.45835 358.8524154 292.6362731 1647.692833 4320.944435 1257.244149 145.6660607 307.2030684 703.0628278 1889.954137 6981.988235 1008.232498 3439.674349 537.4150122 3078.528773 1060.560732 339.9297034 542.3758671 Ethosuximide M6, 2-(1-Hydroxyethyl)-2-methylsuccinimide 8916.480191 9547.444233 9634.494399 10226.53523 10107.93664 9552.372239 9214.837873 5672.725871 6609.989785 5935.073981 5823.389073 5678.635496 6275.618543 7238.515015 5824.524121 5517.464153 3977.520446 5530.18304 6838.100926 7025.74966 6055.526589 7035.370799 7345.48878 6796.250288 4353.86434 6300.895864 6024.042111 6067.31856 6640.869917 8535.34043 8694.619406 7520.082838 4459.137983 4207.760413 5741.876762 6995.457359 7813.660103 7179.693217 7780.974243 6686.252517 4080.117029 4977.269411 5158.026467 6957.308845 6783.28454 8626.123366 8426.632857 8083.409022 5717.172602 5547.30902 4136.638262 6084.832169 7029.895929 8236.365064 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate 4.07813e-08 78.71634777 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54.49213832 409.3255634 294.8469082 490.5173207 574.246198 787.5516987 687.2034407 1137.206632 438.6665283 1282.948792 1778.758262 3186.500048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3353.554288 3082.226967 1905.520367 3445.094661 5357.571038 2459.267107 2456.789134 1935.258929 2625.173509 1023.40441 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.06425852 521.1161819 551.1629141 2799.151997 586.6317761 963.5111967 4.07813e-08 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid 421.6891271 248.5181652 1108.229826 1953.095699 1821.232818 3045.595848 3894.700578 1994.587149 1375.636096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.0299583 4.07813e-08 4.07813e-08 4.07813e-08 395.2233141 806.735097 1830.094834 2969.635414 3747.407949 2604.119762 1285.517704 641.3864618 539.695416 116.7611312 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55.28252304 4.07813e-08 4.07813e-08 2365.656632 1457.939231 1784.425313 2193.483411 2428.636861 1598.696021 2686.365481 501.7288813 1099.417476 1925.378956 1148.582832 2660.38813 1731.982838 1642.600448 413.0399063 1694.409081 4.07813e-08 1632.235727 Oleoyl-EA(d2) 4.07813e-08 107.5033522 4.07813e-08 4.07813e-08 98.89077953 109.9973216 4.07813e-08 4.07813e-08 4.07813e-08 7490.69215 5066.374606 2112.493315 4256.038254 1317.152251 590.7729335 811.4336973 2671.34406 4133.518137 96.29725737 4.07813e-08 4.07813e-08 88.96159891 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1235.678971 1224.267565 447.6997956 1075.602244 184.9199223 192.571599 250.1837434 4.07813e-08 7.28909695 4.07813e-08 4.07813e-08 94.37852531 4.07813e-08 4.07813e-08 0.876100354 4.07813e-08 4.07813e-08 87.67984473 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 503.5404977 4.07813e-08 6488.924809 4.07813e-08 AMP-Deoxynojirimycin 13505.90715 9885.266918 15188.22631 20527.85803 14620.87734 19714.11512 18125.40526 9911.000489 10207.12807 2434.735324 5581.841783 3322.111662 4107.537168 7268.413463 3454.564306 2229.930723 3848.767455 4286.280166 20687.53794 21643.05353 17096.84234 21051.68715 26286.76456 23233.51126 21544.65243 13127.30418 16936.95865 1959.494729 3724.437655 6317.582109 5676.988275 10160.85013 3674.05601 4102.350119 3644.492114 3708.962897 15560.03881 17302.27528 16463.82671 19017.34785 22190.45552 18773.77665 21589.70727 11794.40757 18880.17035 19559.78898 16728.78072 20054.79714 13076.86254 10380.57087 6792.85198 18246.7806 6670.140955 14603.31679 11(R)-HEDE 9171.66263 11582.91812 9442.87447 14446.15375 14475.67229 11925.41504 7772.140173 7706.800169 7180.664323 78.76827395 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4244.208778 3103.821772 5036.179719 5335.76121 4844.262293 4353.385431 3052.084276 3304.577233 4249.300273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.35023639 4423.15819 4658.363834 3477.746428 4260.927158 5581.90209 3281.546756 4593.420795 1609.019831 4014.323573 1786.875591 255.7375215 3694.76328 3540.49681 5132.7851 4.07813e-08 6785.229637 4.07813e-08 5279.886406 delta8-11-NeuroF 808.8007281 4.07813e-08 1091.830574 1464.284459 700.5055591 5182.307876 5930.106378 2029.426896 2589.591472 102.7053719 300.020778 177.1958345 178.250571 178.6297424 4.07813e-08 4.07813e-08 484.0548948 134.0962668 9792.562285 17196.39395 8761.188839 9108.808788 13434.42047 17427.96106 5995.197291 2999.600845 1400.309821 205.2803047 4.07813e-08 4.07813e-08 239.182057 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1912.162771 5301.144366 5509.279502 6343.061377 13645.00917 6934.511167 11893.9904 1815.451869 2068.126547 13729.14785 4247.907829 8589.318911 1435.68398 491.9541043 113.5944469 7792.786492 4.07813e-08 1860.668876 Theaspirane 1386.935086 1272.705062 1363.181888 1268.800432 1200.971626 1094.63297 1204.792997 1151.476783 1247.795785 813.6464007 713.8563308 697.0605195 901.062643 1041.997985 669.8795246 980.9335695 858.6561916 815.012711 810.3055674 952.7842335 807.4792739 986.0626646 840.163531 904.2061556 1191.313292 1063.27997 1027.283569 1151.509785 1023.256522 1044.881011 996.2458934 765.0589233 959.0400144 915.192218 804.5232517 1205.658022 1000.267809 660.746018 929.7922939 804.6720555 1044.638471 1038.070639 966.5025612 1067.728102 1093.683394 1019.320755 915.1406105 1047.874433 979.7970382 898.9952732 856.057481 1079.481474 939.2127949 1206.411019 Thiarubrine A 2622.069105 1336.565043 1324.966868 1571.622245 2351.433255 2057.675241 1784.932091 1340.48137 2125.010165 1103.826378 1556.993737 1456.464855 1182.383707 924.654193 1176.666571 1152.854009 825.1487202 989.2926175 1458.198055 961.0774002 1201.642398 1485.100972 1503.169781 1781.930944 1916.485929 1561.703309 2072.357514 571.1148262 875.9504554 600.1934429 1403.868137 704.7676686 1848.748538 1059.386032 1301.373911 1383.764029 1369.251165 1409.625857 1636.934663 1652.205851 913.2496813 1234.623986 1927.669099 1135.733112 1502.210425 2302.765437 2240.204515 1534.921997 1268.966949 1580.975111 1006.516247 1579.354782 1834.723504 1862.259406 (5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid 74051.63113 94632.30218 77185.79149 77583.88262 65138.04239 68060.35817 98424.02466 110804.454 154339.7625 53614.26059 83163.96608 72426.79069 52555.00244 53751.06915 50552.78897 93994.16704 79439.58795 114077.1007 4.07813e-08 4.07813e-08 19482.93241 6819.821097 47351.09041 6073.505793 11792.70371 3048.27604 2158.522913 37508.22511 68679.15121 83826.04492 119659.8896 45882.25094 57264.42024 37993.6813 85804.0589 95599.31072 8464.134445 4.07813e-08 8611.667919 9723.606922 8292.950781 15720.37851 10189.48071 1226.835007 10963.02847 67723.4151 72227.86969 70426.66206 64823.15718 61454.24392 19035.84827 92119.24566 153404.9258 79770.08009 Carbetamide 6882.158094 1765.849989 4497.373656 7552.33813 3355.902941 10651.87523 3091.730813 4347.771112 2795.439404 4.07813e-08 4.07813e-08 535.112025 293.8254391 397.5407562 324.4618476 4.07813e-08 1610.732335 938.9437719 13757.09903 6999.176114 15234.51346 12729.67956 8688.897664 9562.085575 7061.957915 10606.6882 8043.63747 4.07813e-08 978.2746625 4.07813e-08 862.2568962 4.07813e-08 690.7680838 959.471223 4.07813e-08 4.07813e-08 7730.439506 12714.81374 16940.75073 10045.64876 10651.63184 12677.39521 7837.69635 13253.37374 12408.16491 4256.966432 4681.960287 11068.77975 15612.15497 9965.6183 718.1509825 13450.94413 616.2672156 8553.376047 3-Ketosucrose 26217.84421 36940.27503 22901.26848 26534.3942 26350.80526 22949.69366 25076.28422 28941.6399 21737.70085 61242.24632 50203.1455 40534.9576 64477.3549 51376.43447 38099.29712 37921.29574 42877.75771 50458.09653 29544.82588 21010.32101 25620.99774 32532.69646 38880.80626 29681.7604 29222.63108 32690.61138 32967.96947 39562.31001 54257.02416 52761.33393 40020.36214 60361.88031 61697.9764 48391.22759 40978.46399 46423.48651 28014.68012 27886.52152 26881.09465 31326.56989 31877.82849 33498.58417 28255.80616 29096.21078 49206.2474 17248.0824 12208.57245 21283.59422 26050.74851 32875.97175 58265.87811 21577.27056 53706.32142 34997.93997 N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine 1829.290477 11146.35648 3582.559643 6869.552798 6332.138728 1535.516836 4553.369594 6961.478843 13379.32978 151306.9915 129363.149 105508.9338 164741.9183 106498.4623 101440.0809 96111.02282 74742.45276 126769.8005 2378.268149 1847.884319 1080.96655 502.5382135 3667.43882 2368.676473 2232.035511 1090.262944 1131.880094 104633.6831 126500.5373 152885.6244 82335.9115 155347.7109 120923.2864 103993.8052 67077.98401 129834.4752 2095.658642 2101.609941 1974.230075 592.3087064 1822.381231 793.0384678 870.0828125 4.07813e-08 1098.261885 3916.489806 3929.120517 1611.457486 6750.07213 15110.34005 141867.1084 1920.689142 121246.6846 4392.281978 Clavamycin C 11456.58751 46797.73618 5675.635773 14928.76859 12535.70293 14684.94164 18043.66171 35444.95182 40703.33958 130363.5787 107607.6721 83493.23535 143563.5033 71848.86486 85062.68254 60726.64189 62288.04924 104312.3703 1826.831231 5282.844542 4542.275806 1796.217158 10570.85938 8728.502731 4819.51295 3008.656881 2838.763867 95915.84143 105375.298 92061.70149 81560.80347 102587.7125 91046.0589 88675.82222 58895.12498 77908.91843 4377.067169 5953.457892 3774.586884 3268.142147 4743.174216 4448.74348 6926.449958 2569.453937 4346.771607 5567.176999 11740.20636 4585.825118 22019.893 49954.80068 112442.7254 14506.74556 87651.10898 16661.11692 N-Benzoyl-4-hydroxyanthranilate 4427.463847 5004.165529 5197.203884 5310.976674 4841.58346 4034.524167 3888.868789 3695.403394 2999.038657 3976.425062 2505.169945 3566.655275 3920.899559 3425.735962 2653.100219 4034.435533 3007.613531 3083.257203 2650.203423 2472.22312 2494.24951 3198.142404 2612.396158 3133.677865 2619.052085 4058.208533 3841.117055 1997.351625 4047.700896 4694.303335 3936.255724 3705.939187 3225.043956 2473.914684 4497.632928 4945.9383 4788.829981 3819.745203 3085.259256 2758.681751 2201.232087 2983.844886 2696.54068 4821.69434 4424.469026 3761.459152 3782.312813 3916.078922 2399.89823 2008.352094 3956.392498 3701.552977 4195.122826 5140.126551 9-hydroxyoctadecanoic acid 15495.27538 14557.20916 14942.01607 12592.42048 12720.7805 10136.93032 9871.489024 14233.13971 13726.22952 9948.673594 9174.675707 8446.226597 8735.856539 7723.149721 5760.230017 13271.61658 10465.93073 11812.41955 9320.083862 9376.785898 6699.064617 7753.716308 6411.949069 6377.634784 11198.98428 13011.71956 11882.29307 7371.017861 8287.153657 10331.91262 8626.826321 7955.694561 10395.5213 9855.069157 12185.40828 11577.41101 10654.96509 8507.9259 7692.978843 4534.295758 10433.12182 10862.92116 11139.96772 12676.18436 11024.63987 10484.43536 10672.9948 9201.474471 12478.86728 10304.73909 8677.913703 10994.92136 10205.08173 11596.09814 Carbidopa-levodopa 944.9944752 1777.213421 8557.266797 4636.492108 274.0548999 6492.035953 372.9952089 612.9833122 4.07813e-08 34437.12894 133078.2713 62830.49835 34188.95769 75784.7063 78211.5917 100135.2237 137941.1589 119070.1492 11765.14281 1230.318228 4.07813e-08 4426.997501 661.8806197 8453.074776 1712.835771 4.07813e-08 4.07813e-08 107276.906 76053.2936 202237.1199 55067.6657 147216.0779 65676.25683 15718.84675 156371.9063 136839.004 4.07813e-08 2901.113442 2400.535589 18501.81078 4.07813e-08 428.0887953 2582.533194 4.07813e-08 4.07813e-08 1381.385207 1173.367584 4361.185241 567.391076 647.0654037 113049.4235 7191.325395 29022.31037 3276.77648 Glucopyranosylmoranoline 4.07813e-08 1239.489769 24.49257741 826.8326146 1494.763229 1676.342482 238.7295912 4.07813e-08 4.07813e-08 1130.412818 4.07813e-08 440.3368984 1518.68955 826.7935586 692.0768661 4.07813e-08 4.07813e-08 4.07813e-08 89.71312279 4.07813e-08 557.9671889 1685.710296 922.8591354 242.215735 3169.343296 1112.383483 4.07813e-08 752.0469858 244.4066452 231.0935776 1010.66783 432.4689722 1031.096986 1872.626893 4.07813e-08 4.07813e-08 16437.95575 1796.369911 416.7426074 516.5431441 4.07813e-08 86.04538252 1737.687776 1246.217664 3003.459106 1031.576347 915.9777009 1623.494024 3328.869435 588.8838885 5909.410341 4.07813e-08 1431.832226 1435.816689 2,4,5-trihydroxy-3-methoxybenzoic acid 4.07813e-08 834.5840006 424.435315 425.124919 2997.109578 185.7687421 394.9791776 505.6453201 7457.731012 4630.522231 3325.376602 8075.895588 5648.10827 3117.723379 3197.232305 175.4287084 237.3804009 4979.429699 4.07813e-08 4.07813e-08 169.7043576 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 360.7565645 4.07813e-08 9551.898011 6405.312503 4285.800782 16061.4509 1702.820067 4010.075056 4228.147541 1554.983553 14165.81514 4.07813e-08 143.5895015 185.6967699 848.267543 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 203.2869082 4.07813e-08 259.8009809 2147.316361 5928.564143 4.07813e-08 13038.74622 693.2545851 Mesuaxanthone B 4.07813e-08 513.3012293 1001.178676 156.4274592 1470.350993 819.3107934 144.7184283 754.4638339 949.7829299 4.07813e-08 291.2869264 4.07813e-08 4.07813e-08 813.4402918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 719.313183 2290.77881 1263.508259 588.8913951 588.9803129 1652.74039 923.7513194 5086.43719 3530.821746 639.7024629 579.3828246 688.4575358 1478.679884 1514.257287 328.5167359 4.07813e-08 1470.83236 778.1934103 4.07813e-08 529.450173 704.8120583 965.3151165 1578.762191 527.2027866 1122.537491 5112.875978 1340.814071 977.2488896 1464.478265 309.0831099 735.2928602 4.07813e-08 378.25871 1052.52506 224.9621151 1129.416615 6-Methoxy-[2'',3'':7,8]furanoflavanone 3892.616216 2591.881748 2677.039425 2531.91242 2636.366805 2908.999707 1469.455822 2644.351477 2650.294912 3016.676741 2801.327161 2273.340436 3758.173475 1324.211038 1353.880145 1921.006171 3967.260707 5012.478102 5558.020361 5586.967017 4530.938375 3505.154417 5332.319698 5555.04255 4474.76844 4877.45501 5385.454851 1673.985672 1820.17306 4078.188983 1478.612787 3087.913093 1470.533812 1595.368405 2337.772517 2503.017595 2689.197286 4400.161333 3204.799267 4445.268 4301.859626 5402.281921 5009.262172 4717.783841 8831.945332 4338.844488 3628.743806 2892.815339 2365.999703 2546.894321 3610.471787 2984.101034 1768.428461 3758.433296 b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose 5994.560719 34898.16363 2705.938571 11618.31884 6210.079754 7429.131817 10677.05809 9113.136884 9407.266336 93880.00493 60633.12145 45848.11247 97820.6208 28133.93419 58589.71337 29079.37406 44553.29937 41203.57924 4.07813e-08 4.07813e-08 332.6592727 4.07813e-08 102.0760893 4.07813e-08 4.07813e-08 1018.197147 4.07813e-08 55197.90038 58420.34909 26958.52684 38776.50167 40697.45656 57275.64577 63690.64121 26430.92418 46916.41886 7029.580116 4.07813e-08 1355.973785 4.07813e-08 4.07813e-08 562.6302888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2546.451658 9416.646411 24448.89824 64945.54213 2144.312507 44573.34455 11117.2653 SQ 26180 340.8383364 4777.940598 1331.285769 2030.787896 2479.709616 973.5367066 1077.170686 4.07813e-08 4.07813e-08 1917.612919 1821.406427 1141.227725 3469.822318 3288.637933 370.9531518 1468.17739 5163.307142 4.07813e-08 2688.590219 3121.091459 1749.875588 1568.124482 1210.233076 2511.645529 225.5072296 1186.048937 1674.61956 1710.590935 2787.299774 15422.4171 11014.46001 4025.487946 13928.30771 5617.182965 3573.581757 8047.420132 4.07813e-08 1154.768867 1312.774705 969.5260088 686.5213169 2547.922092 2422.392869 3122.229122 4.07813e-08 4113.037022 3018.303389 1853.798116 1869.515402 3208.878406 4231.351146 6852.866867 1514.383552 3804.20965 S-methylazathioprine 3684.709285 6038.374355 3083.860224 7423.005421 5501.826129 2308.183774 2578.602954 2058.182678 1722.528235 5224.727491 1801.638954 3606.738498 5557.116328 529.0119729 1089.639747 2496.303909 486.5936895 120.1956071 3272.091761 1272.888196 1905.479378 3122.452938 1119.364309 650.6001299 3708.799942 2615.295621 1215.991453 7831.431286 5610.45568 4981.168644 5680.528322 4460.974441 7178.47509 8298.741974 3074.300266 4769.742506 9390.472086 3880.963022 2487.819389 1585.931218 2749.191566 5795.230566 866.9657715 3685.90288 2623.991089 4.07813e-08 832.9009704 2484.119236 5600.982285 8196.291021000001 5299.236445 3471.568878 5219.906026 2186.583219 Prenyl arabinosyl-(1->6)-glucoside 5204.745982 5394.308345 3836.661893 5787.946462 3429.180714 4868.476745 6543.495974 8945.279011 11637.88765 1476.329522 2353.715676 1700.861586 1464.922023 1072.826425 4731.708983 2796.829346 4087.683162 1903.22517 2077.499303 2441.468217 2633.861348 1077.892258 1033.715898 1756.206588 1102.012549 2384.408855 2883.389502 1163.900614 2095.896839 735.7224193 2348.263353 1276.719984 1788.563916 2998.747315 6317.158203 1930.311282 2274.987307 2543.668178 2740.280201 2192.075159 1231.946282 1539.389334 891.0815253 2101.369713 682.9425684 1761.445995 6584.09907 2628.403283 3490.331108 6964.474561 1284.812147 3533.567218 1516.937622 1811.569126 (R)-S-lactoylglutathionate(1-) 763.5951944 2752.576517 4.07813e-08 309.3975008 4.07813e-08 4.07813e-08 219.4297215 166.5265101 301.2810103 9481.055658 9675.211306 6476.106023 9434.545974 6995.052354 8316.648248 5849.304527 12613.46861 11195.99612 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 279.5214724 4.07813e-08 6842.735839 7330.346959 10408.09141 5852.516503 10407.09921 9566.392568 8183.814624 5130.231588 8905.950406 1662.59898 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 146.6155247 4.07813e-08 4.07813e-08 99.02307345 389.5896594 1044.725533 11194.09807 280.3047559 7483.246181 181.2933439 Kammogenin 12401.61418 3522.898007 6626.209078 6433.106285 1477.212093 15365.96749 1888.283093 2680.948173 1666.092179 405.6562531 710.1522664 366.4935061 11.70502312 2885.848836 8373.734485 4.07813e-08 6659.001388 14143.84251 6188.553111 243.6191776 92.3312066 1346.151081 310.8366023 2837.995235 907.428383 1.472392983 184.7343797 262.923052 337.8916007 4.07813e-08 327.2269976 487.5836584 4.07813e-08 103.7169811 200.2733863 1854.676645 4399.468091 459.5143265 4.07813e-08 991.6738333 1619.081623 489.4778779 7828.019607 225.7807727 156.4658698 4.07813e-08 25.31839522 56.31477932 539.2386226 4.07813e-08 4.07813e-08 55.61335769 17.53347075 10534.55962 Theasapogenol A 327.2905499 289.217152 4.07813e-08 20928.94624 400.6789917 14226.7465 5148.388522 4.07813e-08 302.9989095 650.8873049 636.9413415 469.797633 533.7879449 220.9201952 243.2773599 4.07813e-08 4.07813e-08 4.07813e-08 5267.757232 8232.4402 1943.652421 48152.15047 10283.22479 78647.02297 19874.09152 1298.545283 6743.138412 331.0321874 872.1050784 4.07813e-08 166.1086938 297.1177707 319.0865592 349.3706756 258.3966389 4.07813e-08 1831.35677 448.7701404 475.1550226 24127.83194 39371.81455 7352.75694 53361.14899 344.3878988 1466.365541 3985.016676 5561.834619 9451.036123 2020.798977 181.9063564 193.5549485 1414.194926 92.90624999 540.5122782 13'-Carboxy-alpha-tocotrienol 597.3120354 567.1810621 3714.084526 2437.754829 3015.701832 1181.607068 2503.250237 2136.184299 3874.079924 170.4510085 451.711321 708.0749306 323.396639 337.5094237 196.6012687 4.07813e-08 641.5686376 678.343927 4447.60013 5759.80797 5249.238513 4025.651104 3337.01209 5550.287833 3611.320691 6517.505758 2975.280569 4.07813e-08 4.07813e-08 4.07813e-08 158.316324 64.62163431 4.07813e-08 4.07813e-08 4.07813e-08 162.1157651 2250.786996 1977.875633 1850.053564 2006.054193 4481.729043 2549.169936 2178.725847 3988.655164 3160.131759 7710.647232 14540.21033 4192.398851 524.1127691 1266.787168 4539.167749 4873.118704 929.1149114 753.5032519 Homodolicholide 97.16113209 1899.183736 1677.050571 8806.479525 2597.948032 5666.784213 5001.748327 1244.464234 877.1575956 457.9364189 389.4483131 2249.164803 542.4588173 4895.503145 8152.919063 4.07813e-08 37433.28345 1870.449626 2416.083046 1417.667401 1172.275324 6891.404509 2096.026958 6811.04802 2524.908677 1743.74562 894.6196187 1203.236905 4.07813e-08 4.07813e-08 2380.726249 4.07813e-08 4.07813e-08 4.07813e-08 2264.20516 4.07813e-08 997.0593654 512.7572151 1013.302345 2380.051375 4606.369601 1586.765882 5056.539891 554.7902461 808.5773043 3490.149258 2931.635781 2285.591333 1096.466096 4.07813e-08 692.3988438 1028.858494 4.07813e-08 215.957568 11-methoxy-12,13-epoxy-9-octadecenoic acid 5641.979192 4767.075453 5564.772211 5436.993209 5939.266364 4081.473408 4750.867086 4594.758821 5820.189804 3591.192981 3517.293786 3354.792685 3493.933855 3272.465675 3025.101537 4503.068257 3142.515779 4355.088284 3742.614261 3859.997819 3903.103762 4124.045408 3636.78161 3201.924799 3300.339681 3736.75171 3807.494284 3194.980179 3901.633357 3254.877621 3904.989796 3422.60231 3746.237631 3321.272855 3552.674416 4087.525539 4398.048379 4190.338636 3377.418818 3289.421418 3390.73243 3179.596183 3319.765843 3563.582589 3627.239885 3836.868684 3927.210755 3533.278346 4146.217304 3710.56169 2689.543766 3182.960287 3748.322408 4762.369677 Pregnenolone acetate 2.659092779 131.1064732 189.8948313 171.5660995 0.192665591 341.4137719 266.8931617 0.006961303 4.07813e-08 4.07813e-08 72.63589595 1.270065239 4.07813e-08 0.027559771 0.170707329 0.635851372 4.07813e-08 4.07813e-08 753.2677126 605.0867184 667.6494854 749.007525 912.4452705 2004.593836 765.8044878 2397.898493 5732.335885 271.3340497 0.635154423 500.8217475 4.07813e-08 404.0854227 4.07813e-08 4.07813e-08 4.07813e-08 0.06108557 98.5252 821.4816006 225.9683177 737.4102293 657.8479888 335.8576358 2113.531951 1907.628123 4221.131882 3225.846456 390.8801874 92.99102767 262.2064882 0.000804201 0.913279196 0.981675844 220.8461806 1005.861699 Bicyclomahanimbicine 1029.80362 2674.35595 1758.032729 1246.643673 870.6541954 2250.546285 1699.671868 38.84675984 4116.298413 4.07813e-08 10.42311768 4.07813e-08 4.07813e-08 4.07813e-08 6.806359421 4.07813e-08 10.36875509 4.07813e-08 974.6982949 1593.426846 2312.614839 3282.856304 1455.06782 568.825829 1686.030776 4.07813e-08 15.59636375 11.53659089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2882.408853 2164.357087 2841.526491 1190.886511 1561.691877 1601.697738 394.0713447 4.07813e-08 20.25284423 279.3310954 2725.188738 2805.380646 1299.78041 942.991068 181.9878129 1739.576532 4.07813e-08 42.08570441 Persicachrome 687.8821146 4.07813e-08 610.390623 464.8233792 382.4521903 175.6330709 834.206413 1570.583031 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 183.2949479 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3354.863989 6048.030996 2213.215178 3539.134456 936.898281 4609.747234 3467.085755 1018.92355 3490.652552 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1796.875435 5731.055535 2060.364397 2250.811571 4377.519735 3683.224193 6217.69397 4842.508506 377.45558 3380.61941 991.3357853 3508.654513 1448.554814 1592.966529 4.07813e-08 4541.927897 4.07813e-08 2591.809542 Serylleucine 1979.647866 1563.001094 1674.486664 1974.835765 1802.346343 1756.202502 1538.472449 1798.144683 1897.75671 1146.892429 1424.382533 1233.687845 1131.302686 1165.741549 978.3323716 1249.051506 853.8399186 1390.158004 1453.921249 1261.42725 1014.750511 1364.377069 1129.998431 1611.803921 1192.872825 1290.225772 1216.273142 1279.911864 1161.386004 1601.390327 1512.440238 1298.924543 1040.555101 1121.466015 1959.313874 1439.508674 1510.529735 1156.212306 1327.338552 1130.775367 920.477696 1378.501254 1049.525112 1688.852346 1486.026549 1508.235633 1281.79676 1799.705536 1735.44873 1361.963185 1173.898119 1776.057924 1407.394078 1388.992694 2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone 992.8310182 3768.275702 6378.557631 5886.857712 6434.873363 3278.761271 3683.341337 4267.254463 5673.172599 7898.388012 17086.51144 5040.55947 7247.494692 18607.42554 5955.51932 12357.26868 73064.25692 8595.498326 4620.091406 3024.466054 2961.986729 2775.372522 2270.058998 2239.0893 2216.273775 3823.643968 159.8774651 2346.801983 3005.785704 1482.715336 2253.982776 2128.593884 2438.168328 812.2152669 5458.829666 664.025739 2065.858981 880.9398987 2014.114479 1991.68086 4586.048425 888.0159103 1336.937903 3548.047417 2667.164899 2730.241737 6343.470699 1526.87687 1795.431241 862.8611248 3451.151751 1997.151123 1994.196354 490.4748391 alpha-Irone 1369.864802 3194.091075 6290.697649 4980.200029 5116.49508 9715.611203 7413.274132 6164.229829 5551.614872 192.4782803 84.56921572 162.2099163 171.5024451 197.2663758 341.2207901 4.07813e-08 271.2851409 87.85284086 7404.545186 7521.066476 7192.512276 5120.623152 5256.838459 5654.469387 4527.066212 3822.914629 1351.57777 151.7495726 4.07813e-08 83.29032578 325.9276267 112.3806573 70.80738812 42.12773944 129.6035956 194.8275239 5716.351519 2489.15273 5438.898283 3088.720376 5637.533148 3394.336357 4141.372681 3153.718889 1117.738771 14801.04429 10823.43597 9290.765222 5393.129305 2342.568658 512.1053822 7592.972456 110.3919325 7141.253563 13E-octadecene-9,11-diynoic acid 20603.71467 22388.44373 32458.65003 26214.92576 37692.19032 38536.60207 30384.78178 26340.9993 29313.32707 21904.02643 13519.19628 23279.58044 19866.57697 22610.20723 29289.10752 16270.34737 38710.57836 21961.18717 33298.32642 32665.4532 29631.99716 28766.47963 29287.83408 33545.67114 23687.11538 32462.87287 23141.7846 12088.13171 19149.46877 15389.41142 24160.46098 13078.96037 13438.99694 19855.92194 24692.3317 21171.64639 27337.45715 22887.72413 24984.06361 24122.90682 29584.87511 24262.46822 32448.47778 27734.69632 26882.96085 44168.07333 37240.4795 32823.41375 23260.39974 18145.83345 15128.16414 32025.52791 19433.59999 27426.98956 Carbocyclic Thromboxane A2 4.07813e-08 4.07813e-08 4.07813e-08 274.1893747 4.07813e-08 211.2698364 4.07813e-08 141.6891445 170.0360572 4928.482655 1015.277472 339.6232854 4171.343737 191.3853817 203.6915397 578.7309894 835.4528423 217.5669843 6245.616488 3237.465609 285.3654193 690.2925763 260.8903821 2641.184958 435.809039 3890.539629 302.3595829 964.851999 2521.736976 995.2558261 2787.555971 1893.944896 2879.729156 1316.167798 2348.392949 489.5680886 106.1187349 727.3646211 103.3904937 253.6186541 928.4514069 117.1159505 1016.228478 6008.434714 790.447773 2223.949364 5685.654267 692.5657836 4.07813e-08 4.07813e-08 549.616534 545.8203367 2736.746652 4.07813e-08 (all-Z)-7,10,13-Docosatrienoic acid 9300.279509 9770.742358 8987.505386 9829.075865 8745.171439 6847.729061 6514.77648 9199.814256 10173.84907 7162.616069 5488.266446 5832.730727 6305.530567 5656.694282 4395.559481 8337.716849 6549.239584 8448.422864 7328.241345 6788.91871 6025.291301 5758.027984 4742.229122 5357.545514 6947.942679 8601.996202 7354.842803 4935.536558 6549.410865 6481.637675 7017.458967 6150.960495 6980.087874 7348.299392 9358.170844 8092.630484 6909.612165 5991.681079 6657.946403 5146.055309 6394.392261 8849.829342 7548.543638 8881.099922 7219.957746 6704.866769 6883.17391 6982.326761 7749.651948 8151.602616 5932.948149 7544.981284 8179.888688 8999.960328 AL 8810 methyl ester 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1907.730585 3097.308461 2047.948025 759.6307016 1501.758075 1060.108764 26672.83408 8386.555431 2337.723256 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 738.7279978 665.4893962 5392.151614 766.7375098 4.07813e-08 2057.031587 438.418516 8862.306057 3198.234932 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 212.1364442 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1799.008322 4.07813e-08 MG(18:3(9Z,12Z,15Z)/0:0/0:0) 200.802505 4.07813e-08 1093.335452 448.3370689 796.2548231 249.297097 524.0005031 4.07813e-08 1233.665554 9492.315944 1695.325843 1331.158564 6029.666512 2153.865057 341.2312616 1004.238655 456.9422582 598.2526219 4300.915136 3835.615435 1112.93309 1813.36661 494.2022145 3475.352513 916.2879417 5840.336355 1409.992856 1437.01692 3185.785601 1451.102572 1782.726881 1874.387839 3076.976127 157.505283 2803.108749 326.7257889 822.532085 2137.998861 263.9065624 271.6373066 843.9338133 4.07813e-08 1716.111051 4305.624729 4555.075634 3472.253545 3191.87745 918.3845246 4.07813e-08 171.5112381 1070.325579 519.2627764 2640.630889 152.9324596 O-(2-tetradecenoyl)carnitine 11368.84228 11602.04314 10945.03938 11569.30112 13340.82872 11792.50714 10821.30897 9178.463566 9288.63466 8974.098586 9322.823002 7614.877786 7820.653493 9554.85447 6585.654345 8998.206702 6482.757886 8509.424028 7902.938898 8466.459713 9954.669672 8829.039297 7278.138169 7894.275773 7305.381638 9680.242755 8639.556331 6694.162309 6700.702915 9359.933334 7943.098782 7057.312372 6447.079401 7102.753858 10132.07392 9298.190268 9724.17203 8573.726737 8776.357135 7927.194853 6554.836702 7615.63307 6251.089051 9958.912977 9021.27486 9817.738613 9694.645694 8270.308651 7623.214772 8041.330008 5783.981818 8209.350947 10819.04791 9693.479139 12(13)-EpOME 12664.90341 7817.512478 7777.203806 7115.938771 10795.85651 10687.71899 5655.358187 8003.512451 12299.3584 4663.745047 7999.395639 3962.242315 6399.777131 6694.020787 4273.344274 8491.352351 7962.988522 8907.452151 4174.14693 5836.458114 5397.558459 4715.156385 8028.507134 3129.96164 9448.035153 5769.454419 5334.40127 3720.348966 6686.167693 3526.008231 6557.834292 6231.597545 5067.309635 4813.784056 4951.629773 11723.16416 8138.677493 6294.019311 8089.736949 4518.2638 3450.223562 6036.522253 7863.023805 12585.40488 7571.405082 3984.328745 8096.334386 9561.389979 7424.910111 7819.878028 8062.247536 3542.398499 8458.822901 11538.01064 13-Heptadecyn-1-ol 6496.523976 6111.89333 7858.502715 6591.278632 6957.062109 6327.817474 6119.851213 5859.09137 7558.309491 6228.610801 7932.796389 5109.652509 5339.442111 6422.920374 3753.142494 9675.387655 5185.841904 5087.870993 5309.315916 5145.676652 3719.138615 4849.581636 4468.394026 3979.245388 4317.537698 6551.535007 5689.188892 4240.775379 5015.184589 6031.215478 6482.48931 4543.267277 3097.854337 3796.035289 5592.263779 7158.377994 5248.339427 4991.499095 5395.653781 3625.428432 3554.981468 3525.680242 4904.308586 6249.743593 6128.775135 5797.997566 5518.419407 5925.499821 4900.26925 5352.683589 4334.903236 4896.095808 7995.207246 7202.300463 Artemoin A 299285.7108 282356.9508 266099.4731 302295.3846 282748.1893 263333.102 273497.5632 238723.7821 265245.2954 197630.2293 195284.854 175623.3379 202157.817 201119.2712 170067.0083 214211.6312 183484.5981 196616.9052 182184.4606 193597.1899 192669.0791 204630.4399 192482.3585 198859.5437 214209.1204 237425.9703 219757.0844 178202.7857 206903.5349 231357.1819 228593.4297 206964.9763 172445.8405 164530.9351 212748.9034 223153.7561 229619.9976 208052.3339 220506.512 192349.2317 170088.3386 187991.9912 177399.7506 238308.2717 217833.0066 245678.0774 228514.384 230441.8933 220362.0803 209541.5991 161899.2319 224352.2606 221134.6692 267394.2497 2-BENZOYL-5-METHOXYBENZOQUINONE 20253.18482 19646.03361 17919.77423 16800.67045 16851.50244 12555.76348 11251.47477 17253.62997 15593.91299 9998.032078 9542.371869 9922.645961 11500.10871 10085.14393 9687.609652 13091.49037 10320.7954 12643.37339 12537.88198 11018.01677 10136.54238 11913.87532 9534.313578 10572.94395 11780.09191 15358.92828 13155.60924 8908.941764 11921.51569 13319.87165 11557.77319 10626.22905 9946.259391 9663.325029 11717.39538 13224.07015 13873.14219 9098.728292 10565.65586 11185.05141 9169.901547 11003.17288 11407.52363 14821.19283 12152.34476 13846.51591 12370.75984 11000.04485 11035.64018 11826.57018 9565.052607 12872.22579 12840.22345 15252.13367 4-Hydroxyaminoquinoline N-oxide 5825.100027 4215.886537 4349.929238 6861.554812 4263.621433 3226.000908 4143.90911 8983.536111 7916.094439 147.6310609 51.45457234 236.5076522 120.3919276 279.7112126 150.5248505 92.10727128 132.2234202 575.0648131 3595.306971 4079.354452 4596.502115 1480.724984 4152.018792 2428.595489 2170.010539 1509.583853 2506.595884 402.8122405 212.9223257 221.4638606 536.1231246 341.4524652 86.09947987 191.4116557 268.5703686 407.5678154 3164.8126350000002 3366.923016 5357.15652 4413.480486 3570.876379 2570.717268 4127.453364 2508.817802 459.9574401 5164.67795 2514.599708 7430.944688 5395.285742 4412.513411 169.2818093 6272.743104 279.9503938 6406.807084 (S)-beta-Methylindolepyruvate 1513.009057 1904.097206 877.8667143 917.6719694 861.7026996 1003.80409 1747.066536 1384.745701 1468.13114 4087.411161 2286.208208 2155.913753 4074.205783 1384.899916 2681.574727 792.4277993 1576.374677 3929.450516 871.2420986 1075.372371 1194.73593 1335.889182 1718.433417 973.070518 1269.066912 906.4718406 1175.759945 2224.645344 2976.259546 1438.098777 2345.451812 2469.457234 2078.807209 3735.694324 979.4688 1121.732121 2610.209226 1067.076553 688.1003071 1699.759202 1304.584631 2086.55031 757.585766 532.8880274 1136.696222 1232.908474 462.1196393 780.9230707 873.9882432 1874.183263 3835.661307 994.1734136 1977.640258 1049.086095 Gamma-glutamyl-Glutamine 4.07813e-08 478.9141747 857.864601 209.3565513 919.6403837 4205.272565 1098.980618 710.8775144 430.5740697 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1131.647527 422.4796016 2844.439051 708.4904334 3391.445787 1976.850308 391.7528922 4.07813e-08 3789.327998 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3067.950626 3050.898499 4205.756921 821.1518837 703.1661571 2168.983721 4.07813e-08 4.07813e-08 827.4345975 256.7509089 297.3445538 322.884557 283.6884469 4.07813e-08 466.9392819 4.07813e-08 112.0188397 L-Thyronine 2093.336515 1827.266794 1210.744436 1376.19578 564.4279116 481.058081 1106.804 2929.246763 280.5406057 4.07813e-08 4.07813e-08 47.7283682 4.07813e-08 4.07813e-08 96.85495137 4.07813e-08 4.07813e-08 4.07813e-08 2017.00581 639.8165169 2632.224089 2208.193846 1389.887999 21.59831807 1700.014441 5369.093333 127.0615126 2219.556765 106.1350459 4.07813e-08 1316.83263 39.46114447 113.9376303 2412.327736 66.43918973 133.6323353 1830.707115 904.2533376 2278.350736 228.195252 1495.634355 2085.118432 4.07813e-08 4731.614829 1496.358859 135.7707899 4.07813e-08 599.2668816 1416.676276 1591.69809 53.31626247 313.1087621 66.1703807 169.1276975 Acotiamide 4.07813e-08 7694.698998 4.07813e-08 1114.167975 4.07813e-08 1788.758144 4.07813e-08 4.07813e-08 704.2228332 64914.09796 49783.33251 39952.47625 67803.1581 30869.79108 43774.57974 33583.59012 28418.46897 49002.10453 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31.33891221 4.07813e-08 4.07813e-08 51574.66474 53645.41557 56609.31661 34722.20907 50478.81605 38273.92899 53889.72269 22991.44523 43464.98502 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.15119602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1111.71283 2601.978944 5628.810098 44354.97916 63783.78548 266.2837575 63093.41711 1143.805647 N-Phenyl-1-naphthylamine 586.2111882 776.4428174 834.653971 235.81064 381.3489791 1216.568085 1384.731102 2213.183929 1412.79983 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2693.314161 2256.439367 2749.587816 2564.745167 3799.177212 3750.457045 2020.075413 4118.199492 2740.581777 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1295.798414 2667.770528 1984.782351 1801.831865 2861.631487 3153.656069 3511.713912 3707.47987 3785.76166 2090.415239 1434.017206 1846.612198 1592.660609 939.4487917 4.07813e-08 1615.996391 4.07813e-08 1461.698409 Pergolide sulfone 4784.4519 7083.423268 4294.018319 3583.512619 4181.285539 6331.775496 3740.0375 5433.053051 5569.477986 41980.8842 70548.4427 30540.17739 43772.562 19737.79532 44867.03207 63448.67974 42796.87104 29644.43023 5903.460775 5471.590996 5125.270551 4140.689835 6704.233603 4362.647059 4166.198754 10299.56814 5751.28123 28224.03589 52684.19532 25343.32507 47108.80919 24467.56337 45808.41697 74247.89865 48753.26908 45911.49893 6505.652595 4331.064958 6677.00495 4371.150429 4117.603379 6158.895808 5112.180243 8760.87552 7603.315649 3006.037617 2389.108955 4360.410267 6351.775513 8858.220417 36932.9086 5944.163151 21180.46503 5509.654763 Normorphine 6-glucuronide 2565.489315 2177.604347 4805.07724 6713.882369 11840.27146 10310.73774 5363.504517 5423.93247 3686.86493 5419.187837 3157.901252 3431.40434 5533.510103 4338.369927 911.5683377 3887.054621 1578.257774 2081.059231 1460.399864 2390.26621 541.6674513 4.07813e-08 3087.597091 675.37501 2054.549789 4.07813e-08 3426.107136 845.1384669 2229.801094 4.07813e-08 397.7804708 333.0313739 1279.557792 3754.55659 547.9772046 1539.924767 344.5800819 652.9700574 1726.995827 2270.010337 1333.590094 3492.869106 858.6115426 4.07813e-08 4.07813e-08 4878.560429 1089.063059 2467.435051 6235.273298 8218.404072 696.049311 5863.438348 4.07813e-08 3705.57988 Kanzonol E 4645.12565 37587.55892 408.8021447 1852.32959 438.3188446 4879.422294 2384.162876 3060.565628 10971.67152 21968.35414 31402.39423 44900.35617 26691.74361 29644.17054 13701.77831 1555.98411 1899.473835 509.6242823 516.9710096 1776.634123 918.49364 676.1115656 815.3506222 1307.126845 1220.486781 465.3753939 737.2640346 42222.50291 2571.219669 228.7256606 1610.229368 750.6949273 13437.45365 3258.615384 3617.578679 2254.46945 759.9955275 956.3210139 352.0895603 1015.242182 914.4585335 1755.204751 632.786209 407.7871162 677.4789505 1441.960304 24270.01726 12579.78034 35633.83623 53936.28885 10626.49682 10194.91048 75342.64823 18028.03495 Cimetidine 13.67215179 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2266.652741 3432.351473 2068.628396 2153.564154 1846.405247 1173.317571 903.8499594 2483.378267 1601.346746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 100.4501128 4.07813e-08 19.54629494 864.5003762 1998.222046 1435.293661 555.8767089 3059.435521 1228.964631 1697.610249 1330.079493 823.2146219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2731.392688 4.07813e-08 2369.971053 4.07813e-08 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside 4097.524362 8992.630276 27215.13866 43012.99114 30604.84232 14061.66857 11248.00677 4.07813e-08 319.7802089 12434.23425 12570.58389 11707.46642 13489.39445 7317.455716 8220.382185 9331.895267 4325.405033 7023.105669 19482.80324 13325.35514 18600.14007 23168.14269 14651.31883 5427.131299 12563.68145 21668.93907 16942.86156 5626.388982 7081.027261 11984.9658 5801.589011 6838.632314 9642.476571 7893.272227 4406.027089 9223.757215 12531.81057 17838.9992 14633.77991 16088.8939 18725.23636 16572.58722 6416.011307 22910.49773 28303.5274 2670.061425 5737.044638 6708.253169 5971.459281 6012.335863 9645.904595 5512.721643 10483.91446 2565.271024 Catechin-4-ol 3-O-alpha-L-rhamnopyranoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4978.144027 4434.846298 8072.398953 3218.848782 8875.912557 5806.561912 4927.527184 2174.378063 5633.756599 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3790.616182 4504.602389 8938.070044 2613.447715 4418.140982 8927.115605 5743.452884 5256.701104 6347.276293 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5574.467448 4.07813e-08 4520.471409 4.07813e-08 Tetrahydroaldosterone-3-glucuronide 3364.602662 6976.333948 516.8798324 558.4542022 707.2919164 4.07813e-08 2940.976333 573.6303126 1049.510088 18396.23783 19947.42907 14081.75713 21129.48237 8807.394539 15591.67149 5563.896568 3779.122148 4653.907364 257.6366314 4.07813e-08 76.65987738 4.07813e-08 4.07813e-08 4.07813e-08 441.9301099 4386.718058 4.07813e-08 13017.13107 17061.18338 7714.452995 9211.145561 9010.026662 11724.14443 15268.49851 8059.807269 6356.590413 3256.916323 472.979233 322.1663885 4.07813e-08 4.07813e-08 140.1915052 4.07813e-08 1518.515338 386.6224268 4.07813e-08 365.1527373 106.4590728 875.0343952 5140.338292 15010.91943 788.4803128 11695.09332 4.07813e-08 Lasiocarpine 1188.538942 4921.730578 523.8665108 1008.269527 48.71070543 219.8688643 3235.443616 5190.932512 4717.969819 92783.66191 68295.0774 83175.87712 77231.2309 11328.90474 163961.2281 68874.44825 27902.9616 50415.36267 328.6673091 4.07813e-08 307.6887205 439.7588544 283.797001 2.238568393 314.4187499 306.8977937 34.97153034 210177.1826 74426.57888 6884.710622 85598.75236 6577.38705 28317.93768 183101.816 127627.4553 55048.08439 1084.996306 220.5163432 1127.924498 939.8209342 754.5211088 1152.956444 271.433511 294.800585 6.648047226 316.7218313 1714.982393 856.7779469 3123.772046 20342.90526 47086.68165 534.0368251 54187.24858 759.2712821 16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 71004.18801 67343.35802 48127.1287 69620.83772 41485.52328 65971.5266 22965.02664 29205.34312 49051.60463 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64539.37032 78286.48298 57607.4805 73764.39818 92633.21422 65491.93989 118343.3324 48075.81815 37378.17771 4.07813e-08 4.07813e-08 4.07813e-08 537.7065402 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 214.0710929 89893.48244 4.07813e-08 68331.507 4.07813e-08 Melampodin A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6137.435902 9043.968319 5542.462593 8600.62755 6016.700812 1838.464999 7155.363055 8205.260758 6078.603462 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4948.268664 5451.056079 6614.141762 2123.911189 9105.657164 5347.219346 2926.207669 7878.418394 5626.363821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4320.803131 4.07813e-08 3147.599273 4.07813e-08 Talbutal 1532.595019 1420.875716 735.3053045 475.5010488 794.8211253 1485.861082 674.7366141 1887.153295 2425.14122 641.1818845 571.2970828 168.8006523 439.3020274 354.8708088 134.2452022 85.95399766 407.5821759 725.1009456 1587.671302 1491.562826 1059.63959 1739.524471 1859.762178 1373.695835 699.7572346 1247.849265 1550.914483 104.8173516 571.2158686 587.1168139 312.394693 793.9692574 431.6011565 232.4185681 4.07813e-08 84.23311302 904.7970187 1047.121353 658.8161393 848.84363 1274.773597 1054.763162 1683.776867 846.5703288 3082.307433 1348.211541 793.0259857 1003.838091 909.441783 813.1740104 383.6231277 1245.862041 449.7176543 1324.723817 Hydroxyflunarizine 868.0873336 2793.208503 114.651162 477.8749265 643.2750854 1518.815865 950.5590713 1114.704222 2919.053588 6483.101794 18138.04024 39418.27912 8084.758311 15028.21473 12319.79273 1342.464987 1016.34117 2311.726459 442.2124213 251.7987945 977.9551168 161.2763721 298.5757855 597.8385757 326.2982845 69.13729167 1161.509856 8177.393312 3581.460789 2014.285467 2315.04637 1082.668898 7949.392869 1868.097773 1225.957561 1979.30405 684.9451013 363.9568889 64.5251902 505.9119624 745.7026464 557.6907045 518.5759543 759.3276568 313.6219923 416.5839446 2275.889219 14.6952044 815.8496028 3366.999981 10208.23728 822.315331 36495.21925 2516.406371 TELMISARTAN 5750.258814 3656.760917 2342.735359 2828.478052 23640.03428 9664.965474 8141.039215 8861.906713 4472.996963 923.3948187 13.29252843 643.1800234 757.4812062 0.928890862 1596.3686 476.3495487 78.21003069 281.4334597 22.59998602 170.3093926 338.012717 278.361954 4.07813e-08 2027.61008 708.9087333 4.07813e-08 4.07813e-08 3117.248521 1070.899577 118.9008829 394.3349142 738.4608082 795.6927435 1935.679987 385.7824896 733.198081 4.07813e-08 1204.88551 3671.390617 5217.107758 4.07813e-08 210.8023747 3224.102073 4.07813e-08 51.66359847 2517.437363 269.5717508 4.07813e-08 4760.843486 3426.065715 913.2907314 1873.88873 26.40149264 853.8736562 Mukonal 179.0510117 133.0210139 675.3273912 983.1895104 1004.477163 424.0390083 628.8997884 4.07813e-08 4.07813e-08 742.8577144 2565.626756 2298.10232 660.1925749 2031.713368 861.6781925 2129.653385 157.4981638 513.5282612 155.9972318 152.9538789 479.5565655 411.6904884 656.2923856 213.1036969 447.6053949 311.8030979 555.8955021 69.58097707 323.5730163 1519.774687 71.29929253 855.3898539 478.2833552 199.0202081 341.8299473 898.9662386 4.07813e-08 240.083487 344.5326407 333.7983535 283.5838829 647.3697537 290.5719139 381.8597566 321.940736 137.4492231 4.07813e-08 295.5312368 4.07813e-08 324.4146588 302.7012252 202.2923263 705.0240407 352.3978409 Elaeocarpidine 671.0386471 496.8932534 417.7458734 352.1671934 295.27329 456.8083865 493.8183332 467.7626152 268.1722623 6165.151621 5198.9564 8168.79934 6984.425032 7127.811154 5851.554728 5165.114167 6244.95287 6861.068867 552.4825437 864.3193703 594.9141102 590.1110534 707.1280867 1209.840061 801.7926654 637.3018604 674.6635675 7406.347769 6004.504109 11334.95988 6454.934626 7105.843078 4623.391726 7142.127937 4542.219418 10461.97167 769.0229573 692.3785858 448.0473959 672.1828434 1281.36726 939.9631114 907.9942544 720.5823819 1196.011073 454.5189084 117.9287184 383.2706358 275.7992032 387.4004043 10062.84327 350.906234 5147.722889 806.380101 2-Benzimidazolinone, 1-(4-piperidyl)- 6233.55639 3742.24611 3638.661653 1485.993385 1711.719718 3075.101463 3054.36825 9544.685836 7912.085268 2313.016539 2472.48463 4786.551071 2506.074944 4089.207959 1509.206535 1628.8973 5092.674964 4226.313995 7406.453638 6483.416063 6227.722964 7090.837216 7335.411192 7080.916346 6803.56751 6464.140518 7826.604606 3027.947247 3929.524482 7152.890612 5789.768581 5192.9202 5503.360351 5340.451596 7301.23091 5704.183813 6137.755028 7043.353221 6705.585501 6441.380796 6604.090117 6448.88866 6915.149354 6733.864868 8792.256832 4716.773776 2857.569069 5621.976052 4897.556014 5073.337025 4034.392346 4917.026466 3872.369775 4629.714387 Glutathione episulfonium ion 4.07813e-08 4.07813e-08 4.07813e-08 304.3136256 456.9192184 142.0037359 670.8533331 4.07813e-08 4.07813e-08 5237.722272 4867.786733 1435.909367 5609.640383 1197.037582 12463.75855 917.7857311 1282.756619 2249.206745 321.6610692 135.322318 33.06049014 157.9877255 61.47197689 130.1453303 243.4281902 239.4329436 231.2317367 1274.045918 1174.722034 2920.175378 898.2567401 2135.513863 3050.533265 1072.01636 632.3587653 1423.145206 207.8785172 21.62993562 137.5099521 4.07813e-08 116.3698494 27.06906112 4.07813e-08 178.4538198 229.8815024 4.07813e-08 252.3929026 149.5091459 143.4088761 36.25429208 3112.342708 62.93018703 1600.503294 4.07813e-08 Latifoline 789.8482579 2062.182015 367.37117 225.3757369 495.8098686 824.2985015 694.7852379 193.3893279 547.9845268 5081.981624 3347.619441 3798.557433 6213.341757 5706.716807 2404.684483 4250.856154 2901.218015 3667.021509 2111.317349 1161.546477 1226.197582 1542.012352 1046.201481 2590.005339 970.2435077 1790.607871 1939.381449 3512.274689 5962.95625 7946.152321 6930.227588 7474.286434 4063.34108 2956.050475 2134.829844 4672.210875 868.6445206 1263.534451 461.320097 1349.890852 2433.010011 4066.991793 716.7219962 2046.43587 2451.799316 402.3475506 1032.942841 1488.214234 1653.027629 1020.973205 5298.186287 968.7513938 5458.24509 1284.792357 Rishitinone 1885.025042 841.5029194 1747.078975 931.2993354 1239.82593 2856.754691 2309.986868 2144.817968 1526.856337 459.7839602 269.5108962 119.6868655 164.4100079 347.5924101 391.5182464 437.6060976 222.2523863 707.2911141 1680.714391 1072.145518 880.3940144 1632.764869 989.6973539 1775.426037 1923.347517 1208.306253 975.2003646 112.7867186 4.07813e-08 577.2580721 431.835195 4.07813e-08 159.5738356 77.52034848 424.0596146 596.3464752 2440.016986 1194.326433 1814.035811 891.467484 1744.42552 1915.262089 1185.042766 1528.298491 1097.727631 1232.799839 1263.667211 2119.978971 1188.412662 996.7148449 503.0385396 1487.705083 81.6631621 2086.212222 Cortolone-3-glucuronide 1153.067605 3270.110734 271.4630099 1819.404682 142.0855659 1859.014827 1041.532257 2238.058871 794.7451742 4.07813e-08 544.7223931 381.6907303 4.07813e-08 281.6921497 203.1003909 4.07813e-08 279.4688999 54.10764442 1.638801235 4.07813e-08 4.07813e-08 561.9517765 4.07813e-08 4.07813e-08 631.6656057 247.885526 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 314.1096954 4.07813e-08 28.41580171 259.7319163 4.07813e-08 4.07813e-08 119.555675 4.07813e-08 4.07813e-08 200.3941374 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 239.0449545 1040.185827 3348.295126 9916.727638 27788.79091 282.4342437 2053.809443 507.4753079 1980.208954 ANHYDROBRAZILIC ACID 692.7380846 321.0468545 4.07813e-08 83.85908147 280.131403 4.07813e-08 196.4223833 4.07813e-08 4.07813e-08 974.5843515 2246.219317 3538.377899 690.9133384 5306.897158 1182.13673 1243.202399 1259.259666 2423.748729 4.07813e-08 274.9101834 297.959888 93.04462467 4.07813e-08 4.07813e-08 155.7186277 4.07813e-08 4.07813e-08 455.2737718 2829.359812 4043.681515 2579.075059 6914.953593 3054.136787 1924.109343 2568.362623 3986.253811 1015.470463 4.07813e-08 4.07813e-08 74.17542588 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154.6865928 595.9354789 84.94639338 395.4150047 603.7443711 2079.775376 4.07813e-08 1414.834074 1003.515675 b-D-Glucopyranosiduronic acid, (3b,5a)-17-oxoestran-3-yl 2576.536643 21667.71737 412.6210885 3403.259387 220.0269559 5407.13877 699.4256783 2160.129121 11653.63734 35244.71187 25704.69254 7045.889631 86854.97351 83977.06215 19435.55522 869.5674486 1385.48756 1083.643402 1098.801674 574.3326803 1455.956428 206.8333957 278.8327851 2301.806396 4.07813e-08 323.6451179 876.0770527 54691.07187 6271.807887 1268.88901 420.0522763 1168.136352 33993.14052 9416.410825 4614.69119 4514.351615 216.6464682 4.07813e-08 173.4474836 622.7656722 282.311619 1021.410383 427.8330005 4.07813e-08 1839.177209 3438.74179 83168.23823 16906.82205 45569.67295 179627.2096 10438.52111 23271.8202 480364.6399 157271.613 A 80987 703.6898104 20594.31852 5093.704247 1812.85608 4.07813e-08 1254.707013 8638.617543 5777.526972 1562.13516 701.4477143 4.07813e-08 4.07813e-08 547.7214309 1086.047126 334.3360354 1017.027016 511.4636542 4.07813e-08 4.07813e-08 160.950695 629.770998 2535.072388 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 639.1657076 1098.486793 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 550.1786561 4.07813e-08 4.07813e-08 967.7341631 4.07813e-08 886.1371937 403.5729553 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 661.4048099 453.5568289 2948.406353 6324.769885 4.07813e-08 7933.377857 4.07813e-08 4343.260533 Taurocyamine 2178.594518 2275.946493 1337.85699 1996.882318 1777.437526 833.6386567 1220.891897 1431.783846 1006.56656 321.8322151 261.0548242 117.5790656 427.0622869 49.44797385 165.9993959 207.5185326 435.9738689 188.5241817 2781.939322 570.3533231 1287.455477 2493.093385 1480.739431 4.07813e-08 2115.982247 2336.640768 191.480536 182.1916065 334.656966 435.0514697 339.2432762 494.7033327 390.8919376 192.8028365 165.7551021 94.32794308 3990.239443 1108.129132 1589.007554 147.4873843 2402.131296 3905.25392 4.07813e-08 1764.302976 2793.336434 4.07813e-08 40.81777428 858.7390332 2380.831288 1750.006205 366.5299927 712.0279473 4.07813e-08 744.9127443 Isoorientin 6''-O-alpha-L-arabinoside 4.07813e-08 4.07813e-08 4.07813e-08 312.5445733 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11028.82447 7550.850339 10289.92443 12903.87198 9446.403038 8458.008251 7219.587516 5846.705103 9567.582678 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11080.76354 8608.410505 13484.58469 6939.871825 20929.49562 16343.59934 8512.178356 5083.398004 12405.62199 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16463.38377 4.07813e-08 11633.59934 4.07813e-08 Cinitapride 29968.54265 27835.99105 29732.5459 27830.43268 35397.58514 30058.53951 32476.2144 26110.87413 23001.9057 12071.65235 10658.24463 4122.193531 12582.56863 4979.60981 3924.388706 4027.31615 5087.081982 4337.975935 79490.29748 68806.65289 60425.31336 57520.66 71371.01371 62304.40425 57403.97643 73929.43756 68811.21829 5866.053786 8124.555362 6067.31374 5859.906284 8480.450238 5692.507545 6348.094147 5407.866229 5124.42825 42706.47512 56168.91849 45193.92742 58472.46462 63737.21798 64984.64514 53673.28208 73349.2786 103715.6021 53530.81247 40032.80401 47920.87885 36053.1703 27041.86568 7392.886311 43894.28803 9398.056263 47254.88688 CDP-DG(a-13:0/i-16:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9765.843265 7476.17745 27769.21486 12239.44937 8129.891424 11413.82397 9115.659326 22956.14278 6731.459097 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52667.67493 29068.22925 10146.31677 36650.75942 8260.181417 5058.861642 6246.849734 30426.27039 18776.36316 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1011.603606 4.07813e-08 14567.1402 4.07813e-08 57883.6036 4.07813e-08 PGE2-EA 3131.494347 3022.909744 4444.579268 6615.747504 6814.712229 3380.1672 2332.415438 3657.28957 2883.759245 155.4845667 4.07813e-08 666.6354273 393.4449628 1099.571355 4.07813e-08 4.07813e-08 147.2597123 911.5868746 6300.160012 5835.767018 4669.073926 6305.196932 8182.71048 4929.392138 6862.410533 6705.577546 6679.073763 307.4960651 150.9054955 1647.263863 4.07813e-08 754.0282782 1353.321176 213.6919274 384.173984 578.8611262 4852.730317 5290.290155 4060.294206 6897.020228 6454.81203 7674.357629 6011.427684 6256.18825 8697.185209 4241.147728 2844.459957 4245.532566 3850.69656 4073.696065 851.4344479 4034.803344 228.7551943 4755.302364 Dihydrocumambrin A 4.07813e-08 2015.297644 963.188664 997.0779837 1231.005341 4.07813e-08 434.8952025 438.7365597 4.07813e-08 6361.030496 4423.898949 7089.928001 5547.886028 2873.225672 2479.248572 1354.173359 788.4202455 3904.600874 480.5971275 1091.538065 207.0453508 593.3899755 192.6468272 4.07813e-08 332.8308345 0.52885172 577.8289999 2955.322307 5486.762003 5823.730662 5295.731786 5720.923066 5740.555862 8858.08554 1779.189896 2415.056305 1723.761634 4.07813e-08 265.0562675 448.5003396 662.6879788 651.7718503 192.2631335 22.55071259 935.7840671 743.0095717 4.07813e-08 156.2048985 315.2737519 1259.988137 8550.593789 117.2933702 4950.099416 240.2799323 E-64d 758.0397685 680.2355859 693.7754794 756.1018608 937.6479142 517.0662697 528.4151048 229.4737812 171.8508866 156.7985035 1524.142854 3740.720274 202.7356566 5521.858486 630.8799885 2182.920149 68.01682533 183.7745239 858.2282407 526.1115624 589.7705279 882.3595692 635.5096924 629.1618324 729.262726 811.3082629 847.7225151 1292.742278 4162.406284 5933.394464 2913.334434 3078.006463 3285.674821 1094.026769 3372.249202 3451.938812 1059.970236 657.3908752 502.269559 858.9283018 672.1624806 812.5216321 908.5700198 577.0230282 1018.285572 1185.378776 691.2474233 577.56441 464.7215459 1102.31969 1898.432199 992.0003836 2383.465761 944.7736518 Suprofen S-oxide 6288.572791 3896.416446 6151.94099 2691.699292 4332.711626 5505.445334 4974.713111 4393.455119 8700.46133 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2890.707245 3493.309318 3218.080072 1722.178906 5322.14523 4559.933676 2405.30771 1581.857533 6991.986042 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 566.5276604 3708.633773 2108.584785 5089.232469 3938.9652 3748.819172 9144.563243 2621.313743 834.5143398 3308.181734 2568.438171 2532.961535 3294.973044 1891.540852 4.07813e-08 3456.786215 4.07813e-08 4534.822003 SUXIBUZONE 705.4685982 4.07813e-08 775.8591243 4.07813e-08 4.07813e-08 1284.904216 1158.700268 1564.898636 636.2578494 65.75705766 4.07813e-08 111.4177078 59.16050321 47.99271491 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3294.611718 2691.71093 2995.431968 2444.596383 5370.374353 4347.272908 3341.349308 2519.182338 3911.497535 53.00724276 137.8473641 210.1511176 4.07813e-08 4.07813e-08 226.3788587 88.5130723 1.459124889 59.49096703 1061.655824 1824.877217 2270.57493 3053.513889 3639.353801 5037.127039 2846.85091 2527.370777 2899.172114 3715.25256 1316.939742 2512.827403 1077.979364 697.9483983 285.5819366 1531.497161 56.93902938 2334.044113 Thien-2-ylacetonitrile 2285.205575 1558.179295 3000.152283 1483.138564 1310.222546 1983.901014 1142.657267 1362.027305 2155.979017 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2008.455807 1466.648597 1246.589299 860.6863935 1692.673657 2167.604795 744.4541637 607.6294488 2537.228354 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 421.4698324 2469.2489 1696.199598 1500.354368 1191.851164 1016.267805 1832.158243 715.7817987 808.3670538 1311.880913 1157.830641 1283.891908 608.8584675 595.1089587 4.07813e-08 1854.469171 4.07813e-08 1279.50351 Pelargonidin 3-[6-((Z)-p-coumaroyl)glucoside]-5-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37177.31449 38962.35868 29035.65519 25211.46045 30303.48136 7934.648152 23155.74487 20533.97987 20354.32172 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1974.532033 9415.229748 40822.55326 2580.898364 10370.00449 6768.148794 1725.887439 8283.201254 21133.54325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6647.729596 4.07813e-08 11753.8686 78.58751199 Acetyl vitamin K5 3564.903021 994.3233432 8003.35145 2295.492567 7362.574797 1186.935 1083.892026 1379.267834 3666.486199 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2229.226427 472.3489188 6765.188215 1778.094408 2026.708353 2402.832339 398.3153057 567.63936 3692.413568 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1780.387085 1561.437276 4196.740059 1889.240426 1916.21367 1640.036695 2532.644931 877.4919202 907.1187432 2812.939591 426.5023723 812.6308005 312.3119249 1252.739141 4.07813e-08 1543.26537 4.07813e-08 3291.649383 Domoic acid 472.2507478 1845.600778 164.6505663 2173.35714 1350.845979 234.3505449 204.2506446 838.6209542 609.2005965 1646.479392 1738.819272 2486.494637 2133.715026 1506.17121 1676.996356 1803.853498 1176.917387 1753.728534 599.9304137 1225.805498 1150.128177 952.8463753 0.563987055 119.3424239 575.2392542 1411.310251 154.2908469 1371.060749 1361.686325 2065.667297 1500.039633 1869.169243 2250.049869 2365.724423 1237.228222 1887.318113 2452.363319 1004.74089 1201.579737 264.1193227 498.5833761 2162.9627 4.07813e-08 2205.87198 740.4739472 62.52489472 320.6753909 1157.304323 721.5237726 762.9805232 2463.437171 73.20121207 1723.870518 415.1293091 Oplophorus luciferin 4.07813e-08 15.22989768 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 231.8910436 4.07813e-08 344.3208995 1926.053985 512.9645444 942.4480474 6349.496327 1792.18134 1722.239501 2920.528845 8878.889839 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1299.850259 2168.419821 3896.763383 7347.252507 1768.094428 957.1607661 500.0856285 10578.61263 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28.83577158 897.9678233 674.6282807 10298.21198 4.07813e-08 2003.395101 400.2741192 Talatizamine 2166.75698 2277.153966 3207.728198 4354.258198 6522.581177 1800.512338 2461.325634 1099.556449 822.9616844 687.3959349 534.0735253 1382.856799 698.7182185 978.5459978 501.0534138 484.0512786 504.133077 4.07813e-08 7722.162325 5920.116116 5787.540039 4434.149956 6637.219677 5281.658719 5320.364999 5735.920639 5503.355576 663.696318 309.0470069 2193.110357 439.4810632 2079.558361 3416.219621 730.1064379 1174.942072 1580.33365 2680.82156 4000.502131 3262.964519 4964.365304 4348.729434 5153.872589 3341.485508 5087.532808 6121.221213 3736.511409 1697.400746 3630.686749 2859.055005 2527.859247 1344.181062 4509.882961 206.1983108 3267.970196 Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15204.80173 13420.02471 10098.75896 16086.72842 8599.639213 14651.97631 5811.067269 8584.92635 9817.880457 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 379.5914196 4.07813e-08 4.07813e-08 13809.40082 20263.0008 5796.187006 14318.04326 17148.91059 22416.97755 19563.69028 6683.225441 9171.49079 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12747.46077 4.07813e-08 18243.17256 4.07813e-08 4-Hydroxybenzyl isothiocyanate rhamnoside 1721.407646 1190.55119 2415.072574 2140.446262 2066.047002 2001.627791 1209.788364 1548.909703 1035.24491 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2400.608263 3035.078893 3325.69817 2859.439404 3821.542988 2185.848571 3499.119408 4786.527469 4029.410053 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1969.427892 3764.810648 2272.450211 3670.210838 3507.290622 2679.764515 2411.004067 3755.236366 6363.637647 1214.066297 879.0906161 1893.953257 1900.159106 1203.201126 4.07813e-08 2520.628854 4.07813e-08 2124.968063 3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide 17809.39812 20783.72558 23852.09204 28391.05359 36066.08167 40131.5016 35989.96305 23392.64124 13209.43328 1046.840238 596.7566712 234.9420892 1130.310161 157.0785373 810.4031134 718.7515289 328.9549241 1163.71497 15882.81946 26018.23128 15332.56005 15101.02285 17591.1628 17581.67228 21766.42643 20705.91224 26383.41347 629.2473593 394.9400847 4.07813e-08 573.8475612 558.1189687 148.6541963 507.0783093 93.53559457 4.07813e-08 11372.04435 20431.94322 15059.63207 12319.53894 23928.66206 20811.81102 17035.39399 21135.64651 21868.27461 43842.87935 15752.0582 15155.44583 19061.32195 10139.25599 2147.556664 16556.07565 699.1201726 35816.22321 5beta-Dihydrotestosterone 1247.800908 755.7416974 6318.026884 6177.153031 8467.928259 1010.223092 985.7059855 1989.991195 3030.88627 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 837.195668 1055.953018 2928.158031 2726.640134 4238.987457 1788.564666 4975.012607 4814.860757 2398.33223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3599.142778 1189.148674 3947.125301 3401.638666 3745.390482 2247.503567 2001.368645 3508.147706 6877.778394 5445.627729 5769.499712 4567.127601 897.7224533 3080.874019 4.07813e-08 5405.95227 4.07813e-08 4.07813e-08 8'-Hydroxyabscisate 6058.972175 3421.602194 5663.103826 7429.195029 7964.707698 5665.945723 7057.747483 4425.599872 4928.482364 1337.186263 616.041566 898.8877026 2702.98152 1384.316032 824.4960186 838.4308404 418.9222783 1327.131133 9726.925299 9927.215196 10194.15205 10366.59533 12380.03047 13481.66683 9432.813759 9791.828951 9563.924337 192.5039914 682.2309168 975.9252099 988.7614463 1496.152451 775.1248496 1161.350877 601.7770066 2781.452719 8607.937304 7421.5053 7280.765586 7557.789241 10332.24485 11721.4391 12201.35404 8249.008485 9005.90622 10763.5647 7775.27433 9789.296576 7114.143283 5844.561085 3279.633784 8401.331779 1539.107566 10283.89589 3-Hydroxyibuprofen 7084.892542 5739.646625 6377.002187 6757.835539 6656.583664 6599.311487 9458.831516 5629.06253 7397.637465 3398.554271 3412.875128 2524.788702 3002.186377 2692.031127 2369.623318 4164.706683 2817.588735 3957.128654 6088.697106 6477.651209 5541.847825 6543.506112 6066.143638 6001.208815 7176.064522 6896.010882 5825.137431 2544.606013 3144.606043 3047.821606 2902.522135 3272.447029 3774.961263 3457.475344 3211.320815 3094.620451 6348.754419 6763.090727 5946.738141 5739.692091 7009.432715 6411.926321 7474.831317 6041.265613 5473.302178 6411.087611 5103.236596 6448.702532 6686.738742 6295.664476 4005.453709 5980.586246 3963.775532 7510.756556 Feniculin 1112.0412 802.6074562 1232.063083 12.286865 270.9997717 100.8924982 1016.484759 756.2698068 1371.516386 4.07813e-08 112.580216 90.55571599 4.07813e-08 99.93968111 640.035345 289.4692411 4.07813e-08 401.0430932 2838.940245 1962.904164 2582.612043 1397.139965 5656.095145 2071.757758 1553.98316 912.0112864 2827.525187 571.2928376 4.07813e-08 831.0564318 693.1376572 175.5459801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 260.4685854 381.0920996 868.8129795 498.1549575 863.6950594 329.6085362 2745.516595 1334.323972 270.7686785 763.6494577 551.8824027 789.5424166 964.5838482 156.1084865 4.07813e-08 1046.955178 283.211602 795.6499688 Acrivastine 365.2092244 809.2343821 4.07813e-08 196.2721416 867.9595993 450.7454777 437.7486543 798.2607049 1421.487283 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72.475821 4.07813e-08 4.07813e-08 115.6887699 4.07813e-08 2009.431384 694.6646757 1457.805806 689.680736 2533.309425 1366.143816 1529.014835 43.15915178 333.8575781 4.07813e-08 4.07813e-08 170.9183566 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2016.370376 630.2051864 1687.081398 1105.765044 438.2777296 3046.013088 814.4099466 4.07813e-08 83.50858411 1780.724976 1194.394295 1642.344269 306.7049799 4.07813e-08 539.6023158 1511.108077 735.6835185 2271.85004 Primidone 698.6802131 358.4539261 708.8712409 535.652439 817.2309704 1124.953682 839.9967636 504.6166317 341.2442006 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1080.348147 836.2551178 704.6143998 569.3892174 1810.015366 1756.620836 973.3115218 892.0363059 2054.719463 4.07813e-08 37.19469599 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 384.2985655 970.2909117 638.1460899 1249.185 1094.4056 1466.473014 1876.084929 1100.177853 2270.831219 1363.551715 369.8667882 1134.375925 535.802755 572.8525896 4.07813e-08 844.5777016 4.07813e-08 1530.377645 Anacyclic acid 1576.908695 1427.591213 1726.221223 1999.270791 2209.38382 1655.09517 2452.659329 502.5223932 1829.648985 130.524601 148.4111816 34.63574648 57.88489763 266.9044806 171.2007721 4.07813e-08 92.93131957 381.7514721 2640.803832 2732.40324 2614.664477 3116.121818 3629.772545 3046.883181 3349.948541 1470.780135 1526.597121 43.43246057 4.07813e-08 134.1221276 88.5816531 309.5178124 79.19424366 336.3966749 530.8563558 168.1849544 1910.553651 2223.428549 1962.085728 2173.302255 3305.035538 3747.488788 2515.080727 1559.230266 1830.40179 3519.382679 1808.043232 3197.071558 2126.41749 1680.677984 359.3218297 2915.23613 189.8903458 1908.907287 2-keto tridecanoic acid 2862.307807 928.9028753 2231.246381 1446.116373 1678.056259 6138.877847 7945.702013 1928.264731 2514.082115 231.1100503 235.7395223 95.06198839 4.07813e-08 393.2937701 83.512761 525.8544566 45.60773456 348.9836802 330.6145921 414.9698843 716.8234126 1556.886151 625.8596977 830.3015753 952.5583337 421.0553541 347.5483888 187.3070718 148.9638408 101.353682 280.8859233 51.60403361 212.7382392 126.8495251 283.578429 308.3982158 2614.053158 1289.8983 1908.865977 836.391373 860.5095386 891.8038804 1308.440462 816.0755971 311.3462455 633.6197139 716.2053448 2219.891507 2381.536944 1096.229762 624.8524551 1595.560297 781.7313146 2904.321011 8-Acetoxy-4-acoren-3-one 1536.574169 644.8728669 999.9490024 14457.95339 3363.858935 3312.31976 3262.599711 186.2280444 1309.051747 52.83788501 217.5215924 348.8906791 0.478583256 70.91037879 59.30011945 4.07813e-08 618.1191148 348.9979243 2346.626563 1478.614812 1125.354589 11847.03419 4239.253717 5669.391027 3722.772659 228.8042084 1250.566834 49.75234605 2.739687261 427.5568328 180.9878375 208.372222 125.6056076 57.56821061 210.5095301 0.141057428 1323.46591 1876.422126 1059.681173 5707.452187 13351.3043 4058.188447 5879.567328 690.2311327 833.0671499 2049.747949 2095.564306 3615.743298 3235.22303 1218.638692 64.44644339 2852.819067 305.7177696 996.58371 (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid 4.07813e-08 159.8367794 4.07813e-08 246.7597592 4.07813e-08 398.0665857 122.2196844 4.07813e-08 204.2251874 228.4843656 6190.140379 918.3852142 4.07813e-08 4539.431427 2627.180294 3800.996818 59124.96363 181.3327125 132.8444991 507.3936256 410.4356807 4.07813e-08 287.1625731 142.2981761 4.07813e-08 4.07813e-08 330.6097902 20957.21304 1451.436637 814.9634112 4.07813e-08 1053.019578 2994.323952 4.07813e-08 60101.674 263.7981065 168.0576224 304.2033129 4.07813e-08 329.486466 171.4813693 117.7038455 119.6562528 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 341.3074634 4.07813e-08 88.99485152 677.7676457 4.07813e-08 2049.368603 4.07813e-08 tetranor-PGDM lactone 5315.124371 2371.632795 2652.921544 3006.495776 3840.961213 3511.5201 2956.186956 5217.954998 6431.345086 133.4140807 1459.799821 353.946543 589.4029573 1613.951707 369.2982649 1876.61421 434.3995282 1794.167363 3106.497101 2726.302582 3392.073151 3929.730101 2838.310666 3631.19041 2807.489379 2292.37154 2513.53951 80.5999048 308.015825 1215.658743 1499.274543 3275.73931 920.5299772 273.7753042 206.3157167 2517.282715 5353.978361 2571.246653 3793.122641 3067.952616 2923.823432 3957.321195 2612.08751 2223.159403 2594.238278 4566.540423 5613.838349 4499.838616 6369.982037 5483.77553 1433.465546 4753.534155 410.6030109 4914.163445 (+/-)-6-Hydroxy-3-oxo-alpha-ionol 2215.481306 1936.240424 2209.2338 925.8967166 1109.648564 2317.983527 5297.655872 1167.37744 3893.245056 1179.23812 829.9353001 573.452736 1030.359775 781.2107095 1192.004783 680.8439245 121.8472843 399.5785648 453.5474326 316.9927448 57.41468525 513.5569219 547.0921703 836.9112815 609.7198758 880.0790414 593.979541 285.860983 736.121812 860.2103095 1027.014301 456.7703583 521.2454424 994.5017434 524.2735521 789.3507386 2089.593537 983.3733245 1065.79201 923.2186649 613.9708917 292.6301125 543.6945948 894.1426557 462.2620022 353.3398635 930.5658368 1755.736408 1634.753892 1391.62181 896.6888251 956.6467528 780.3501746 1824.42255 Perilloside C 5845.08634 3820.553984 4369.303729 4083.841568 5395.854357 6049.667538 6010.715938 3407.89514 5284.410852 319.0046087 35.56823715 146.604126 530.4031154 341.2859119 22.71366007 4.07813e-08 4.07813e-08 414.5064871 9393.167522 9878.889725 7916.461694 7150.3385 10264.79753 9862.850617 8822.60495 5899.930877 5728.24078 4.07813e-08 142.0258277 141.8528479 235.8172209 227.2860916 8.863848012 183.6564577 4.07813e-08 548.6365092 4853.705853 6595.96059 6209.417867 5572.647828 7605.350683 9762.720398 9359.267969 5603.102334 7170.655802 7843.851578 6594.165991 6927.972981 5671.795388 4531.941921 651.2024192 7376.981537 512.0706516 5631.315374 19-Hydroxytabersonine 4.07813e-08 4.07813e-08 4.07813e-08 25.66288073 28.05845587 1.781876277 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.10531597 4.07813e-08 1824.650079 919.6216423 1481.182116 1234.230301 1648.819009 2632.816716 2217.82024 2162.572134 1418.273558 4.07813e-08 4.07813e-08 10.94005217 4.07813e-08 20.6704591 11.42345418 118.9825067 133.6642157 4.07813e-08 1910.872726 1396.274267 1492.708381 1987.934241 1789.99428 1062.852858 2634.08593 2688.989821 2179.780203 2631.700445 822.0191576 1712.931066 2696.189161 1895.328604 1302.500819 2112.742861 18.25953112 1520.847924 Gibberellin A112 25379.72747 20061.15591 27248.1189 28051.6698 35697.74633 31901.01214 30590.17635 23176.25064 21863.04423 6248.318014 5938.338152 3664.268254 6293.651367 4015.379595 4634.537797 2849.570307 4393.174296 4975.841912 40847.4476 48819.16955 31937.81085 35098.94 55967.16468 49851.67856 42039.61594 39969.15831 46378.61716 5288.530117 6093.371769 3386.122583 4103.765462 8227.416766 3272.634686 5989.225988 2178.704231 3290.393847 28226.19573 43211.67812 31190.53146 39954.61869 40582.10301 48588.92798 50342.06671 37900.38541 49639.19929 40417.93683 30187.14084 35013.87643 27251.56586 23451.04997 9817.265012 34045.95337 6339.699643 33793.03404 12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid 34019.89474 30445.45623 26799.66761 26602.47453 29737.38708 32853.89784 35482.55925 20111.16102 28339.62534 17564.03862 18524.07564 8454.246406 19199.37986 11747.96563 20244.93402 9094.750377 5649.189485 10516.15568 40939.25549 43545.09913 30906.90045 39369.99156 38939.23255 44345.9731 38910.64034 35707.11249 48868.36685 3835.389572 12757.89895 11680.21929 7875.774392 13287.90199 11763.54944 9553.650521 7446.859484 13077.35367 30780.32881 40243.11703 32323.56603 31340.62435 37180.64591 43944.46593 38361.67546 31812.27838 47765.4098 43622.68686 39462.69044 40869.5354 28929.97791 25063.19585 15129.29225 35123.58353 12697.07334 31013.03383 21-Hydroxy-5b-pregnane-3,11,20-trione 1981.526464 422.4289391 1878.828504 1229.131653 1852.181209 3218.808536 965.1916439 2465.070397 937.428189 4.07813e-08 297.1934872 4.07813e-08 0.034054313 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4538.605112 4573.719783 2953.159064 2605.522269 2915.476156 3260.815108 842.6139259 3741.837436 4410.515994 59.88711105 88.52326981 71.49414861 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3521.730933 2361.280373 3461.640573 3927.362248 2282.963144 2113.655965 2904.430834 3184.34007 2761.769262 1678.924873 1771.313314 1292.455858 1820.537671 1107.623649 261.2893081 1150.533547 796.0604578 1442.035741 Linalyl isovalerate 8260.901532 1655.337156 4249.417746 5855.401237 6399.320505 6092.539164 1255.326991 8242.36179 4958.270716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2441.2735 4453.294683 4476.564246 6155.106279 4614.117226 3815.734953 3195.615917 5980.005547 3585.947693 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8372.053976 6288.429191 5638.9359 7046.841348 7306.353427 2716.116644 4602.453852 3902.99193 2767.37175 3606.832754 10296.80662 2660.238608 3629.577835 3184.982362 4.07813e-08 2458.557293 4.07813e-08 3370.138143 delta3,5-Deoxytigogenin 6594.668409 2054.522141 10688.42189 8128.470251 26650.57118 1482.099932 302.255581 5953.654682 24160.40365 4.07813e-08 1.322540199 100.4191581 434.3838715 4.07813e-08 174.2286331 4.07813e-08 87.72157054 0.750962589 7510.026321 12593.194 2855.941449 2125.595949 48.08394901 2024.191457 3273.277856 1669.505105 1368.706534 7.64964412 1587.5893 111.4658111 5.714236346 4.07813e-08 4.07813e-08 884.1856066 388.2137601 4.07813e-08 1533.48793 2513.830428 2233.739915 742.5043672 3388.102022 942.6054343 2781.992773 343.1669386 2582.596731 4117.078581 2446.628924 2150.451111 3815.294597 4510.06022 1759.67084 5107.160932 4.07813e-08 4207.120539 7-methoxy-hexadec-(4E,8E)-dienoic acid 5607.405733 126.8175108 3340.548225 1159.207557 45.08419127 7808.79545 8933.320886 3901.247458 27.23480924 961.3779989 65.08631401 11.51677364 490.0961614 95.52619133 1078.829126 276.2865825 26.51893378 217.5929191 361.6292003 16.14874552 1951.76434 3321.541457 1460.55779 1428.140672 1043.195357 599.5385575 15.79462721 10.1150169 177.6825737 32.3373121 718.3899396 14.85962335 109.7409118 2207.98387 139.7950032 599.7119708 7097.98905 1726.303363 3104.223878 2035.462729 1129.736845 1202.266647 1798.547606 118.3472489 38.93641429 216.3588004 1166.925163 3095.894093 2350.422866 1592.186996 1641.719751 1651.208789 964.5067594 3557.542619 2-Methoxyestradiol-17beta 3-sulfate 4.07813e-08 128.6973943 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 295.4971793 4.07813e-08 4.07813e-08 2767.669271 2606.668247 1827.461893 2373.734531 1901.823305 1598.925174 963.9361693 14292.77436 8078.263745 50.52736242 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9448.104891 12661.96285 7042.568503 12343.73814 14651.3284 4543.537104 8468.199843 4915.645894 6129.434337 2015.139414 4.07813e-08 110.8430266 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 144.6937025 63.82272678 4.07813e-08 121.2397162 4.07813e-08 1300.695422 1615.913997 18059.86048 928.3687194 4887.323214 4.07813e-08 7,8 Dihydrokawain 800.6473752 1061.944634 487.0993607 900.3286223 554.9374878 543.8611441 989.3515701 1740.540459 1642.998684 4262.405022 2939.583742 3137.349633 3835.93365 873.9226779 323.4646708 1968.586461 651.1236039 1206.745206 1121.747993 1179.040282 4641.144669 879.7700929 3747.298442 1628.015081 2396.939073 614.7142295 901.0568648 2036.146425 2450.050001 1978.581904 1114.256656 1550.082173 1827.746349 1675.399009 843.0706383 1067.469227 1509.265365 989.4696265 614.5015399 1607.601417 1023.151221 1281.908659 2696.548186 905.3052149 878.9888553 1943.490864 1113.79073 1532.174189 976.2921276 2411.21479 1331.783109 1758.656829 2017.592272 1762.650048 delta12-7-NeuroF 102806.9158 77302.30748 90499.32654 91456.32775 103098.4432 120062.7488 119127.721 77020.89691 87567.17926 22601.23077 21473.12607 13072.80645 23239.91841 15248.8195 21494.1353 5520.316054 15019.10243 19140.24007 257789.4383 268769.0357 192339.741 220352.8537 277652.7087 258373.3044 199674.6574 172624.1211 198392.7236 10116.75568 19183.39352 14923.38789 9213.784361 37028.38878 13220.36777 16128.92719 12338.6714 8002.206214 133479.591 211973.3843 166649.833 200218.9442 244022.9695 240001.9904 212362.7803 169091.9607 266598.8274 199791.2607 147327.3939 186448.524 125522.676 91439.91759 42516.35586 167084.7373 17406.47594 123779.6891 11,12-Dimethylrosmanol 662.0227372 1812.245086 700.7777765 1624.807866 610.7380234 1707.470008 1963.531925 1121.420578 1415.320513 5280.430722 3803.683539 1867.492267 5252.695629 2969.244439 6285.863809 1359.409348 6890.256068 3471.794582 5917.965345 5739.774124 4160.515826 3986.583824 5348.459735 6067.459926 4155.860794 2789.538773 4818.353158 3293.403024 3318.705035 6327.269794 5745.358766 4620.068692 3614.580397 4755.881212 3203.211747 5108.880407 3704.238868 4566.585477 3349.570669 4645.794908 4859.886836 5097.321211 5203.645703 3240.976623 6141.546317 4847.084836 5108.751043 3627.284236 3452.189051 4879.568356 31304.62249 3757.659689 7285.371811 3938.660498 4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl 4-methylbenzenesulfonate 695.1918516 567.8145352 1105.873362 1350.666586 780.7438892 3975.218313 2232.408742 1006.834049 1822.996591 65.39226181 640.4243536 868.0727411 149.6123598 1964.599301 236.6971723 4.07813e-08 1005.474787 1847.101943 2277.627224 5577.693762 1479.061124 2697.999176 3233.177907 4680.057994 2523.815823 2800.55449 1469.207406 270.9958915 932.7112759 1567.631034 288.720698 2003.286539 1123.39372 74.79695208 412.1530587 418.1138753 2107.177151 7742.924208 1427.039818 4817.208228 2968.171915 2671.18669 4858.617458 2158.861725 6500.200206 2364.36959 2009.963708 2701.557389 1537.335265 1112.516717 1348.464794 1678.932152 909.5734815 3390.806779 3-[(4-Carboxy-4-methylpentyl)oxy]-4-methylbenzoic acid (Gemfibrozil M3) 20089.61675 10340.63146 19125.07857 15973.63497 17469.93989 19374.58092 11820.57852 23915.95915 28596.38548 220.2834908 47.01598219 1.3994324 87.77854246 206.9034586 260.5080377 89.07254064 11.70410199 214.2778667 5733.066171 3778.062241 8584.780357 7699.321961 5502.08611 3672.422461 6341.911144 5879.938868 5502.149196 69.91735067 112.9915836 56.68463909 785.0946927 62.33641871 49.39384349 5.266163091 45.45185337 3617.878159 18369.83323 6522.620701 11315.3289 6125.838676 6486.077624 7909.376955 6385.028713 5789.041127 2476.746812 6128.434897 11692.73037 13219.2733 24958.67548 21411.78712 4.07813e-08 14930.16999 172.390654 19240.58016 Isoflupredone acetate 4675.234546 4503.671873 2269.827466 4347.662453 1734.502722 6123.29006 11421.11878 2484.10108 1955.250787 12433.76052 8002.835017 4472.832953 12028.72399 4677.04067 20189.17846 1596.901432 11887.10836 3041.622653 5571.619717 6986.868477 2641.859281 8326.536183 7280.682425 4429.967552 9207.044124 6363.588495 8617.471296 15156.25938 8868.471242 7720.122748 12759.17464 11341.54156 12192.84819 14085.32672 8111.719649 7198.062225 7660.553695 8799.815935 5675.124881 4142.327968 7948.818882 6336.516751 3992.868709 5396.379299 17737.71376 2306.546999 1807.353716 2630.022953 5755.561812 2578.899672 16831.47525 4202.582685 10607.32197 4759.2522 Etiocholanedione 3931.49595 1832.189184 2887.758037 2076.915268 2878.982595 3597.895766 1785.51873 1423.264651 1566.700796 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3769.765139 1707.861374 1565.982445 1867.831496 3997.189329 3840.617928 2321.225582 1985.973564 2056.385654 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.18521119 4.07813e-08 2601.717962 1796.48711 2568.135287 1590.855012 1753.325192 1604.172399 3455.112313 1626.122889 3171.630927 992.0015418 471.5523211 1091.85003 665.9904416 449.5103913 4.07813e-08 4.07813e-08 4.07813e-08 989.7093931 Valeracetate 3477.217074 1840.032052 2678.358587 2294.012744 2388.33861 2777.861687 1724.973269 3467.160933 1324.678305 153.4953995 676.3136169 4.07813e-08 283.5208044 299.0797324 45.93657457 200.6156692 442.8173476 437.3087197 869.4514952 771.89432 298.7565138 536.6519392 540.690742 788.5666264 587.2094747 924.3405217 592.4861472 233.3847913 197.0408432 249.6423197 109.8541246 269.1010932 254.0754911 235.610115 212.7528109 124.8647079 1533.718005 707.9058184 445.0202853 516.1112535 771.6796977 671.7546881 956.3988163 644.9817942 162.950638 73.90344508 574.5633162 1183.555788 308.2376119 159.7875678 70.58654586 664.8426653 159.4526245 1365.797209 all-trans-18-Hydroxyretinoic acid 8080.820441 5251.175867 7562.125564 4548.998647 3880.588895 7835.672673 8072.664828 6556.170424 6184.906822 1103.976423 1735.214421 289.8419625 1806.101005 434.9890973 1141.597016 1670.189182 3791.773613 962.2936224 20999.18588 16487.358 12446.50456 13888.25989 12913.18608 14691.29358 11844.22306 9274.305303 9120.780506 2629.070374 2018.823763 1291.708734 893.3452915 3151.475712 1340.647254 1901.208392 1090.294138 284.4543783 12466.84244 17213.503 15957.90045 12279.47665 13950.94805 14787.59999 13040.20362 9296.75211 10845.36931 13881.73918 10493.78493 15285.89101 10877.29428 6637.203647 2837.37273 15215.99107 3202.109693 10658.80361 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate 18508.15656 11179.77322 18894.12877 11499.59724 22485.49792 14767.6306 8704.552801 16778.77329 16322.91753 578.806762 528.7600146 184.6069828 281.1835196 1069.750385 314.034695 356.1104041 278.9493733 1261.794989 2031.216135 799.6322535 941.5177541 3186.84385 961.7441344 1900.590385 843.5731988 230.586845 591.411632 114.5466368 235.7982193 423.435924 68.08603776 307.8578096 247.9808453 139.7409703 633.5500947 291.768107 3018.673038 1980.236053 1506.945733 1366.226505 2817.265259 1097.58568 1796.715217 1009.607963 850.1574415 485.4758003 426.0293603 1413.320646 1181.475313 1911.746809 176.9918346 766.3820102 1391.036367 3635.459074 Dihydropicromycin 1037.797802 2313.954203 560.779504 307.4403915 680.2457944 1119.293413 454.0367695 830.0794972 345.5899849 1377.581719 151.2108039 8204.412141 1440.29288 27256.54782 16733.13397 3851.494077 17941.41597 20906.28998 4919.652391 3075.773354 2823.284601 1980.641304 2482.995986 1619.532635 1334.764933 1589.916853 2538.950684 4696.10786 851.103394 590.0195627 2378.794502 647.7411797 4.07813e-08 606.4546219 6128.163851 4.07813e-08 1644.571334 1507.949911 2399.479134 2387.208894 1404.539302 3226.24157 769.4080182 1391.489716 2346.589468 1885.84054 1875.361397 2116.883236 5246.350514 1214.011559 2110.791878 2372.684957 724.9490906 1388.822982 1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine 5842.119696 44626.11403 94183.54372 1010.086639 457.6028677 88457.37756 4.07813e-08 272980.7058 280250.1945 578.4329573 4.07813e-08 933.1438799 192.1977058 4.07813e-08 271.3151322 4.07813e-08 4.07813e-08 4.07813e-08 686002.7526 252297.2693 454581.8075 79120.7722 57096.9343 4.07813e-08 1334.504301 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 328.5765324 219.1747009 0.09687173 4.07813e-08 535.7676384 118.835915 4.07813e-08 165901.8078 84649.24727 486868.617 339275.1866 24697.08254 61970.8642 4.07813e-08 4.07813e-08 4.07813e-08 1129976.174 730576.746 268121.9986 220155.7022 40211.694 4.07813e-08 419534.2469 4.07813e-08 53005.11184 Enokipodin B 803.5337241 590.6093972 673.6655984 647.6463758 496.2353016 424.2727329 1093.864065 2460.455182 1803.970936 1721.537826 1059.797365 1524.875777 1844.509763 221.179709 373.0700443 1464.298347 644.9283589 954.7502103 234.7099994 270.0034582 1765.258249 429.3105755 1154.931457 1182.09345 1014.991506 640.5920252 688.8567954 1399.358638 1062.304549 584.4802568 729.5762718 848.8755571 736.780932 514.92039 1851.397691 586.9040806 1774.50613 372.1085556 373.4934062 498.2954885 441.1648655 359.2152308 1665.05144 708.240756 625.6089524 1304.297787 80.25121345 1316.895237 1662.738698 1395.440781 325.085692 939.0509784 709.7770328 1356.637808 CAY10554 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 815.4260872 1084.86758 1674.219135 309.7050156 3061.392026 55.93041779 1270.501653 244.4450316 1179.325778 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 628.9136327 2682.155105 705.977761 1737.9297550000001 2371.168206 61.94779392 4.07813e-08 1361.759198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 877.3773059 4.07813e-08 88.36134548 4.07813e-08 PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 9.007820177 277.8467628 53.16940039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 541.8316571 8773.939192 2533.388665 521.1747747 1979.314839 2019.62688 17462.30954 1759.991168 472.9719452 4.07813e-08 4.07813e-08 4.07813e-08 151.1957728 132.6480085 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14876.58201 4.07813e-08 9248.143512 379.6438217 2531.859099 8872.85757 1064.012079 10409.82144 3632.769553 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 293.6351649 4.07813e-08 148.4549925 198.4766082 4.07813e-08 4.07813e-08 438.0875795 22.78627784 82.7589356 4.07813e-08 1981.581488 4.07813e-08 12(S)-HETrE 8857.930886 3815.000339 8333.112389 7627.56049 8596.053146 13723.07107 4535.258475 1253.134734 5177.106325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7169.992367 4658.443191 2433.439154 4618.600795 2647.163848 2708.271325 1790.165247 841.3873972 2158.727177 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4383.411257 3476.658757 4766.43198 3184.287924 4085.742565 4770.5192 2627.254178 1131.248103 794.3426019 2958.708323 1444.31233 4928.906851 2394.190383 2406.52467 107.3146855 4155.437781 114.3845669 5022.720471 3-(2-Methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 1727.719605 2194.35236 476.6605803 1659.7809 1020.197248 1669.647717 2404.149619 202.7668789 741.4965195 4.07813e-08 78.76848681 4.07813e-08 4.07813e-08 4.07813e-08 190.1630539 4.07813e-08 4.07813e-08 4.07813e-08 1839.292862 7160.862859 2133.452131 3815.920825 4296.16191 2791.92502 1560.337969 4.07813e-08 1106.308394 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81.79703592 2377.694157 9339.479978 2569.377951 2931.671155 6218.340967 6264.955188 3262.114272 1043.758144 357.5717853 5067.386865 3124.045212 6094.96291 1913.220685 2001.575597 4.07813e-08 3369.371669 107.0737368 1387.552124 5,8,11-eicosatrienoic acid 6440.006208 4951.863044 8395.795874 12685.89472 7948.43339 6205.603713 4332.222597 4301.87284 3776.044564 4.07813e-08 75.23788235 82.86115319 64.89864253 64.0292054 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6562.688382 4564.406075 3833.508436 5994.583892 4302.466854 2898.124033 3251.163519 3667.57434 3243.135442 4.07813e-08 4.07813e-08 245.2354237 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 161.5121794 268.0480608 5776.005017 6364.361808 4294.932569 3141.4031 5142.22476 4860.948285 2664.514064 3070.684609 4332.183353 2635.558841 2274.037636 5010.850537 3603.997938 3276.93891 4.07813e-08 3629.521441 4.07813e-08 4902.446296 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate 6111.431893 3954.032991 9398.494465 6947.33284 13616.39771 9952.86141 7676.859014 7512.756077 15450.59665 277.9574857 340.9605842 245.0337255 522.3927498 869.6250676 287.3526723 365.8032923 570.464814 630.8737214 17457.22855 10916.17774 12891.89383 11439.18972 13141.72036 14395.79127 10971.41974 18237.96066 7973.793692 417.9355996 463.5357213 426.9544376 524.351826 742.9049846 214.0240397 213.793337 187.0845335 514.731436 8774.381494 7607.117067 9983.909391 7475.10705 13820.2461 9831.590345 12825.70229 12082.34131 11517.81689 17966.77805 62689.62092 5875.445253 5486.289134 4922.578658 6913.190393 5363.660239 2845.007555 10813.10175 1-(4-Hydroxyphenyl)-1-decene-3,5-dione 1668.110575 634.827821 1991.822503 1277.387305 2355.91318 2293.882098 2063.950024 2310.169276 1729.260697 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36.01457404 24.31470789 4.07813e-08 68.27557371 4.07813e-08 3940.923437 4571.368768 606.7960331 2041.229693 2603.144643 3033.796037 2923.225564 2313.923751 2698.53413 15.34555989 4.07813e-08 4.07813e-08 12.13244596 4.07813e-08 4.07813e-08 4.07813e-08 69.40094542 4.07813e-08 2016.836894 3090.538423 879.8547457 2269.645851 3090.070676 2666.753387 3589.110847 2332.332494 2405.896779 4384.203869 3042.905544 3106.205723 1797.771822 150.9743922 9.174282843 2989.042334 4.07813e-08 4166.623146 Ganoderic acid I 4.07813e-08 493.2721894 972.3762426 1271.096871 214.2276297 2147.655782 2785.690181 734.5794297 4.07813e-08 948.3956763 744.9586391 2094.17031 189.8464653 8846.6206 4310.988826 13991.16792 147744.8382 9195.833594 1834.33745 363.4415247 3127.092983 3001.455498 3025.24818 2828.38058 4202.282693 972.4174391 3377.485259 4736.934508 341.3974719 2083.537241 1979.281546 10371.00865 354.4276709 450.4472737 18985.06683 11800.44994 2444.964542 348.4229446 2915.224538 2409.971145 2753.10885 3647.452654 1739.467952 728.1626493 510.2904669 210.6177587 355.1277109 1458.575013 1942.407327 1213.080024 823.5674224 1524.085767 3368.717381 1677.1102 MG(i-12:0/0:0/0:0) 2294.500077 1851.084824 2351.910984 1472.040516 2652.472617 1661.116529 1935.772199 2586.227007 1561.029471 759.1932735 553.8564084 533.5866225 816.2856743 530.4486961 545.7811325 1346.888664 384.5532651 698.1599681 1576.400159 1456.650585 1766.652553 1231.365661 1266.077326 1123.175308 2161.954339 1452.929223 2920.348407 614.0267078 408.6935003 895.6723839 742.4955875 661.7504803 773.941978 688.9330488 1194.398721 852.4472105 847.3193928 2457.909135 1123.254688 1794.947987 1874.608571 1619.719187 1533.647459 1636.073697 710.2132194 1062.252549 1130.756629 1303.456363 679.3838088 1030.383381 751.5599633 1150.687932 1268.668065 2141.595388 F4-Neuroprostane (4-series) 23945.01143 16278.75505 18717.87393 16009.78648 12803.33534 28035.34289 29357.44157 14066.80455 17535.17802 6459.78331 5413.412718 1984.147755 6533.989573 4894.031223 8548.840825 558.3409721 10030.27212 5273.127311 39223.87518 33514.64531 27205.7841 31829.2135 28729.01836 38121.06042 24470.56548 29027.92729 20540.0539 3470.168501 7117.081529 3198.756186 7159.638274 7085.012502 1691.087451 8092.850437 3316.755816 1383.572406 30600.74551 35728.85778 31184.52405 27456.79967 32720.83773 28632.03598 37337.27997 24485.84206 30274.82628 27372.53575 28742.76052 34239.20529 25987.70783 19398.38761 8212.513825 33777.41741 7005.610323 23772.98711 Allodeoxycholic acid 1590.64169 2090.222548 4480.408935 7444.002136 3297.254107 4812.501861 4437.460364 719.4630564 1277.304271 530.8831132 865.1343351 3474.350809 788.5678905 3089.828828 200.0969746 229.8545253 668.0746293 400.3835448 3989.066708 3473.338977 2040.922835 4359.687433 3805.78595 4858.509758 4864.329541 2730.693273 2471.872999 4.07813e-08 290.453358 2800.042174 511.9411949 433.7467587 4.07813e-08 100.8050628 1275.770242 654.8343508 1598.764584 2815.709662 2346.324992 3739.261539 4607.834017 2757.694925 4894.086362 1422.105335 4920.74272 3426.147015 2005.755768 2866.453752 1518.329087 906.2101878 332.6343768 1545.975847 274.8180403 2266.83995 Boviquinone 4 7754.77321 6564.447514 11119.87378 1876.515588 2370.042723 14777.68249 2426.00502 11810.78583 10274.63835 4.07813e-08 4.07813e-08 209.3820608 4.07813e-08 852.9092499 692.7671876 4.07813e-08 7576.134743 336.1227849 11590.70462 5759.302836 18513.61884 11950.11293 2926.841016 799.0351515 2021.136089 136.7887778 226.6610871 177.2114658 4.07813e-08 4.07813e-08 1560.301596 154.8062636 4.07813e-08 4000.216863 1065.444557 0.104482058 7390.089518 2299.435676 17609.53089 11089.65724 3849.729015 8706.986718 653.9971082 0.814358801 385.1682701 30092.66456 39563.31083 12911.50835 10667.12409 5583.924381 415.2712255 16292.21334 19.49522048 4287.000465 Ochrolifuanine A 4.07813e-08 199.44789 4.07813e-08 1985.680712 1191.96436 4.07813e-08 539.7448021 453.7886499 732.357953 626.1778312 4067.714661 5954.049048 436.1793543 6371.681706 6139.225779 6292.189793 33550.38056 10768.62232 4.07813e-08 153.3197117 157.1912507 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3699.361563 280.0334509 8185.589974 2391.586511 3803.914591 604.6056299 6181.67749 10935.30284 24937.94876 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 555.0015574 671.1185646 1395.197279 193.5630669 3336.603359 209.0458072 709.0568807 4.07813e-08 MG(0:0/i-12:0/0:0) 3610.302463 1781.600151 2510.008803 1039.746259 1883.120699 2736.164383 2356.445515 3551.201082 1640.240838 819.9703005 423.6597344 119.6836357 885.3105646 539.9555124 371.368569 451.0866228 90.86407462 616.6290062 1600.387158 1457.122154 2031.768784 1332.714442 2361.204624 2069.363352 1596.781748 1394.669196 2016.013402 209.2438677 815.1713381 440.4079875 1117.625392 246.272352 262.8983265 712.1466597 353.4740791 1102.843872 1801.12745 2596.925418 1750.867823 1364.538844 1588.848333 2560.071401 1826.315177 876.6554025 1064.966692 1973.171499 2251.142004 2145.903905 1911.070052 1877.952848 409.2235995 2581.338495 1171.979705 3209.895653 (9Z,12Z)-3-hydroxyhexadecadienoylcarnitine 5394.982534 2798.604835 5975.343936 6763.119642 3990.224849 8180.714955 6090.702553 3592.161602 4640.171099 1937.273793 5315.219905 1665.719383 1203.683302 20763.3994 3486.094634 6440.530944 18944.8871 12430.05255 3573.631765 5290.333759 2294.987959 6058.071735 6092.106095 6626.484475 4052.134556 497.5697448 2627.98994 4354.981851 2867.720539 9195.011415 7825.471825 14655.03754 4372.102155 6778.238885 6874.562197 11680.88058 3473.015384 3438.243343 2329.062034 3966.535243 6762.477997 3057.952136 5744.949528 467.6561946 1761.377437 5776.291035 1933.403806 5176.972412 803.3885601 527.0643834 5685.240101 2943.167284 5439.632706 3491.605492 23-trans-p-Coumaroyloxytormentic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35909.01747 31153.58778 16654.17519 18678.58379 33916.61534 25776.49304 24227.87623 79158.40341 10151.9402 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40910.1426 13799.81975 20379.05931 32240.74977 28480.09403 22459.26222 13693.68012 16813.82986 16840.5649 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22.22359203 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20007.75786 0.700929362 23663.52174 4.07813e-08 6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol 330.1827126 4.07813e-08 4.07813e-08 37891.51717 2277.859992 10049.67774 7678.348119 4.07813e-08 279.2842548 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6230.510242 3226.674729 2722.618386 40239.55755 6495.630984 30703.57704 6833.288672 432.5490592 6329.26622 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1241.919811 445.1806282 4.07813e-08 18407.37041 38610.46411 3545.682953 23049.45066 1081.027008 772.2272461 3033.513013 2979.425394 8084.262421 1925.055727 313.5558511 4.07813e-08 1644.150732 4.07813e-08 2341.206447 4-Butyl-5-ethylthiazole 1005.950967 858.8584588 836.3193565 751.064532 575.1951609 1053.74273 906.8359383 516.334521 721.0962722 582.8144845 606.7654061 707.8494942 617.3467217 941.894801 890.382523 309.4139161 258.3483974 895.3817344 539.3919298 527.4269804 271.3847022 908.0031952 664.2461054 505.4888763 148.6878644 291.419342 839.1024958 307.556944 768.9142713 1021.775192 1170.882497 829.084094 187.5271111 757.0264871 725.8650842 400.2426803 776.5261833 647.6081191 896.7303 836.843649 360.3128293 774.1277337 926.8299933 279.6113715 545.2298028 888.5440181 794.2814042 1454.697301 480.8170684 754.8035747 365.2326322 1066.683222 1163.201229 889.8233982 2-tetradecenoic acid 7335.803226 6772.003665 7451.114764 6106.644675 6426.675402 6184.277068 5769.930356 7731.692887 7016.159417 4792.133501 3670.707887 3948.837554 4488.506329 4941.113246 3527.646532 7120.854193 5046.24971 5424.979267 4584.394098 4585.556045 4145.17904 5286.783475 3944.81971 4551.055483 7380.775171 6737.146361 5608.838785 4553.018578 4530.770018 5158.475957 4913.8232 4107.615546 5621.173919 4272.395175 4957.820246 6058.898669 5573.754859 4110.878506 4909.379977 3792.078413 6136.017148 6040.973903 5008.223679 7150.942246 5578.768428 5490.177841 4841.915796 4952.307229 7126.642233 5732.109853 4921.077768 5395.200097 5027.873081 6257.529573 3-oxo-tridecanoic acid 4820.829676 4487.843479 4746.429352 4457.090452 3348.953357 3482.886285 4017.200868 4210.654357 3179.938926 2617.88568 2111.477582 3029.212552 2372.229427 2933.142667 2225.410202 3413.974374 2882.632283 3555.001643 3498.790712 3159.131093 2945.853025 2634.28223 2472.689996 2880.258619 2974.865198 3532.219891 3490.890129 2637.967876 2367.079811 2755.745768 3159.646584 2735.163767 3119.542504 2706.439836 3330.478828 3765.475137 2348.770146 3035.73782 3314.962905 2358.829728 3162.889682 3503.125589 3112.549804 3560.871747 2717.602707 2761.596543 3450.119463 3362.330926 4120.901974 3685.358035 2858.291379 3349.166132 2683.4733 4101.886945 2-hydroxy-iminostilbene 16912.40143 24482.96819 12612.90505 18434.52011 11137.87387 15142.18964 14299.29802 10901.74202 15592.9995 26282.81334 22214.92251 19686.07943 29795.90577 14367.04169 19924.23016 16836.16959 8875.3484 16312.8869 22259.30867 17927.06373 22469.89047 20253.96708 23092.25522 20012.3322 18115.4959 24331.25474 21673.9831 33504.72083 23579.74527 21807.53807 21798.90215 23776.41353 19571.13774 24671.92358 14530.21423 13496.02603 20393.41424 21968.94811 17106.0072 21610.87596 16656.4296 20055.5204 14126.74008 22119.92769 26088.71319 8366.006158 11808.53145 16559.14733 23802.27824 28876.36294 23996.35615 14628.56354 34008.08599 16713.74339 Dinotefuran 25621.02913 26527.94327 30875.69971 42428.74203 28707.844 26655.72059 31014.59887 23477.16435 18813.16534 14619.68407 14746.44009 10893.50899 11827.88149 15401.56618 9888.493237 17176.18165 12346.30744 14329.48757 1891.225645 4.07813e-08 2771.920292 3229.964602 5244.233955 1242.927873 3645.534237 566.4258194 949.4207166 5212.135963 11651.08864 13616.02748 12054.15629 10931.10697 11993.59232 8925.549793 12754.85426 18349.21932 3942.883059 7643.735674 11378.43475 5156.957603 3996.493825 3022.721119 1512.046913 1220.693397 6060.268764 5966.782634 9872.788561 9757.647035 11999.35009 13721.02049 6210.257606 10101.47453 14774.09028 22227.43419 Fortimicin FU-10 26952.15331 30783.53759 21413.62228 24933.02557 19916.18503 13769.64613 32548.02127 34489.8775 18363.93571 67734.35478 52744.5543 34479.76814 69624.12754 42291.00651 51102.73372 24140.70189 35624.77545 41247.45698 23474.27623 22465.69967 21931.91261 18550.86435 23417.91504 17377.7646 27055.70132 24854.11111 18271.31233 75487.797 51006.39365 55507.09316 38332.39957 83936.32391 55515.07139 57284.88569 28838.47851 34463.3115 24365.58297 23121.31959 27655.20288 31293.60108 20498.65644 22843.63983 15753.4689 26310.09554 22855.84632 11631.52411 11927.0484 17474.90534 38809.76612 40108.49967 75966.05107 36336.4719 51121.12902 18882.26798 Axisothiocyanate 3 57870.69817 56696.87554 44124.11233 62999.38775 56230.99281 46514.53135 58464.66485 56450.89627 48817.41285 93735.63813 82661.30178 56447.24605 90950.23973 52620.81338 48073.93607 48972.95954 28090.84092 118039.0282 85447.93935 70784.21331 70079.99641 65027.31766 72499.06813 66174.08608 77022.21861 75382.32039 73786.50048 81817.25721 81699.58227 88625.68595 66963.17416 119919.7683 73063.57198 71841.91401 31683.60176 50969.50203 56164.57497 64405.4947 63140.90022 70599.65967 60320.5879 78342.24942 57438.55528 80622.92762 76424.25261 49704.40294 57103.42811 58073.19235 65813.72838 73348.59056 87876.24746 60239.25136 85775.80832 67299.85479 N-acetyl-O-acetylneuraminate 32740.98412 64593.72962 23087.42881 39093.13672 55271.92409 34898.55014 63743.34991 91222.49556 97396.82005 2862.329633 4.07813e-08 636.222744 1402.862706 4.07813e-08 986.4739788 4.07813e-08 4.07813e-08 2254.106039 9718.540127 15060.47019 15780.37343 9251.423878 14893.76977 7979.848753 15218.13125 3363.613547 10215.22897 4.07813e-08 2122.938052 4562.871229 4.07813e-08 4589.922866 1675.966899 1680.057028 4.07813e-08 1004.491488 8332.642698 17425.53356 24361.36574 18838.70522 16202.90455 15390.61509 10869.70722 10044.07517 1488.455236 11803.14518 42793.45282 30794.97319 83261.68414 56549.54299 2093.132374 91803.19475 4.07813e-08 28203.35908 Nizatidine 7900.39745 6902.002143 7258.387216 5024.990976 10652.64204 9146.193407 12918.84179 17128.89142 6946.682351 2268.117448 122865.7356 8822.708754 1725.279375 26319.61095 68102.21527 37791.21187 560746.2784 29096.24531 2175.526147 2455.693371 4810.732905 4208.522282 9169.465931 4945.029819 4656.838185 2486.861458 3422.678652 87673.05422 11628.28645 112416.2198 4386.433718 142503.6106 11694.45431 10.65891905 373177.2463 33601.30144 1944.684771 2521.955776 5285.273278 2667.223822 5720.71318 6076.095148 5053.52686 4406.380712 6056.707623 7887.075899 5172.634619 11439.87315 8348.16515 8787.241311 10932.68544 9592.877649 8799.073617 17052.48253 Tyrosyl-Valine 19381.19262 13588.34632 15158.67958 19031.43321 18220.61495 21232.27586 14828.4908 13290.02561 16950.09916 6708.025759 7651.52055 6160.024592 7237.005301 5319.821519 4447.174306 4910.673205 5388.510723 7699.028671 38345.49749 24545.436 32358.76563 22899.33975 22896.35766 16352.50483 21885.81364 30831.573 26129.98347 6993.718783 6966.274891 10751.38584 7670.694055 13844.81975 8482.714911 6331.119055 2995.660564 7641.555082 19656.20702 25306.34055 29067.67047 32885.70787 27834.36187 26019.33737 9582.146957 22193.75548 35323.44832 12929.61692 16250.31443 23261.85492 23677.9528 21023.40883 11562.59254 25878.2111 6974.480826 13237.70782 6-(alpha-D-Glucosaminyl)-1D-myo-inositol 21990.04506 24552.65515 14250.15582 22663.43461 30127.60864 30952.54107 31323.19546 16693.0855 4349.280262 33152.17229 34245.72557 17950.78933 34601.66447 18997.87814 19287.90301 15241.19263 13732.07407 18848.99314 23085.48233 16963.31139 20100.23134 18200.77934 24134.1483 17792.19013 23597.04549 16226.31085 22864.86563 18041.88772 27478.57303 26068.24068 15906.53107 34999.35403 25385.85876 28011.38693 11859.69731 15496.94558 28458.23752 25277.89559 24350.31175 22524.78792 24106.48265 25192.20659 17092.28013 22491.49831 20292.70875 31117.63616 22074.75345 18037.43396 27839.96264 20573.84943 29715.73872 25480.30211 28708.56207 41344.22155 2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid 5557.20557 3099.819736 6258.446046 4271.605298 4206.636183 3975.056543 3179.020769 8135.32326 8192.951249 4.07813e-08 4.07813e-08 73.68308446 4.07813e-08 4.07813e-08 4.07813e-08 74.63095929 546.3602672 266.35814 5133.977823 2608.072559 5999.295233 2503.736195 5241.076199 2776.154475 4003.887786 2857.283222 5824.056788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 247.4570276 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2657.957361 2719.400686 3058.899013 3386.545987 6133.757642 4434.730963 4538.733065 2990.901046 2242.378112 4881.241365 2781.785996 3650.751491 4748.057641 2477.69771 4.07813e-08 5173.633929 4.07813e-08 5346.734114 4-methoxyphenylethanol sulfate 4.07813e-08 415.8326155 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 114.5308965 556.0664827 405.7552416 3393.335322 3618.490928 2933.419449 3156.499311 2963.677242 2033.452425 2575.240861 3564.530101 3697.781573 221.6944512 249.5417914 4.07813e-08 567.9497401 228.1131531 146.8474369 642.3307589 437.8335027 942.0708786 2953.877554 3730.271714 7765.543515 2310.046908 5340.173466 4315.077192 2942.387833 2618.259949 2225.181085 268.0952255 172.7337444 256.4126289 195.1981971 359.2584009 801.2135086 4.07813e-08 428.0230124 165.7659163 153.019668 4.07813e-08 184.9038482 986.8022224 674.5171439 3705.046786 767.9151071 3790.259767 4.07813e-08 Ethambutol aldehyde 7904.317543 22267.09932 3204.889932 11388.89779 3351.847954 6044.763278 8022.510122 18420.08444 24748.8205 10084.17095 10401.38437 9819.282227 8798.652902 14357.69191 13135.18321 9299.767606 22158.40588 16273.71213 5833.664116 2628.936115 6570.497669 3582.021761 2578.318507 1963.852864 3963.108218 5223.203495 4655.571004 14525.06439 14871.28458 18855.66597 12611.98914 20312.82097 13323.08194 7785.863667 16725.81572 17003.69801 9277.405527 5021.15626 6735.865556 4107.398741 2718.869801 1966.539978 1631.834104 4849.953838 3423.013851 1957.938961 8029.506633 7012.579418 10204.18161 10977.8517 13932.01504 6221.719646 13429.62668 5332.957002 N-(4-amino-3-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid 8835.911097 7032.062653 6151.955866 6921.368599 9172.232209 9026.896392 6509.529093 1227.558482 3613.98903 2384.777997 1560.698387 2099.386465 3177.790782 1854.293975 4121.98267 1548.749219 1840.564586 1672.556822 16271.70522 15749.81074 12618.98187 14943.66601 18488.31261 13506.83242 16212.49814 16538.39026 22523.82966 1765.537173 1215.313755 2871.658049 1800.807661 2180.74694 1743.709155 3264.822625 1074.156587 2777.296638 10096.80514 15607.86769 10146.67466 16809.3186 16066.79572 16828.68052 20200.86456 18974.74215 21711.7023 13570.37227 16097.21381 10877.85428 9443.447131 8551.229162 2835.643258 10491.68479 1821.700571 15450.73245 Galipine 10083.08999 22350.93004 6502.125682 12163.68289 12048.22139 16400.43368 22455.73574 36941.45001 18624.86987 10142.86658 6326.161221 1564.443398 10099.31017 2776.980889 5000.8075 795.0068274 9915.323816 14903.20023 20466.98197 19219.77174 11192.4459 13320.71801 16190.38147 11199.47931 14660.36796 12387.19362 19688.01035 10438.10858 15144.71839 2553.779041 16346.73495 28713.51326 20936.38857 19217.25805 331.5997846 5108.001222 11783.38119 23720.99899 15260.68294 21261.4201 21076.95227 21664.55745 17073.28406 20369.90898 8135.265728 23338.98212 14189.27532 25803.12215 20477.28958 27077.23961 26019.06162 23381.8584 12161.05556 16982.45273 Proacaciberin 4.07813e-08 621.0388874 4.07813e-08 2152.167344 550.403671 277.1170395 611.3792031 4.07813e-08 4.07813e-08 21219.59124 14073.37285 7651.504069 20876.18098 8848.596963 17114.43188 5502.242196 4258.305037 11108.93876 4.07813e-08 310.9807952 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.069458706 17115.12705 15905.62951 16155.9338 12682.58009 20578.05349 14398.18592 25224.06028 6439.737881 8955.076119 1221.806515 4.07813e-08 1733.680278 843.7165815 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 219.2078667 7890.58342 16564.30636 24548.6849 1574.833451 19369.73606 864.8281671 diflorasone diacetate 21186.44474 15010.75698 9197.637594 10917.46744 14574.21304 4647.896998 12892.9239 39569.64571 43582.91216 151.3856996 145.3035807 97.28922659 404.9508757 31.22359755 74.48642812 4.07813e-08 91.63999224 4.07813e-08 1225.953736 1553.630758 5657.329314 4.07813e-08 747.8125269 935.1903054 624.7803571 4.07813e-08 1707.654692 4.07813e-08 4.07813e-08 4.07813e-08 20.00185991 4.07813e-08 4.07813e-08 124.2486025 4.07813e-08 33.88143218 734.2875274 1477.776671 3490.999206 5895.022539 2774.196493 1816.579462 2408.270835 4.07813e-08 4.07813e-08 3517.398999 4846.291086 4735.181285 10378.70021 15890.85215 90.86048023 9050.476264 4.07813e-08 2481.641974 Pyriculol 6079.663353 5032.009815 5264.105298 5406.281652 7279.750946 5292.473764 5899.834164 5197.243488 4502.103779 567.9430277 1342.359304 1220.374543 606.0368416 1178.25551 1206.309605 411.4036653 841.8305285 78.22542569 11609.16324 12013.02 9293.951463 10684.95834 12599.92975 12467.19806 11180.75553 13249.05854 12465.15555 356.5633412 1325.037806 941.0563208 330.0998789 1702.793215 775.736378 1048.204666 843.5821188 998.2543637 8445.425555 10748.90233 8405.687241 11371.24095 10795.75022 10537.70275 10691.12175 11944.01555 17146.86942 9744.33497 7702.639031 8930.768072 7216.68977 6243.233822 799.2279167 8560.968137 1136.695423 8085.989753 Hexyl salicylic acid 645.2612314 335.4575631 1072.074105 833.9754341 1419.839288 816.8159692 1157.780829 2139.163369 1275.479625 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 62.16433102 1765.632719 2858.807478 519.8702638 2283.7219020000002 3904.966375 3555.694664 3353.232209 2744.682872 3883.64559 4.07813e-08 4.07813e-08 4.07813e-08 306.8268639 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1299.557424 1656.558432 327.3277757 1665.798179 2643.42435 2381.72082 2494.750426 3045.917804 3469.543658 1999.526984 1420.656947 1220.74835 335.3302541 363.0420799 4.07813e-08 772.1915339 2.753141827 1664.098902 Carboxy-ibuprofen 2908.264742 4221.87212 4125.975723 4116.354839 5084.913256 3167.494146 4480.844074 4842.362411 5122.413277 4638.817458 3993.948279 6492.212305 4400.944331 4757.290911 2857.138613 3331.21866 1219.887563 3765.677508 4996.24357 6726.064098 3688.125818 6081.746902 9580.075978 11391.31555 8493.133381 6816.644601 7953.075444 6829.382323 8407.463285 5783.064573 6877.296279 8169.796554 7292.958362 9332.637948 4245.099406 5532.219575 10105.99042 4280.70517 3051.294144 5572.193228 6257.247384 6992.152033 8991.36231 5268.356144 5368.702491 6982.227061 5971.78877 4296.969322 4773.319924 6076.583783 9541.840498 4699.655722 8209.474263 9429.515623 Norcodeine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1846.512132 1641.600474 1159.468708 2240.324686 1444.148572 1293.878078 1945.312777 2411.908052 693.0767343 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2997.030203 1566.935416 3484.4171 1907.241599 3198.328425 3290.193086 1965.084382 1527.970022 3406.005812 303.7373727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.161317608 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 127.9665236 4.07813e-08 3398.056672 4.07813e-08 2558.120815 4.07813e-08 (S1)-Methoxy-3-heptanethiol 332.5084086 396.6915992 141.8184642 217.7463106 158.4118573 133.2421 51.67920739 198.9698744 230.3397841 60.21979716 25.54005482 8.561173067 26.75480094 21.29563842 115.5690259 31.3551449 36.78021984 22.76250224 1933.725672 505.6654661 2222.72969 524.6201527 713.4329119 750.2407805 618.6136387 673.8125652 517.0979995 19.51441989 25.19513793 16.64703999 9.632165446 34.56338708 39.28516672 44.235744 14.61973826 22.67348853 359.9459509 536.3520268 520.863224 492.5669262 572.0805848 558.0753984 486.2403743 465.0652684 460.5554599 325.1059729 267.2004417 372.7211963 109.4149257 189.6659895 120.6374235 257.2547066 65.48417787 216.2308226 N-(3S-hydroxydecanoyl)-L-serine 4812.897218 1670.978829 4074.507332 2347.539333 4069.237572 4270.141781 4411.730372 6668.095353 5802.885594 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11763.97885 12448.5681 3971.432376 8434.962805 15015.03947 14537.44596 12246.04536 16907.94797 16255.10269 143.03315 103.2767488 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4921.511172 6295.142169 4623.817296 8944.520959 12779.06261 12646.72938 12851.32543 14957.20695 15814.86673 9201.568983 6572.276048 6960.281462 4824.953236 2507.221337 4.07813e-08 6555.431079 4.07813e-08 8993.229503 Gualenate (Sodium Gualenate) 1202.37368 107.2961962 1190.898759 1824.119377 92.02884056 5604.87081 3753.03298 908.4310184 318.4628621 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 311.791746 4.07813e-08 1171.490636 1739.291566 1532.128291 1616.002272 630.7525159 96.79051837 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2079.632524 637.7058885 599.1628935 1451.094482 1527.137053 566.9879323 1669.059929 4.07813e-08 4.07813e-08 222.7018555 83.77480871 2650.331847 719.2561433 979.0178535 4.07813e-08 1146.767173 4.07813e-08 952.2186525 Ganolucidic acid E 4.07813e-08 4.07813e-08 762.4847206 145.8542629 1422.707358 3006.186258 414.6360755 189.9471348 828.5026695 423.6236243 4.07813e-08 399.4878251 4.07813e-08 112.6262135 196.5362828 4.07813e-08 0.031459204 1796.381627 6102.472083 4176.407665 808.5971058 747.646097 327.7122296 4346.968895 1482.985806 7912.646318 1610.530046 4.07813e-08 155.8881629 4.07813e-08 717.2187161 5.207507 4.07813e-08 4.07813e-08 4.07813e-08 702.7892858 312.5941038 757.7598612 4.07813e-08 3.962922223 1435.728932 264.4497056 3268.540952 3609.456836 2056.26908 3722.023427 4508.508224 1083.258626 199.5637137 4.07813e-08 6.035110964 1799.548388 4.07813e-08 2836.735535 LysoPC(18:4(6Z,9Z,12Z,15Z)) 3088.858085 10121.80357 8735.701281 7256.96406 2840.765124 1255.86775 6620.255133 2182.930482 509.4239979 5604.200385 1806.54123 8085.69831 7051.887334 11446.53257 33667.88723 6267.508188 8444.607412 1422.170537 2137.173655 1671.660218 2295.077879 1283.110007 4.07813e-08 4.07813e-08 244.29703 810.5187723 576.2974229 21371.16984 6757.841355 5253.077554 9824.3197 4827.827191 18009.92314 9260.928545 20567.12544 8768.016656 10222.13224 1441.117291 5714.847735 1421.40263 196.0828047 1603.892764 4.07813e-08 666.3915561 1406.814544 546.191258 447.5548531 2896.16064 3871.681468 6887.640983 3862.370459 3575.956141 126.7342141 2735.905692 PE(DiMe(11,3)/DiMe(9,3)) 4.07813e-08 4.07813e-08 518.6403382 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.50606935 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1418.370483 8029.618542 4527.885991 6115.95342 13879.53434 19785.67305 3292.371941 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2758.234044 2577.375739 6794.055533 4547.37815 11561.08763 14498.12856 623.6211634 945.8200791 14547.2204 1251.778869 6312.797417 4.07813e-08 4.07813e-08 4.07813e-08 706.4703367 4.07813e-08 4.07813e-08 Pelargonidin 3-(6''-caffeylglucoside) 13475.39659 12764.57809 14882.21444 13597.1623 15157.82529 11079.66087 11415.93136 12952.84181 11424.98979 19454.32517 19924.16587 15233.14439 17250.99433 23478.35577 12024.54844 34438.02807 20632.45668 15749.28045 11385.51162 7862.245977 8029.919818 8686.919266 4149.436329 5300.523699 5580.627922 11098.34888 7117.704696 14783.41548 16709.7528 18269.98923 18730.17457 14081.39019 12965.68222 12358.63266 12135.21084 19105.10359 9838.315922 7738.803283 8301.656991 5607.636019 4815.888632 5986.806612 6775.384037 9450.919258 8217.34887 9581.987005 12686.508 10491.48701 9126.034288 9560.494663 11976.16329 9777.546073 25289.76041 11271.00931 Avocadene 2-acetate 4.07813e-08 552.4055045 148.5417721 127.928326 726.0410961 585.4339591 506.4195576 317.6496574 465.5845128 1894.299786 2077.121739 2925.01661 1368.759821 2896.78131 3775.93373 13016.69231 9665.798556 4120.231428 415.6079514 571.4992333 789.7989188 211.0633219 387.2683266 4.07813e-08 4.07813e-08 8538.515433 161.4224445 4428.143614 739.7939998 1902.98929 1589.462659 991.0448193 2783.945893 1856.824772 9214.857397 2853.267453 206.8029899 257.0631542 4.07813e-08 321.9793599 579.003559 841.3976089 580.0635945 6094.762912 1499.397112 516.5235668 98.44286429 268.6563653 1065.077453 4.07813e-08 2103.372849 373.4048089 2851.533288 711.2216352 Gentian Violet 195.2841756 2404.609359 1420.268486 1278.40411 2063.471432 1543.858903 1845.19673 4024.930427 3605.535515 9074.732514 12146.71291 13931.09688 6814.991796 15507.91086 19169.5253 90931.45375 69556.36865 21394.82943 2288.203572 209.4518699 1224.497304 284.498554 218.0976345 843.8404447 755.3640004 12651.0848 1072.56711 20032.40401 3774.753331 13526.30027 9358.083842 6341.338966 19756.98054 12341.48334 60622.19488 16961.46608 1229.392503 292.5065038 813.9183494 1048.613893 1209.945198 1610.988343 982.2120235 10405.23787 1728.780358 256.9827768 2094.775162 2074.236714 3558.183402 1176.555483 9221.556635 1169.638412 14952.02561 2385.968363 Pregna-1,4-diene-3,11-dione, 17a,20b,21-trihydroxy-6a-methyl- 15225.06259 9937.229008 10190.55113 8761.331024 9746.148608 13571.63032 15697.09906 9289.459959 7225.688928 4733.208592 3248.271262 1033.901311 3776.378155 1109.6492 2841.200808 1847.75725 2023.446313 1611.830555 24999.91916 26284.53409 19081.0409 23508.6912 34879.20772 27420.80537 19602.91294 22048.32558 20714.51656 1274.265986 2803.394561 1451.566828 2159.788956 4862.549083 558.2897455 1785.873519 504.3676458 403.6641885 15401.47944 19932.94939 18050.51607 23053.09847 26133.50517 23742.82177 28139.4321 18649.10126 26330.36743 19450.94325 16402.836 17299.35085 12608.79068 11761.16576 3794.028578 19846.12116 1730.054392 15413.35664 Spirotaccagenin 403.6157634 3610.423191 3441.749757 3590.746661 2670.097233 9627.630665 5256.081618 5373.115681 3325.900524 0.019818965 2.871228168 7.182592011 105.4616258 550.6528124 1310.910902 4.07813e-08 2673.169905 282.405668 3747.109442 1386.212132 5383.306453 7167.794787 4890.949472 6538.885649 3906.060807 1961.172253 523.2365789 4.07813e-08 4.07813e-08 4.07813e-08 0.075665079 4.07813e-08 4.07813e-08 106.1882926 7.20021803 425.8984961 10057.47767 1803.894638 3565.655909 4040.727225 4445.545353 3220.138126 5611.59033 1797.066312 745.8580779 26017.63554 5453.484795 7389.808727 5374.602192 2339.098975 143.3907263 4927.020849 4.07813e-08 2138.969229 Tetrahydrocannabinol 3329.164919 143.8465859 297.1425967 238.7102734 123.0257664 11779.46622 4.07813e-08 4.07813e-08 331.6193058 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1505.788189 831.2337212 233.3526711 4.07813e-08 306.110997 6226.940073 4.07813e-08 171.6704194 1380.513046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4469.804963 715.7594668 309.1649671 889.9852643 388.2099314 103.6068806 6956.533759 109.6337351 86.87838952 403.0818218 439.465886 4.07813e-08 128.820766 90.63030586 4.07813e-08 4.07813e-08 527.1087707 2769.401286 N-myristoyl lysine 2641.677404 3940.379957 3279.827181 2827.826729 3227.170493 2810.919659 2898.680713 2947.449932 2337.72317 1900.82118 1622.437497 1144.687257 2150.234491 2164.612443 1617.495572 1537.760943 1267.65818 1928.9508 1818.458727 2004.827659 1862.56364 1766.787514 1397.910581 1921.835921 1995.773681 1489.620693 1733.331431 1914.463415 1775.962844 2167.363256 2291.730876 1601.328107 1554.486946 1546.358099 3281.846786 1978.592124 2517.667244 2019.511193 2119.237349 1786.576778 1802.834737 1824.4545 1549.826957 2078.721853 1430.817071 2450.620082 2420.331851 2649.376822 1698.758363 1943.484677 1535.633954 1645.900427 2403.865747 2535.721774 2-Phenylethyl 2-methylbutanoate 2691.636988 4330.741571 7743.332571 6577.008034 6220.496016 9093.710137 6729.077431 7105.248691 6953.763688 1895.016961 889.6433132 3195.582732 1672.808258 2700.327677 3420.769978 1558.364842 4581.61412 2412.72652 7858.44745 7128.25461 6856.554895 5585.293102 4808.080834 5162.858874 5218.891746 4366.656256 2455.789007 1465.04929 2082.316388 1428.435921 2100.122702 1357.174882 1426.319901 2519.10202 2467.986655 3003.007734 6153.571168 3251.535327 4910.143845 3801.919043 5849.161075 3967.127119 4724.548661 3849.536101 2364.941299 14324.40352 11931.37835 9240.943277 5276.677188 3553.539212 1789.601471 8693.163686 1725.788003 7556.824171 Delta-12-Prostaglandin J2 644.1401262 3224.536947 5654.84789 4248.503894 29173.12087 4415.435075 547.8661305 1070.028484 4.07813e-08 8771.761199 4176.254828 1368.948918 5481.667555 1549.047439 7721.407453 1557.678103 759.5333112 1413.129688 1762.239456 2810.071193 2146.810034 3765.371109 4012.735003 2217.586848 1768.879426 4695.452725 2700.328878 1083.745416 2832.981062 2923.153168 2644.151583 2062.976826 3154.167488 1514.692074 2348.074725 1232.091641 3225.666589 2603.047537 2778.638457 2138.861636 2077.15172 5040.938997 2708.542179 2725.482531 5780.33013 1316.865494 1215.322879 707.5129125 382.5168909 598.6145631 2078.788487 1202.051665 5842.598473 306.521182 N-3-oxo-tetradecanoyl-L-Homoserine lactone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5305.445923 7167.897682 1949.857658 2577.88514 6172.780718 1869.66317 5163.936461 9416.879981 1689.65902 4.07813e-08 4.07813e-08 4.07813e-08 88.0352016 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2247.087233 4042.769333 5386.938995 6071.129402 5309.781187 2449.897499 2096.582694 4288.902952 5011.890143 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1067.549635 4.07813e-08 8317.322937 4.07813e-08 Incensole oxide 2993.964949 3574.713047 3929.587613 3620.036786 3565.464964 2817.916216 3193.815468 4559.187559 6484.851312 2920.135445 2835.841315 2336.605268 1763.409287 2228.536702 1555.409442 1995.837323 2777.598383 4032.279648 4553.751568 4283.09458 3337.67281 3133.709343 2120.196863 3136.622893 2558.521063 4938.313688 3949.78542 1739.497667 1909.769878 2723.578871 2472.798703 3597.146926 1669.65102 1820.277445 2468.808509 2173.727898 2188.215562 2711.589362 1959.155038 2427.142105 2585.889117 2075.576938 2388.733963 5296.676151 2838.164421 3424.675053 4325.161535 3603.783593 2028.159455 2242.659096 2327.250293 3219.338532 3314.724765 4893.68168 N-Despyridinyl rosiglitazone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1311.242701 1419.754051 874.9982613 708.5481669 882.1341335 702.9407745 12025.98695 3151.590559 1534.287736 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 360.6165289 4.07813e-08 2055.659023 365.2877 98.45172737 1595.609003 4.07813e-08 3260.656679 804.9723855 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1245.017264 4.07813e-08 Arachidoyl glycine 17278.63534 17144.88218 16181.75818 16411.25782 14884.29848 12788.56871 14204.49788 14302.25963 12699.88934 12269.59917 10625.47916 9958.487332 11266.97738 10779.26963 8332.012779 14065.02725 11833.40639 13286.93729 10457.45899 11448.28565 9361.158667 9363.692631 8271.675468 9180.592946 11387.66113 13637.37583 12498.73243 8751.600074 10191.86564 11889.63863 11398.80349 10615.76745 11604.76657 9272.026418 18351.39501 15236.01756 11245.94989 9029.258064 10509.63815 8945.510307 10477.38401 11923.95031 11460.41592 15162.82758 11400.87865 12623.71376 10870.6583 11497.34363 13573.17171 12660.11858 8905.13463 12677.34762 12563.21029 13338.79454 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one 8064.560302 10624.98062 10136.8286 11413.96381 9712.581831 9477.333571 8098.467952 8071.213892 13627.21835 8075.112625 7056.389547 6118.518743 6605.967619 6853.29624 5058.804821 7014.67441 4056.396342 8379.98102 10720.06714 10763.65036 6551.467786 6716.966699 5367.509961 8891.57238 7384.4782 12233.31642 7690.245775 5270.418235 5356.465251 7538.769538 6286.710374 6903.302127 3847.925813 4464.247108 7335.295794 6227.921263 6854.900208 7823.907376 5955.172942 5071.463341 4514.088956 5361.088915 7604.757917 11597.57861 7514.213075 7946.41236 11083.72112 8332.808605 4776.496661 5846.875225 5992.894183 7319.985885 9466.503031 10769.18151 1-(2-methoxy-tetracosanyl)-sn-glycero-3-phosphoserine 20952.8062 17600.66235 22376.78896 27970.08685 29362.15403 15142.81203 21984.64834 13282.80886 20898.70036 11691.86592 13418.69278 15999.56422 15976.61397 16013.97038 14867.13244 10376.12984 11209.70136 14601.15413 15985.52689 12990.40909 17791.97034 17512.87129 13292.68562 13785.83943 15065.1886 18912.20789 17914.34725 14985.41373 14863.00429 15566.2965 19049.41595 17921.56176 10483.03798 10936.08429 16237.17324 23818.61743 17645.29978 17902.53311 17381.40036 19617.50388 11327.49911 13486.02902 15560.5531 17447.39308 17773.71284 17931.25723 18044.87454 20784.15853 19471.01305 13045.70464 12535.9729 17361.98922 16959.77497 19212.70418 (R)-Roscovitine 4052.177928 2128.470444 2854.113118 4061.949428 3050.133301 2754.906149 2633.266538 4268.074573 4876.718106 1428.966741 1202.003122 383.1414195 975.3643819 1058.990402 1636.051964 1164.318185 1415.385685 1027.231161 7788.853092 6415.513333 6164.718291 5644.950301 5091.353689 3599.098112 7086.753179 3149.135389 5374.764154 1387.785662 648.2781299 1900.450621 1279.158187 2519.643995 1397.490024 1832.903391 1182.156791 1554.246313 3693.980127 4357.971551 4759.751897 5042.623676 7096.989505 6808.779376 4039.985462 2778.1178 3859.76889 4329.308754 2564.030331 4913.379628 4872.698024 4387.250275 2588.961625 5398.911834 1049.250606 3792.719455 Pergolide sulfoxide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4581.977067 169.0731342 292.0312599 2607.448015 10024.40727 577.6757485 11278.93069 23436.11972 3894.181197 73260.65294 1811.126508 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47885.21023 9977.229546 29522.65242 7382.375303 23700.38727 4322.253043 939.2486218 56174.23238 11124.88959 4.07813e-08 4.07813e-08 4.07813e-08 108.171166 4.07813e-08 114.5318282 4.07813e-08 4.07813e-08 4.07813e-08 217.5060007 4.07813e-08 366.7912317 372.0550052 606.5622606 14196.39766 837.5854979 17994.02481 464.5387785 N10-Formyltetrahydrofolic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41535.09341 34670.812 14886.10928 44662.83691 10838.50195 17053.50872 10625.63337 8582.848207 32740.89353 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27590.567 26533.1517 35431.23615 9908.897945 40956.41079 18485.7525 25521.42872 2993.076773 27557.61136 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 164.3295549 43105.03988 4.07813e-08 52609.29082 4.07813e-08 p-Hydroxynorpropoxyphene 1487.511627 3024.378685 1354.060429 1728.268011 2742.940151 1304.500229 2064.29334 914.8141403 144.9781701 1066.881987 129.4606183 399.4559019 561.749439 77.32940008 2238.600086 4.07813e-08 775.766102 987.0481399 878.661113 356.5347984 4173.828238 1903.547184 10880.86387 2912.489531 1210.712813 4.07813e-08 2109.051935 1769.248671 923.7543607 1091.852413 1609.360458 3532.230785 987.1472519 3281.511784 448.1672522 327.522052 501.3432929 1170.285052 4249.1707 14054.12064 1631.463103 4179.560733 2809.180202 677.8729722 895.422076 4.07813e-08 88.30218444 86.82727341 3006.220735 8322.955851 4819.897361 921.7496346 1337.111737 275.5268091 4-Hydroxyazobenzene 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4789.77805 3891.264414 2067.655632 4539.540471 1653.014188 1725.859102 1901.421519 1744.72798 2782.637824 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2618.870542 2988.982234 3313.053349 1476.613674 4753.173644 2028.952249 2089.994838 563.160757 2520.600287 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3579.221663 4.07813e-08 3399.357136 4.07813e-08 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate 4534.900604 5194.045544 5185.629388 5467.397733 6091.200146 4555.377371 4497.3489 4227.671114 3731.80771 2396.521304 2605.775328 2757.878672 2163.708104 2745.917023 2196.40011 2916.014294 2066.387637 2558.839805 6570.751007 4229.37294 5883.504298 5334.485575 6533.642471 4852.240965 4295.233562 5322.876185 4057.837501 2276.816973 3041.508665 2938.363568 2623.279472 3366.158878 3006.229429 2837.204735 2909.629288 3345.725541 4889.129475 4231.324916 5078.95068 3773.320663 5285.182758 7309.883507 4637.683261 5337.432515 4809.751739 4621.075059 4319.497416 4333.89268 5825.557318 5358.005816 2677.3485 5831.701043 3761.460917 4567.026293 2-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one 214.8371196 4.07813e-08 429.7004164 138.6424662 149.1333535 135.2652105 156.20835 875.910322 170.5644357 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1699.964105 1531.771025 899.0535033 1243.778755 1630.859502 1622.919498 1653.285149 2999.067205 2597.565851 4.07813e-08 4.07813e-08 42.26486192 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36.2172448 4.07813e-08 655.7570479 724.6207328 805.9703069 840.7624948 1396.967115 1219.307032 1615.6629 2517.447678 2617.855376 1293.944296 509.4695205 1178.007282 751.7308878 543.5570661 4.07813e-08 937.9819931 4.07813e-08 755.3636835 Polysorbate 60 3565.948446 5019.011472 1113.755925 2614.344397 1207.934171 613.9336095 1802.664336 2290.022055 1027.845395 8306.866377 6925.068311 8095.38728 6088.348773 7693.240498 3745.46839 2869.629866 1018.650352 5479.850854 4.07813e-08 4.07813e-08 1113.037424 942.034502 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4063.873717 4620.575801 7068.166932 3592.322522 6915.153563 8230.328196 4901.395077 4328.656354 4145.300892 4358.761309 201.4693118 1113.481992 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1565.726368 945.1954225 3593.96265 7920.492289 748.2264451 4787.774771 4.07813e-08 Leukotriene C4 methyl ester 4.07813e-08 222.3022253 4.07813e-08 4.07813e-08 4.07813e-08 249.676051 4.07813e-08 4.07813e-08 4.07813e-08 25431.47691 49430.16176 78451.7836 25031.3209 42967.35533 41393.27397 53225.21429 14940.22624 48013.09181 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22071.32527 28873.67384 46152.03519 24050.41263 17827.56504 49114.93582 48805.5289 32997.00944 35988.98529 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 368.0477402 34018.48555 4.07813e-08 18855.01464 75.14505127 Laudanine 7870.251267 8180.973404 8382.070097 7074.938079 8358.920019 7602.259679 9134.92047 7165.986933 7655.632337 5032.774501 5459.231261 5641.438356 7489.685433 5631.51502 4798.145105 2993.358295 3815.461954 6953.860192 25815.95615 23853.46208 21189.94548 19770.89607 27696.33718 24088.47822 23964.32037 25058.80291 25187.50564 10468.98892 11264.08877 9779.261812 8583.339417 14527.6212 8583.090431 11626.35033 4073.795083 6016.239068 16870.05543 19919.9017 19013.38863 21943.43805 22247.27875 25180.87595 20371.27863 26028.49031 30588.96097 16415.88718 14743.34857 15865.63555 15974.30369 16008.2892 13953.83122 19139.53325 9789.969736 18763.11387 PR-toxin 7203.726798 2387.143314 12581.1018 10050.89705 10734.69987 19480.54968 9219.754368 10424.54175 15106.06304 39.1036097 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.00759884 6431.38701 5411.776633 10850.53747 2683.713073 14543.72275 6190.082987 8054.720177 2570.167373 5973.687015 4.07813e-08 15.58135197 4.07813e-08 4.07813e-08 201.8846368 4.07813e-08 30.52570059 4.07813e-08 29.46447372 1065.958321 2964.56564 7592.405579 7214.294852 4743.596067 4742.214867 12901.06023 4908.435988 5346.971243 24486.67422 3815.541757 11985.60403 6374.280222 7354.012576 338.3958606 12446.34034 574.1998942 7998.729468 Riddelline 3060.48855 2461.810732 2668.218027 2177.50717 3159.113251 3175.808358 3111.798309 3681.466115 4807.435234 4380.804537 3184.210669 1011.271045 4804.171735 835.1393785 7298.307352 1727.99997 525.6074557 1194.141072 6425.687029 7117.647936 5519.951267 5893.588282 10618.02645 12232.63619 8855.212887 7479.395135 10817.13883 1306.915503 2587.002947 1287.855491 4493.683556 4303.900674 4565.619735 15348.78414 962.3666112 696.7191761 3845.21644 5330.581763 4595.970094 6191.607152 6415.1783 7416.79983 10137.18046 7293.135214 9103.003828 7852.789526 6122.287106 6143.758627 3360.933805 4860.698095 4913.917236 5534.833106 12694.82878 8305.678136 2E,8E-Undecadiene-4,6-diynoic acid 662.9635828 57.47238793 665.5557517 403.4911842 683.2314555 960.6705738 1000.941247 365.2070175 67.60532042 4.07813e-08 4.07813e-08 42.48967647 4.07813e-08 82.56605843 4.07813e-08 4.07813e-08 4.07813e-08 100.6629597 588.9371836 916.8575577 315.3853382 1101.974342 1044.695668 1443.43445 788.915435 741.7136203 851.9546388 4.07813e-08 67.10109087 54.85347117 300.9561592 4.07813e-08 4.07813e-08 342.9642084 4.07813e-08 357.8494456 880.0228931 1093.232002 1327.208158 1118.75198 595.3951727 888.7779104 1067.278985 658.3229592 506.5486365 1515.291913 812.5686473 1408.360986 440.3793867 155.0166056 4.07813e-08 1159.728368 4.07813e-08 1551.989495 Dihydrowyerone acid 477.6430965 530.2888396 294.7354913 136.0152213 146.7221297 274.1337607 407.9267042 123.8078491 4.07813e-08 4.07813e-08 4.07813e-08 69.69849421 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1003.353407 810.6972362 650.368863 810.6387393 381.6254291 746.0275882 1046.416359 860.228493 1190.441512 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66.84566446 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 612.2063631 536.6998828 756.2677572 497.404867 793.6071817 661.9628417 732.6506431 960.71473 1100.266574 694.9134276 630.5164428 572.6341513 326.4974523 283.2239918 4.07813e-08 297.2741914 4.07813e-08 566.8396112 Convoline 35549.21753 33297.85824 45418.41779 53008.83219 73816.82754 47968.77787 62467.0937 55217.48818 45703.3891 6146.506802 6417.497178 8347.363413 2969.882565 6950.313704 4590.315275 4574.079537 5648.324877 3683.589261 54904.10291 96483.74502 27909.27485 60487.15535 112080.0572 114400.5792 97524.87894 98611.74161 120235.2248 3661.753309 4878.719224 7255.270354 2982.790155 5130.11954 4082.397078 3832.039341 6137.553114 7017.897871 58053.87094 63034.91568 23363.67072 59288.246 73059.77236 88382.91931 111458.2587 103573.4383 92447.53871 101922.1087 76141.02322 56140.86874 38904.50398 33265.03146 6120.013133 47383.97362 5513.138338 95662.32972 CDP-DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17869.049 16479.11762 16212.99013 19472.81741 13165.97225 5334.587613 17975.44344 11149.27699 30079.93333 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14984.76483 26751.04296 25519.48755 4686.578744 16876.33403 7305.963842 14113.73451 6087.929361 8354.482669 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12824.94975 4.07813e-08 12111.08872 4.07813e-08 HC Toxin 468.061116 626.3360006 4.07813e-08 84.29745381 4.07813e-08 232.8997874 4.07813e-08 293.8460696 3121.461159 5694.142462 3060.626729 2791.696865 4647.890067 4927.190201 4850.310797 2858.208739 7852.786602 6967.478747 40.81908103 4.07813e-08 59.44100486 41.57356955 89.0244484 4.07813e-08 91.95503755 4.07813e-08 4.07813e-08 4986.255738 4467.346273 3789.988159 3724.576586 7365.157292 3911.711013 4233.11895 3406.618307 4101.090439 172.1891964 240.2477689 4.07813e-08 50.31893487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56.43962378 24.94001261 4.07813e-08 4.07813e-08 523.3585923 5776.671992 82.21887835 2092.602709 4.07813e-08 PA(6:0/6:0) 1718.61859 1322.885981 2637.342794 2377.874479 2762.952898 2199.215826 1552.719416 1990.733626 1623.347403 279.1664175 582.0801422 419.1394436 4.07813e-08 348.8967052 353.4211656 503.4693789 5.666801113 405.5436174 4468.560061 3624.775326 3088.127823 2856.322378 4508.216372 4342.336626 2617.158605 4783.634775 4042.965958 409.2159785 568.8060432 175.5493205 233.8157198 255.4144916 698.3002369 16.86676173 17.10032166 14.70820214 2822.164039 2893.929692 2432.677146 3404.416365 3401.149546 3662.493064 3254.187709 4242.518928 5231.77351 3383.375909 2756.921901 2921.68564 2403.044244 1433.223593 829.9628194 1244.094386 26.63128355 2826.231029 CAY10626 14.99705413 538.7049601 204.0195367 11.51469056 4.07813e-08 29.10381833 1500.196268 177.4672252 12.09969981 5429.65727 6851.90658 4785.80183 4872.530478 8520.013043 7064.007144 2469.485531 30831.40986 9976.897529 49.59374435 36.42234326 4.07813e-08 79.71405253 4.07813e-08 4.07813e-08 3.729275219 291.7729476 109.0070639 12227.46713 8468.150914 4412.582168 4980.770775 11397.53823 5492.128617 5027.93771 25885.75988 5612.29878 150.5502533 4.07813e-08 466.8588169 18.53291393 11.75356487 4.07813e-08 372.2606709 97.73971689 227.3601574 48.39702482 4.07813e-08 4.07813e-08 4.07813e-08 3129.28523 2689.480091 4.07813e-08 431.3495728 329.7742573 KHAYASIN 44304.37791 144602.6456 14255.25576 19737.22371 2183.154938 8033.059609 42931.8227 80083.92682 89169.9795 209256.4493 227445.4073 162464.1101 181011.4903 197893.8807 268323.1819 638616.4218 252884.2679 376031.1096 278.1036909 394.0210055 1655.569076 4.07813e-08 4.07813e-08 282.1834101 1254.217674 4.07813e-08 4.07813e-08 169947.99 170954.7461 544887.5168 270776.0762 400562.0746 175949.1923 623837.723 178097.7376 791885.4919 4.07813e-08 810.7450145 2825.027549 4.07813e-08 0.2973404 4.747081541 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7104.456669 2874.532112 10579.93119 22407.85424 168904.6941 4322.167583 33347.53927 2105.421756 Istamycin C1 2899.337483 2713.160073 2768.019229 2741.959828 2975.613543 1651.879139 3081.359405 1962.392845 1431.475128 1037.539079 1567.232792 1819.697981 1368.533927 1623.740236 943.2260066 2769.379457 1353.70936 1923.910764 1566.715699 2415.107211 1582.907019 1590.952161 1460.79374 1634.557972 1136.974072 2265.518899 2345.919779 1800.820266 2453.520963 2011.820418 1782.073547 2313.421252 1428.717534 1473.649685 2063.103303 2027.409686 2777.688006 1308.49937 2107.880888 1401.462156 1639.633398 1876.528584 1399.089662 1647.318991 1668.292178 3177.947184 2177.143671 2126.23186 1232.58453 1389.576534 1484.243099 1799.064024 2316.836547 3261.227978 PC(O-9:0/O-1:0)[U] 3959.98056 3903.589736 1904.019419 7917.636263 3852.067353 6593.867649 3835.648652 12383.12574 14438.62408 3601.983173 5729.038301 4919.561763 1908.786803 3745.646115 8642.610713 8740.027805 9668.587529 5267.627257 4.07813e-08 4.07813e-08 3102.345845 4.07813e-08 4.07813e-08 467.5460314 533.0030961 473.1277176 4.07813e-08 3933.465281 4707.688506 1963.486637 4181.817661 4797.531576 5433.243273 3255.117948 5784.040846 4647.359261 438.4530029 178.2481095 2680.699561 521.8175816 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2002.033943 1949.881768 3701.55129 10712.95667 2301.266087 1349.781459 1295.856473 633.268931 2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate 5387.088441 2032.541476 4575.443052 2614.548189 6381.083 6090.169129 5604.342013 2762.260682 1304.767862 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3723.20432 6676.478913 2783.924701 4130.191076 6061.29306 5534.774333 5441.287533 4122.877123 5943.945623 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2655.431123 3403.872603 1967.68609 3463.317048 4325.483182 5009.309889 5467.071031 4223.455739 4733.921262 3405.547889 2324.92186 2505.23096 1593.196883 1131.263525 4.07813e-08 1812.756294 4.07813e-08 2777.586645 Allyl undecylenate 1354.703766 1116.475667 1699.226535 1289.370085 1563.868999 1191.568457 1329.364529 825.8148396 1314.584445 614.1654167 671.4067937 812.120423 903.4575791 1045.521575 476.7248808 1304.021869 758.004796 951.7797716 1074.685174 688.2755041 830.9385381 878.1835872 717.1165548 511.5237747 928.2451868 760.1882562 1177.885735 694.0534583 592.4194743 1216.934636 993.3349156 214.3096613 795.0136239 985.5339395 1134.329146 1172.68022 1285.60858 1004.271739 650.1171536 689.8432196 782.3282429 1226.395089 947.4684539 1212.049049 1140.17222 811.6493881 739.6180488 1063.672836 964.3327586 272.7020537 592.6940739 1176.458457 1157.563606 1083.660032 Phytosphingosine-1-P 15709.88064 27254.98811 8083.137595 19518.41862 8100.99542 16513.42071 18246.53471 37564.44556 50734.07144 2073.56786 4033.378891 3029.143098 723.9095693 307.2453149 2689.709417 2090.723888 1160.294896 4010.803526 577.76626 4.07813e-08 11136.5145 559.2790774 2364.658408 1424.267703 2284.887309 3415.71327 1938.451212 2365.687565 4195.784421 1086.593165 4042.163212 2890.176475 2341.081957 3573.528901 6649.287675 1831.967979 2038.718655 2590.222952 8245.942986 5363.203805 352.9810392 435.5917139 4.07813e-08 557.290391 1257.789956 634.6082626 11671.62403 8795.761758 14717.81477 34354.067 1025.002316 8398.609188 3112.915669 6963.925855 5-Hydroxysulfadiazine 8317.236206 6245.51807 6494.438166 4384.633717 4707.94042 5684.099468 6443.892187 8211.647754 6425.004626 1566.926731 1079.519969 1070.89025 1637.39572 877.5070224 1537.283679 1048.007469 965.8605655 1972.918368 10453.24341 7770.47573 8399.815218 6747.485367 8161.264946 8173.618213 7609.991747 10388.50374 9259.948633 2381.122547 1532.890277 1085.33168 1195.343158 1617.724233 1681.2422550000001 2592.844857 1282.009606 1167.184309 7013.021731 7595.095468 6868.246383 6751.377955 7978.594049 7184.635732 7856.008054 11303.50464 9127.429723 6816.277 4889.317573 6346.378363 6134.099932 5359.672358 1525.073842 7273.916349 1317.706983 5102.965071 Sphingofungin A 799.2758769 1280.510697 491.7947204 31.6461069 61.56114549 107.8974541 589.2127951 937.2560517 1667.446859 5404.663711 6046.926576 3968.114125 4846.007877 4714.312908 6594.466893 4965.069147 16765.68332 6966.336855 66.90192456 514.6410169 93.08200097 324.1644418 131.1012604 51.5343131 56.7733837 83.78822633 304.72155 6502.93373 6993.049499 10301.78328 8072.746666 12741.62412 4979.987099 6472.913322 14464.90202 18189.84198 2325.746594 506.9223575 87.85762719 130.0152549 151.2946141 98.30645802 55.9068516 1057.529095 327.9640595 178.0647275 89.31052821 412.8088946 12.10228441 25.86142616 3820.867223 145.2656542 2348.1533 162.2966781 PGP(a-13:0/a-17:0) 4.07813e-08 814.3952428 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10758.56558 22814.4877 21660.75868 5039.514638 388.2268568 32303.35833 20186.52007 4134.682112 5499.217883 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4069.706703 37221.32237 4.07813e-08 11542.2791 6582.046556 19211.24601 28294.4292 5795.045776 5726.808831 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17034.168 4.07813e-08 4.07813e-08 4.07813e-08 4-Amino-2-methyl-1-naphthol 1082.8929 357.3715502 1622.537829 1466.62445 1000.583746 1245.237054 1059.27 823.936904 654.5038447 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1340.476371 545.9899509 1155.522884 815.791387 468.5358408 1669.643889 1208.96001 1540.737145 1082.522955 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 691.7208444 509.3302814 1017.773774 1482.317499 1116.055974 879.8371254 1562.318472 1083.87589 1217.648798 833.1354728 729.7327074 527.6781436 924.6885862 739.547897 4.07813e-08 1223.376667 4.07813e-08 650.8333783 Pyridine-2-azo-p-dimethylaniline 4754.071727 4766.465381 4610.554021 9606.959152 8017.115089 6172.744667 5912.570848 3489.626617 3214.006092 1893.342396 3048.595597 6771.418602 1776.157691 6749.873993 2699.284771 4135.082246 904.9878663 3872.86074 9268.209233 10030.76414 9092.230637 10061.02951 11261.3157 10391.77578 9027.779499 9206.829672 11292.02306 1859.812397 1861.691459 7015.202021 1945.80312 3691.025054 4809.232313 1533.876203 5580.374522 5492.55659 7018.211204 7726.59109 6400.0828 7341.668808 11281.79044 10181.61979 8067.1655 9824.850813 9829.701558 9833.913292 5939.218035 6439.946754 4652.643871 5108.047042 1829.029156 6551.151174 2063.063694 7923.99309 N6-cis-p-Coumaroylserotonin 920.2048036 116.6908238 1201.238898 1247.628152 1799.643399 1031.529197 719.3930655 1447.033062 961.675368 151.7442525 146.20307 290.8843057 97.98685832 51.16503018 100.4822583 177.4533567 369.0360989 265.0970869 1737.594663 1974.483812 1285.680639 2482.156261 2244.235599 2986.718526 1776.371216 2592.152283 2414.193948 113.9959994 127.7022849 260.7420993 118.1576972 352.0835463 189.1392747 155.8353757 4.07813e-08 95.07570889 1784.678853 1170.332024 1123.633563 1979.413494 2376.281415 1686.50229 2057.13082 2028.562953 3624.820125 1042.4816 792.1130415 1009.657069 447.457095 803.2668054 241.8979042 1193.051902 16.95188024 1591.245378 Pregnanalone sulfate (Allopregnanolone sulfate) 4.07813e-08 760.0814663 171.4227566 201.1988703 4.07813e-08 4.07813e-08 214.9194681 4.07813e-08 4.07813e-08 202.3392637 272.7244687 1810.39823 131.302003 4.07813e-08 1456.032858 938.799514 6231.2105 4.07813e-08 922.7469331 549.3154499 757.7372145 180.5922301 930.5285906 410.7437918 4.07813e-08 1046.219852 414.4764306 133.2597669 476.7222263 4984.029664 153.9506982 770.1694366 536.2695733 966.9825315 1487.718332 4.07813e-08 356.1339274 168.4192731 379.8485351 564.2297493 159.5797273 598.1597038 4.07813e-08 214.8182576 238.3433784 207.0245032 555.1817009 703.2450044 194.2060926 433.1585616 1093.721453 4.07813e-08 763.57944 4.07813e-08 4,4'-Dihydroxybenzophenone 1385.912412 2120.324569 637.4280797 2904.996225 1376.990234 208.9671546 970.3907255 636.6921553 148.2888954 3414.176688 3030.742067 4023.58116 2745.541842 2553.071578 1946.69876 2063.693204 1181.484768 1776.50716 2596.710166 1061.372739 2618.27708 3533.068719 2901.813375 982.2997386 617.421897 2452.260617 91.24887546 2340.68954 2765.695897 3311.05008 2347.889106 4209.95486 4056.860496 3120.349503 2008.828814 2306.82702 2937.417344 2168.744334 2196.209219 426.64328 2935.346846 2628.018184 1109.414294 1723.265436 1045.54819 675.9653434 570.8328455 858.8136663 965.0458844 1395.172699 3155.738393 453.9359096 2930.308116 528.9374243 N-acetylsphingosine 1-phosphate 867.4068578 831.6967713 938.5789008 649.426648 1249.944894 2287.280474 907.3970998 1113.678751 799.6146303 396.5015326 162.2320698 346.6350205 1284.803227 405.0249234 1598.608426 376.75463 3004.946283 195.0617194 2188.778594 2240.423603 2136.33907 1326.225213 2513.286364 3686.487192 1767.842027 3762.0347 1832.840216 2061.547606 1801.369868 395.8150967 1293.538363 1387.282546 771.2928031 1328.59564 5147.403379 60.33120434 2101.528505 2370.649064 922.2508507 1866.627113 1722.910325 1522.079938 2960.115348 2449.122603 2288.911965 6452.307615 1116.618202 1230.468541 1497.244454 1054.765804 453.3483903 1658.683219 316.3024267 1339.796854 Fabianine 1016.03818 538.152513 456.0265518 4.07813e-08 4.07813e-08 603.9866223 682.6592226 1528.290633 1576.629979 288.1957519 4.07813e-08 4.07813e-08 204.247487 4.07813e-08 258.2795359 4.07813e-08 353.6570129 757.7041408 2041.086427 1695.752523 1305.997258 1313.268577 1579.997244 1864.65728 1408.213286 1882.726208 1723.442731 292.2294501 406.3761092 4.07813e-08 349.4654337 448.5742787 118.6932571 561.4219756 4.07813e-08 4.07813e-08 872.578374 2086.854221 1421.292491 1500.904242 1246.854976 1451.535493 1434.770007 1968.927074 2566.587337 1444.774541 828.659691 1290.626821 1197.866804 897.8227657 454.2846927 1093.869474 171.6690689 847.3802186 SB 939 1064.356015 870.3808049 859.5740659 3606.666616 1025.155673 2469.508211 1381.162142 1008.888716 359.7635831 5491.84727 11775.93334 6669.91558 5357.293439 13780.11063 1956.486748 8732.869464 13060.41226 6141.416933 145.9745421 854.0491835 4.07813e-08 1375.395956 566.7497217 1193.045772 701.8372197 739.0976372 638.9193196 1731.206513 4119.057624 11353.84282 4626.134183 9584.948301 2282.648062 5973.314276 8076.432823 5955.010548 416.1625202 633.4286396 305.7606082 974.1218315 870.5454898 460.4806364 571.797593 423.3784432 423.3122371 998.728767 637.8447605 703.0294966 189.6332454 1079.61199 2778.22533 659.4610852 10450.51341 1193.338735 PC(14:1(9Z)/0:0) 56996.37377 54509.04612 55717.1971 56934.18031 62615.432 55990.00906 56293.55857 39150.31773 37369.01036 35520.56495 42530.01232 36484.90022 37002.89094 41006.48797 35251.53185 19319.12695 27785.95477 25595.08214 119972.2416 109827.2378 89016.10725 84070.28639 117496.6813 94470.8963 97843.76757 103355.9925 108134.1754 28038.50847 44427.61304 56525.10462 31951.61678 75131.71005 49677.37244 34456.82242 21281.38946 37582.24666 86011.57775 83455.29667 82723.1774 83255.34225 90452.66703 115686.9426 84990.39661 97953.87493 111392.7193 82787.59903 65079.74266 72232.61605 67127.29178 57615.79119 64867.57592 83224.02812 47582.41638 83845.18528 7-Epiloganin tetraacetate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1072.272765 5379.51337 11101.68509 2046.863999 10814.13661 15156.73714 3129.397986 9664.390848 19964.45046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12361.61314 14426.27183 27924.92404 16097.88281 30153.11843 20224.01929 12376.94821 12929.05081 24403.68989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 199.4026491 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4873.878821 4.07813e-08 287.0785797 4.07813e-08 16b-Hydroxystanozolol 2582.560159 3508.22296 1012.800586 1176.648097 428.9799747 1918.111494 2231.552013 535.3598873 5226.98592 157.6481659 167.6994676 260.5555857 4.07813e-08 445.7825878 81.72106352 82.56492857 105.0457411 798.6532371 4463.833364 5265.526412 1626.842682 3220.596953 1867.393008 3462.856666 2821.394779 486.664187 1406.052012 4.07813e-08 142.0547773 252.234704 4.07813e-08 1118.468561 163.5985336 4.07813e-08 4.07813e-08 88.99349871 940.5088945 3868.707883 1530.28261 895.2021158 3010.149631 1771.709334 3146.885362 606.8287966 1585.630377 3498.701236 3952.365797 2811.05124 1684.603931 976.0123337 83.66896476 3401.160556 103.9393404 946.6188509 4-[(4E)-3-hydroxydec-4-en-1-yl]-2-methoxyphenol 942.1007977 325.371899 220.8879476 5460.808792 1297.558818 1310.655399 1146.901526 91.43851365 505.7245334 4.07813e-08 4.07813e-08 102.9810843 59.77519159 2.706564157 45.03038499 4.07813e-08 166.0010222 146.6750953 1414.045597 994.7646766 1008.129762 5134.168238 1560.416005 1963.144252 998.5353801 219.2055734 388.042629 4.07813e-08 51.70454764 189.1777773 186.6850143 58.5018784 4.07813e-08 49.56144586 55.99922726 4.07813e-08 1061.636155 898.4090328 756.9384722 3423.280625 6346.220452 2063.158209 1935.068567 0.281933663 205.3167356 773.6192267 862.8699882 1982.015273 1067.541846 539.6726677 4.07813e-08 1277.178485 57.07468323 304.2973993 2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid 2627.665294 2479.205275 2847.242925 1880.743847 2547.522874 2353.349641 2991.351384 1043.991991 2435.79628 789.2443538 779.9255003 263.1858211 505.1512882 428.4880985 553.5136429 147.283864 397.7108943 563.4178599 3470.743299 4684.527441 4502.806718 4686.011251 5192.490064 4331.940487 4237.476507 2543.076979 2383.251214 285.4773983 396.9977833 561.5876424 409.8448235 515.5792588 711.2483838 488.5438305 190.6477702 188.4051325 2538.094004 3841.640947 4084.505934 3747.67208 4683.498566 5382.500462 4157.486117 2890.303 3515.738809 4553.562626 2827.475902 5481.719845 2556.362208 1684.28672 518.9551314 3554.320111 922.3296791 2685.039502 17a-Hydroxyprogesterone 3662.354967 1502.232725 1952.907442 2532.830783 3871.994545 2804.556706 1647.287889 2512.251067 1694.016922 72.40599448 95.25036942 4.07813e-08 76.02340514 103.4180446 4.07813e-08 378.5442719 57.54327708 4.07813e-08 2631.312664 2274.198404 2291.652881 4223.995638 6219.742252 4517.479262 2759.042928 2614.81806 1550.655944 4.07813e-08 144.6135221 4.07813e-08 4.07813e-08 89.54888065 91.37838567 101.8236894 0.009370923 77.94148884 2442.108481 2401.459186 4448.083812 2937.709437 5536.817518 3258.223397 5673.156892 2378.044314 2418.63224 4278.055786 2973.232223 1441.568512 1032.584426 660.7465723 165.5577107 818.0410273 551.4553057 737.9830809 7-hydroxy-10E,16-heptadecadien-8-ynoic acid 183.4927677 33.43419878 643.6517995 592.903026 953.7945235 1368.368688 767.6180753 188.0030445 360.3561241 33.24337172 12.15840003 78.27106413 13.97034872 44.23763553 5.725147051 18.56872337 11.94904532 7.325194912 2246.198386 2358.145454 898.1882649 1390.18698 2217.5461 2298.6178 1394.44129 2259.535313 2499.096531 7.280533837 4.07813e-08 66.20817644 66.47684046 15.20170143 30.32917173 13.47058526 465.4768896 22.74219397 1157.701796 2610.616683 1321.785748 2571.413707 1971.178177 2033.813378 1531.040008 2391.462221 2630.455209 1770.717294 1148.996432 1269.438816 672.2160716 865.9285161 18.24843705 1247.565947 16.47483589 1602.654412 2',3',4',6'-Tetramethoxychalcone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.014871685 4.07813e-08 4.07813e-08 4.07813e-08 2084.871057 1372.883159 3293.43668 3114.101377 5413.303889 3103.309798 4056.141811 6297.364183 2146.239291 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1095.746683 1819.873661 2275.636693 1989.549396 1857.681406 1091.938351 3548.056053 2502.115224 7217.105067 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.002212759 4.07813e-08 1864.778395 4.07813e-08 755.1032882 4.07813e-08 Prostaglandin E2 methyl ester 2034.096375 210.0970246 2314.120538 1138.084058 4438.751257 6182.791416 494.2763494 3031.178177 5614.935216 128.3802761 40.70538791 39.301658 136.0108628 33.61278552 405.2284802 4.07813e-08 147.2556514 12.11467952 5188.369448 3871.830042 6567.517823 2724.476339 4887.963588 17420.52666 3474.125685 3063.099128 6230.767313 4.07813e-08 177.483539 4.07813e-08 25.64559508 86.22035358 31.88182434 4.07813e-08 4.07813e-08 91.58434558 4283.374492 3176.216025 8450.06663 9332.484231 3397.25124 5038.708324 18920.46646 4289.194741 2879.575257 7534.264962 6214.344142 3599.044991 5457.206715 3883.631803 67.66887019 722.4414502 54.56950502 1942.59055 delta11-14-NeuroF 29078.99343 30234.08424 25965.01397 25865.88012 29740.7213 30097.62191 29576.01321 22600.95576 28490.87464 12566.33477 13660.61821 7088.632807 13370.03619 9033.174028 11707.72944 3098.602893 4583.803388 10649.25525 51474.46066 50433.35836 44110.11357 46901.06753 52235.53716 51024.5222 48178.72549 49008.41362 48965.32927 5222.153497 14570.05102 11448.28666 9489.987242 18312.92267 9982.963732 13003.32012 2759.36357 8314.664536 41963.77256 47321.16592 41696.4456 43708.1941 42708.25268 47541.11488 46773.11598 48207.08313 56306.24535 44297.83548 41067.58846 43955.50773 33464.4746 29678.65609 17861.93002 39533.1272 11566.32086 35702.57682 Retinyl glucuronide 4.07813e-08 50.80049228 1163.533675 360.1256088 8.479568957 212.4604428 559.1315068 134.2514939 248.8603539 45747.6777 40924.42289 18595.22341 43083.45115 19989.58974 31559.51336 10226.03079 6626.954629 9748.114308 104.8783771 88.16097664 10.97415002 166.3451281 491.0041216 248.948947 383.6584796 201.3904257 319.9114807 4068.170201 15616.69411 29235.66247 13501.31406 28598.9541 20358.63677 12216.42363 7574.25026 17987.17856 96.03729837 310.6313761 19.08805522 221.4351336 483.5577885 503.9110175 120.7841135 235.1260451 232.06367 413.3888006 253.9907751 414.119533 1077.373337 167.5601153 25197.36534 56.18550527 18276.35813 559.4138801 Methyl neopentyl phthalic acid 3457.561976 2535.787436 2760.71822 2389.254611 3313.612113 3620.927177 4727.969599 3360.488759 2469.972279 4.07813e-08 0.820648109 4.07813e-08 107.7487435 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.43655637 6091.193643 7341.435178 4176.763195 4847.097428 6238.547245 7279.521126 5666.069612 5394.615258 6767.507731 4.07813e-08 4.07813e-08 61.13239426 50.06279554 182.3877573 76.88957211 4.07813e-08 4.07813e-08 4.07813e-08 3890.738557 5212.299523 3613.549423 4092.62568 5290.359395 6258.246048 7800.823221 5529.168249 5398.630724 7212.121613 5483.752366 5161.613441 3734.874424 1719.365674 1426.174232 4921.658364 117.3561542 7206.131345 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol 4180.388338 3384.373882 2856.031233 1748.403569 2517.199637 3768.4707 3797.422465 1858.889266 3109.534648 704.4354166 817.6950904 126.5121558 1286.933572 4.07813e-08 635.7676034 4.07813e-08 4.07813e-08 52.73477352 6645.548458 6597.061286 5317.075607 6967.761715 9434.98392 7378.074041 5419.369383 4446.493914 5880.069663 127.7562715 866.0103764 936.3284887 540.6208225 1736.61101 971.0100221 725.2186969 55.12186263 406.4713815 5290.951615 7091.679751 6150.325546 6115.194779 7927.840829 8404.822149 7268.103395 4309.726452 8078.122787 7087.744706 4940.706179 6604.00184 4718.798691 3503.393525 1651.628804 6322.552965 1183.24185 4486.037395 10-hydroxy-hexadecan-1,16-dioic acid 63061.30277 54186.29536 64889.37103 60167.1397 71387.36507 71332.55996 67282.75396 49236.46478 59595.44941 21095.3058 20307.221 12175.60483 19807.91584 12401.5424 14772.33673 13714.32889 11867.20509 18756.18339 73332.11255 73643.87157 58015.14554 63640.99385 77379.03301 82328.3868 72447.61165 57350.92578 66452.46278 6323.53242 14771.46246 17789.20125 13264.06853 17058.11396 16831.18298 13437.6699 11317.56334 15724.06303 55197.57455 69330.31946 58411.53641 61001.27111 67770.84191 80928.57778 78693.50502 56018.90164 68998.89756 66646.60215 55527.69095 59485.6417 51254.36666 44248.4509 16703.30885 64143.30775 16147.41734 64878.63575 Salutaridine 8034.427157 9676.323151 8884.618356 13604.13872 15076.20997 9937.993939 9196.893623 9840.799208 9074.400081 8310.991768 9469.546406 9222.614989 10105.44967 9295.06976 5018.51356 4082.70147 6649.2986 8710.003474 16463.64552 12113.49909 12633.24358 14408.38545 17157.46656 15050.01154 12907.77967 16010.72241 15765.32908 5411.388153 8975.007642 10461.50054 5643.4475 15156.64703 8563.820309 5431.396445 5564.570243 5978.438885 11540.28203 13994.54096 13899.03556 15389.00652 15585.53202 15157.43403 13435.02134 16679.02285 22506.68999 10444.14437 9075.98977 11068.8957 9408.928257 10647.91493 13240.56917 10064.75863 7445.925297 10375.38726 Santalyl acetate 2838.881586 436.5459115 1445.479453 1794.050595 2357.871269 4064.488187 1512.619786 613.9771578 2003.252508 4.07813e-08 78.68964828 58.0600145 102.5338243 4.07813e-08 4.07813e-08 80.22936903 245.8673309 4.07813e-08 4374.883405 2791.912531 1967.284459 3875.884874 3747.636259 4199.88493 1911.922717 286.0917852 1179.263658 4.07813e-08 4.07813e-08 4.07813e-08 49.05011993 4.07813e-08 4.07813e-08 227.2425345 4.07813e-08 73.03329966 3773.135877 3643.061816 2687.535694 1916.475166 3967.051909 3724.641979 3786.847474 578.8969196 752.2150662 2225.182043 3111.470838 4496.01986 1574.932704 1370.850706 169.3971045 3576.287759 4.07813e-08 1736.101043 12beta-hydroxy-24-norcholesta-1,4,22E-trien-3-one 599.8785959 0.028975052 1154.134982 163.2441652 1070.666913 673.2660568 119.0086626 109.178961 1066.421478 525.197746 429.2927415 3369.903875 89.96941236 2851.33554 2204.229006 1009.453716 1031.122575 6234.646598 546.7454378 281.3051248 670.092285 617.063694 499.980159 3.99422872 253.7516979 1183.209725 143.4624642 3700.948289 1416.089988 1047.768977 98.68292574 1.925304221 640.1176828 616.7762114 190.582657 925.4552062 1677.723155 0.480383165 224.1768056 2350.88486 769.6198014 396.154168 219.403187 300.2344514 1.275173324 136.8234192 2885.66148 2705.841897 977.4445322 1157.796509 993.677661 1188.045138 0.475909609 1.794402498 Isoamberboin 3008.918903 2442.430801 3847.747471 3553.311926 4907.080744 1699.25966 2303.157781 3497.942705 4701.114079 747.3560651 168.4070139 668.1331484 727.0524299 1086.471632 223.3143383 1324.913201 344.6873992 2417.165817 5451.252188 5956.069535 4169.653256 4223.556393 3642.259121 4754.987866 4291.385961 2255.992684 2714.110749 516.5210662 45.0921746 277.1785108 296.0242405 190.7775085 389.1365955 434.7757986 278.2684487 513.8138564 4219.512719 3182.609817 3191.22296 2861.517199 5114.116878 2976.005193 4571.64859 2484.110487 3367.233788 4462.235057 3723.793252 8398.131535 2928.212596 4117.987243 3158.196858 10993.2708 750.0192347 3879.412365 clathsterol disulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38762.3383 38503.545 15143.23411 41894.50061 9329.598632 26754.62752 47829.21609 23016.61368 15748.66383 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 429.8597442 4.07813e-08 195.9264834 22867.9587 32942.24109 12185.27866 48117.27027 16263.19729 24931.88226 77533.75639 45218.43761 26768.80216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 144.7558439 4.07813e-08 450.238593 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9821.670092 4.07813e-08 8442.441259 4.07813e-08 Ajaconine 7080.604421 4686.138065 3290.765576 3835.059452 3939.012707 3617.303033 3923.276951 8650.045362 8784.192596 596.2160278 402.4632727 174.3868289 101.6520194 465.9439286 860.4603908 4.07813e-08 68.98888894 1123.918129 7498.606148 4274.798114 2520.90194 4768.962992 5356.309755 5571.787634 3946.904796 4609.346848 7956.501163 1109.062258 1135.480245 536.4676086 536.6168317 1710.288665 1393.896586 1512.724813 1104.836868 226.3362411 7446.206554 6244.945324 4443.050271 5056.360299 5056.579544 4702.495658 5224.617943 6296.22025 6044.756335 3014.646017 3357.56322 3403.963916 4034.384687 4579.635427 1819.266364 5012.164719 124.7771502 5227.644134 Annuionone C 4141.155726 2449.108998 1515.134099 888.3902503 429.9481495 2074.07061 2821.798159 2226.580959 2093.877688 431.9729594 313.7084458 143.398559 379.9254663 146.1361485 262.4832116 117.844804 4.07813e-08 4.07813e-08 623.8247213 389.0328624 414.3298706 645.4024641 130.0099205 600.3036772 261.361446 710.0094112 592.6768328 88.64737708 102.5634367 397.8994106 293.0344468 193.8891648 231.0114656 422.3239019 573.1881806 435.8945119 874.2400449 1155.23824 1216.270847 447.9766258 163.9612664 529.2801023 540.7120743 577.896181 622.9087733 176.7401242 532.8346462 888.2573107 1027.534459 1088.981957 281.5793327 1194.49904 76.93069058 1395.672116 PC(P-14:0/0:0) 3644.61029 8142.055325 2942.993938 9624.129016 9825.418979 4313.985688 4053.661271 4253.207327 2604.728653 6191.874269 9081.859629 14627.30826 7196.507889 22888.03615 12443.13311 10129.95449 4.07813e-08 5979.8078 17680.10839 12443.34714 7398.860049 7643.657525 6763.209663 4506.893514 8258.450731 8410.155797 6928.62274 220.9020697 10136.34887 22001.39843 10124.73134 19885.24751 17809.76953 7194.518632 9336.732904 16640.36042 14259.06025 6117.961026 8628.97248 6176.168942 7088.358229 11477.86086 3668.526381 7544.525311 14636.11644 5758.142545 3681.536147 4735.116742 5951.047491 2757.620654 14095.28603 12312.02893 21564.6632 9791.833303 Citronellyl pentanoate 2882.876937 2350.647202 3085.37939 2743.937964 2699.804191 2118.642765 1639.724296 3245.046444 3022.744613 1508.476599 1592.088045 1099.180082 1597.670436 696.990956 591.8456082 1928.879413 4.07813e-08 1364.328892 1298.856947 1438.919223 1592.52689 1897.003211 1087.221292 1315.394688 1867.483818 2019.430908 1656.707523 377.1305474 1967.96874 1790.053012 1434.190312 1349.079931 1962.566442 1511.23828 639.6486539 2112.987237 2263.750456 1501.571161 1857.865569 1267.395335 1688.083789 1292.470855 1520.054434 2138.002035 1588.112586 1947.917271 1279.229834 1016.527502 1940.162573 1865.821967 998.8190305 1394.214438 2187.880496 1725.194338 Prednisolone 21-all-cis-farnesylate 4.07813e-08 4.07813e-08 4.07813e-08 7050.969947 387.6742249 319.8551778 215.4749447 4.07813e-08 284.8263163 1682.475234 35983.22254 18597.64312 696.0900416 63428.48356 39207.93211 169883.3281 1360103.036 919.8210051 881.9866256 292.3892847 4.07813e-08 7953.100484 2982.81143 3040.179255 1016.002509 52.59498614 1712.271563 883510.4518 3221.82697 6971.060866 2643.621794 11331.9488 17796.75305 2579.703135 597685.3375 2292.304337 58.71990732 4.07813e-08 4.07813e-08 4766.531335 8158.339599 1096.315411 1990.047003 147.4876773 751.3964922 4.07813e-08 4.07813e-08 895.9724497 4.07813e-08 4.07813e-08 5399.085384 190.1176466 3026.363007 61.73819905 2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam 3797.61459 1795.817284 1265.857256 2465.354263 5053.217854 50.35334545 28.74548273 1375.180431 67.17675995 1031.446384 1403.638431 1832.728753 1950.391574 2455.927871 83.37529661 1836.475683 670.1429699 102.8701039 2958.076954 640.9598251 375.5952524 1600.666841 5814.444866 2315.330127 725.8346536 2403.206467 128.4565861 4.07813e-08 1003.135594 1785.525408 169.7905459 916.3410498 386.4915213 180.2727777 78.75462969 267.6935328 1532.819109 1841.847498 356.0678819 796.9669934 1810.053801 3585.772817 3171.051564 2099.257668 7299.96475 21.51588795 141.1386488 4.07813e-08 48.98943315 187.8247732 60.19209831 1861.261111 847.7185249 1142.616519 Triacontanedioic acid 2838.088984 5237.637908 926.4872761 1603.301796 1162.165961 586.1491287 3993.269321 6776.08147 2294.921925 10696.32037 8623.574416 7111.309055 8761.453253 9910.763841 8377.296912 3012.75885 13049.38356 24376.45507 2881.703001 1028.369796 3296.889504 3146.150542 4.07813e-08 4.07813e-08 2956.486868 1373.938907 4.07813e-08 8579.810373 12428.60423 10980.58641 10646.83746 15433.23456 8562.595725 10508.04664 7426.096791 11526.35957 10140.30237 1222.231347 424.9087855 4.07813e-08 1537.78425 1596.562802 4.07813e-08 1437.955267 4.07813e-08 4.07813e-08 205.9815471 851.2321284 4280.743988 4405.868536 11187.14074 2182.626566 9581.166874 644.203256 Panaxatriol 4.07813e-08 4.07813e-08 7.706612419 26.12682835 14.62026351 21.4161738 9.748932232 8.365119884 4.07813e-08 4360.824916 7390.424329 8273.5622 4328.875564 15295.17115 10487.53343 3259.135345 28993.88699 14722.22422 4.07813e-08 12.64422028 4.07813e-08 70.73470967 37.02694178 13.81715931 0.374809637 9.839306173 19.04132538 4464.311124 3867.389331 14422.25643 5373.981893 9711.119315 5971.460827 16749.71795 10834.92167 7017.552192 564.3481353 12.94074309 4.07813e-08 28.64906232 65.11683672 23.33179034 6.670719187 0.232130993 33.37849603 0.212907976 9.094330199 31.0577661 234.629022 4.07813e-08 6404.965285 0.328061327 26598.94649 230.9829107 4-oxo-Retinoic acid 442.7193418 4.07813e-08 1128.9199 1557.441765 3518.183895 324.8870955 310.0486787 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3561.088431 3228.624081 1925.204988 3459.323455 6943.806888 3943.953755 1934.953293 113.3831851 1376.583963 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 723.9455423 3652.573586 2024.263779 1970.963603 3877.578512 5153.632344 3903.346102 180.1227205 1295.731887 4.07813e-08 2072.812183 2224.873702 972.6227466 1306.594175 4.07813e-08 2799.66145 4.07813e-08 4.07813e-08 U-44069 2454.63496 2656.153971 3368.3936 4704.751043 3150.665486 3573.243327 3672.524963 3718.573791 2905.894501 1810.85004 1216.997648 4.07813e-08 1578.763615 1462.197334 22.86774557 438.5583838 219.6289124 479.5240612 3093.414394 3785.616298 3155.778273 3590.812544 4616.215372 3733.368762 3804.9939 3902.021615 2526.253464 4.07813e-08 382.6049298 2239.832229 379.7772039 1003.51451 511.2848362 147.1397193 798.5442787 609.3756606 2442.532307 3923.111 2267.071574 3921.284217 4481.362867 4013.900147 4335.362536 3148.595599 4675.466687 3246.051719 2432.089942 3436.58705 2355.224821 1162.939077 702.8541624 3719.63024 965.6611381 2141.558744 11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-27-nor-9,11-seco-5alpha-cholesta-7,22E-dien-9-one. 1784.059635 2285.731112 2101.898513 4669.010162 3853.832494 3762.003451 7104.766972 7321.32426 10342.36107 129.7442254 374.2053162 408.4703091 636.6071511 1790.812879 1490.230944 476.7018689 3165.644017 1393.511836 9925.853362 9139.673392 6401.458069 7054.519735 12004.4191 8799.736147 9894.94454 18205.7524 10627.66012 432.7357445 227.4476443 798.1293587 226.9541585 1496.416085 544.2180513 449.1910875 810.7354284 334.1691935 8845.184905 5325.543358 5379.738755 6681.686809 9801.993787 6667.033511 7049.874461 15040.39079 14562.63489 23194.32362 12852.91567 14320.39791 3173.652554 4543.676701 2257.067778 10824.80903 4374.28837 5298.319119 9,10-Dihydroxy-12,13-epoxyoctadecanoate 9548.550105 5836.354812 9938.606929 8968.78417 9750.681647 9430.482691 5396.214602 8957.561167 6990.555165 3864.543314 4423.420372 26234.31801 3470.171745 30785.16353 7248.824522 78621.66426 76089.11273 24140.12433 14475.88877 6733.625202 13076.7135 9144.990264 12388.6139 9963.229826 6198.046211 8867.822452 6476.104767 31082.26715 17695.41896 23126.29621 6877.87755 5779.715395 2143.013493 7540.968335 48035.23772 19703.97624 7134.31811 8758.507946 10861.29535 8474.247317 8490.363078 10781.6423 9052.699209 8188.341086 14234.94551 7148.683816 9461.969776 10072.07045 7709.738751 4001.029779 2020.740926 11633.09908 5114.159713 7094.507267 (15alpha,20R)-15,20-Dihydroxypregn-4-en-3-one 927.6970164 602.9165268 2142.949374 1910.323053 826.8648258 1939.837797 1309.026287 135.1237781 310.3765685 1657.730877 2482.34037 1535.975058 1051.086893 1730.338868 1088.574567 1839.680347 4.07813e-08 1945.417522 2619.775214 2085.069197 1563.96382 1530.245266 1450.885549 2684.668609 2209.22559 2665.933215 3040.483191 480.7889037 1633.662445 576.7804952 1075.61492 1058.884403 962.0642078 137.6848844 111.5441671 108.3072051 1732.063463 1541.866001 767.3636802 1194.5148 1464.120411 1952.682839 2770.54444 2782.857974 4266.481404 2315.178006 1784.406475 1512.26322 166.8862131 475.4397349 438.1435317 1282.269929 4293.940478 1611.230991 19-Oxo-deoxycorticosterone 439.8378865 1382.258959 375.1187063 1375.29793 277.11661 282.860989 1432.550577 158.7737906 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81.66107924 4.07813e-08 4.07813e-08 4.07813e-08 734.6037268 4.07813e-08 1668.116456 6765.235914 1439.576775 4863.492931 5500.349066 2328.779582 642.5001687 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 233.3273734 489.3868178 9976.985379 1479.736137 2195.258604 5433.763321 6026.774373 2094.32339 4.07813e-08 4.07813e-08 3281.054535 3269.940086 6262.21685 663.8164258 891.7893933 76.2146718 1791.185996 135.6536523 4.07813e-08 Calenduloside A 4.07813e-08 2.03033877 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30369.82363 27393.72106 20083.09674 23604.19394 24028.31546 19667.38953 7382.142923 28314.55757 44630.32279 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 332.0498817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13213.21659 22704.91893 20601.90781 22174.25311 30700.4099 17145.53446 13092.88067 10464.00197 13419.45039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 384.7172333 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20065.29527 4.07813e-08 42084.61402 264.7354824 14-Hydroxy-E4-neuroprostane 5770.730743 3808.358902 3832.061279 4242.42593 3603.845298 5496.272827 5541.910025 3548.402515 3874.058023 387.7499426 1121.817536 462.714383 625.9179047 964.4566882 715.3492033 4.07813e-08 1856.859959 807.3325519 8240.173714 7262.966358 5569.391789 7264.271735 8302.128913 7105.60727 5068.922674 5499.227599 6380.817094 0.467207012 329.3148985 125.1109606 341.555947 903.018948 4.5521e-05 245.6473934 368.033751 4.07813e-08 4748.045905 6672.052008 5548.296578 6147.578226 7666.765065 7701.336057 6723.146071 4851.925263 6224.824138 7279.595898 5981.311273 6034.796749 3282.864372 2868.230031 649.1213985 5455.460355 487.954081 4528.278335 2-Hexenyl octanoate 5791.390204 5343.880688 5713.46162 5450.510156 4526.344197 4209.596191 4052.509921 5299.008873 5208.502296 3529.74815 3042.345878 2882.769275 3484.105143 3729.233863 2832.331118 4561.409083 4007.028699 4179.869479 2972.802756 3617.216509 3174.933881 3753.514699 3248.766993 3307.379952 4616.382591 4773.381359 4384.942584 3373.299288 3203.431862 3644.413076 3636.753212 3175.561001 3993.498221 3351.021016 3336.659508 3917.958383 3804.00104 3111.609516 3679.83136 2986.63731 3979.083446 4257.948944 3907.247704 4822.717895 3379.402337 4202.184792 3788.173572 3468.68368 4403.037691 4370.852972 3399.023687 3594.030556 4357.054484 4688.856967 Thermospermine 7945.724105 7997.561515 7771.938066 7143.870356 6863.506174 6416.232051 5754.958605 8547.235093 8092.602783 5383.566295 4859.045954 4478.74423 4461.56061 4592.167763 3762.67373 5994.620301 5001.092103 5893.377683 4690.674365 5397.96496 4890.070727 4305.400772 4352.263332 4046.075075 6450.395095 7210.592567 6382.290555 4687.529228 4923.191919 5672.361741 5473.586061 4369.36273 5943.902404 4785.422999 5431.933558 6628.363801 5711.408681 4636.978509 5350.298166 4470.548659 5722.471445 5657.669953 4931.013175 6581.767056 5138.875028 5683.076378 5696.330231 5175.477659 6354.600112 6362.321979 4886.540056 6320.459976 6078.985821 7089.600791 Hydroquinine, 10,11-dihydroxy- 12514.37729 87581.47848 25555.10744 121655.4587 48054.48791 24199.7756 20337.69061 11426.16866 2510.327787 965.7724952 744.7071865 4.07813e-08 1393.28666 4.07813e-08 271.6724743 4.07813e-08 4.07813e-08 685.8203473 4323.921443 456.5139867 7450.040139 10531.09856 1314.90129 435.1863281 3141.186425 19359.24507 6317.69471 4.07813e-08 957.6284867 4.07813e-08 912.320997 4.07813e-08 480.10811 4.07813e-08 4.07813e-08 644.9057031 21144.06607 9651.750287 15096.624 5127.15628 8569.515403 2792.730287 461.3058415 11962.56303 45563.66538 871.2064027 4.07813e-08 5158.810034 9498.951789 22763.38627 610.9502379 1519.134941 4.07813e-08 4126.372309 IDFP 5424.367027 6213.429141 4321.635538 7109.410744 4067.337544 2002.679402 2244.720254 8914.324495 5552.177799 21478.54442 13217.91448 12466.96449 24342.41542 16247.62722 17093.06161 18095.94555 16584.44159 27569.8344 8210.065377 4468.521883 7200.103536 5373.590657 3357.761729 1853.506846 6366.727334 6400.123247 4354.480681 31797.93764 17767.49608 18204.68261 16041.67903 20016.27304 20191.43529 29038.32758 7922.876115 68579.32996 11251.20407 2462.42034 6380.256916 6412.199213 4162.762091 4388.404649 1973.970594 6742.428739 1452.969321 3734.44377 4058.669914 5046.660443 8462.821167 13706.78365 23240.99684 7231.855296 14142.74435 5663.577145 3'-Hydroxyminoxidil 31054.76287 15108.08541 23446.45436 22272.72613 25302.91418 18566.34232 18547.21355 22580.77023 18522.0003 6229.909821 2131.923329 3954.534392 5221.110656 4362.820941 3886.101128 2724.55261 889.8735646 5449.56024 29964.51322 22603.02606 29949.20173 31675.74423 39137.3165 31497.43824 25991.46292 26040.99501 30794.21856 3366.666239 4473.900226 4745.798618 1892.91843 4923.832887 4061.877545 5629.23939 3130.874982 2797.064606 37398.44105 27299.74498 34265.80083 32467.16556 32846.91998 29268.27023 34371.01571 26273.50096 27929.35689 16111.84451 15399.17854 26193.6429 29194.58979 27187.19492 6152.749319 21365.41676 4618.985542 26332.9415 Galactinol dihydrate 4.07813e-08 3892.91785 886.4974046 4.07813e-08 1321.875288 4.07813e-08 453.4434197 2597.721403 898.5542068 21538.00203 23755.31202 19601.68939 25722.22747 16565.359 13032.09843 15304.15317 16738.40039 19926.74118 1215.521381 4.07813e-08 4.07813e-08 736.1164693 344.3491405 4.07813e-08 4.07813e-08 510.5022499 4.07813e-08 11900.74088 18303.23947 29942.05902 17369.26921 24971.26017 17888.81729 12673.71703 8721.715073 18676.32933 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 749.7565742 4.07813e-08 561.7337889 4.07813e-08 4.07813e-08 304.6061119 4.07813e-08 2441.73179 4209.723071 24438.98847 4.07813e-08 16974.42677 4.07813e-08 Crinasiadine 62757.03173 45075.35622 49239.36559 37659.75627 43563.52646 30367.92909 42601.27719 44696.60274 52510.89154 19095.17787 15999.80194 10075.86315 21654.13427 16252.17059 13195.60111 9180.121304 10944.14651 14077.67384 88562.73095 67689.10021 76933.63716 72703.58664 60194.26925 52456.42511 59118.79636 60509.11768 65871.19129 13954.95317 16755.93115 12739.88988 12268.09933 19184.20948 16639.74654 15814.30419 12233.76523 13587.12646 44373.03586 66234.69102 61241.86889 73405.90732 76374.61451 63279.6559 46296.5515 59273.12131 83439.28779 64047.47032 53741.37 52216.88857 47853.40352 36628.47567 18562.1827 50808.21763 14810.53286 52354.98779 Glycyl-Threonine 2482.5796 13463.29708 4577.287216 2809.732548 9843.683104 2710.856148 3779.163674 10027.33455 6277.042691 4790.373283 6883.873227 8168.051887 4905.119268 14250.9154 6168.08036 12444.75606 24666.354 8123.401832 8683.268317 47646.55148 8510.840946 8851.241947 5032.974174 6197.188568 8798.654108 56086.75829 30549.76479 17156.01179 12935.10547 23840.04429 24599.64758 37166.61201 11498.38681 3595.623626 36788.13247 28998.46982 12339.9344 5740.032352 7296.708614 5560.477994 8635.526006 5173.900182 5914.252291 69665.11888 11188.84984 9014.575144 7336.770011 3730.222666 13925.04144 12928.63483 18437.04649 6400.176644 32423.26866 7596.506779 Ethyl (E)-2-dodecenoate 5326.464163 5846.87859 5555.406153 5995.731175 5818.130644 3956.138706 2949.679832 5880.977076 4135.036007 4016.160732 3148.676748 2613.390445 3384.78425 2939.193141 2520.647404 5310.325356 3969.989083 3600.259614 3422.372096 3272.807449 3206.248294 3404.301958 2674.757275 4080.878329 5037.948133 5032.679254 3660.934612 2176.3458 4431.583509 3463.803899 3574.53039 3525.572347 4490.274805 2771.143464 3907.688675 4229.211628 3803.375972 2867.324206 2439.02508 2807.4854 4566.571451 3975.070152 4038.295998 4586.080501 3933.841186 3863.398533 2918.536192 3219.562877 5850.795405 4672.488927 2827.91547 4330.607411 4151.406378 4572.054911 Vanillin 4-sulfate 443.243449 425.2381129 491.1485236 496.7776331 264.5341491 4.07813e-08 313.3297091 4.07813e-08 442.5686272 1306.018006 1116.270101 1629.587944 1267.326794 1311.057782 621.4132995 791.0037412 734.7499895 944.532046 345.6111964 968.2280046 264.1968166 710.6067381 391.180543 321.1710593 2207.175563 581.9797316 955.2320766 2572.651938 1142.645094 3558.572382 1682.46508 2251.093383 1034.257194 2407.379787 1306.578982 3012.634496 1082.60766 444.8804028 4.07813e-08 4.07813e-08 368.7037576 875.954973 251.1863417 382.7410298 997.8082432 145.4379322 130.1749302 140.7406045 516.2978886 1062.826089 1114.904709 375.412113 1454.859478 866.3630829 Gravolenic acid 0.172081088 4.07813e-08 593.228579 2548.259974 2623.19257 675.8613271 485.1688174 273.4724413 4.07813e-08 4.07813e-08 4.07813e-08 364.2375388 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1265.723619 1734.394632 1189.330935 689.1107385 2673.378906 263.5087802 1240.410011 942.4958327 3084.357311 4.07813e-08 4.07813e-08 539.8953474 229.8596581 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1728.051087 1035.547836 805.5628977 880.8843357 4.07813e-08 1716.241073 1413.627236 1818.016299 1402.911958 953.8920213 1252.823033 1510.875187 578.2472847 758.4585338 309.596012 2421.696524 4.07813e-08 1021.148679 Artemidiol 3130.553271 2531.762519 3613.225134 4168.229256 5516.921365 5173.641902 7049.667542 5233.818828 3623.837851 4.07813e-08 4.07813e-08 4.07813e-08 101.6236469 4.07813e-08 83.78777956 4.07813e-08 4.07813e-08 4.07813e-08 3573.176066 12190.84795 1723.676067 4488.948072 14832.28219 14092.41764 9060.973384 7059.23129 12183.31394 4.07813e-08 97.86668971 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3624.544037 8125.071297 2392.3978 6650.425689 6049.923757 9321.696747 13706.45176 4509.389494 10663.49975 11248.20195 9235.892261 5048.035476 2707.900991 1715.863574 4.07813e-08 3720.225618 4.07813e-08 11795.31366 3-O-Acetylhamayne 4.07813e-08 2485.744038 117.7217871 4.07813e-08 68.96752881 346.8472179 4.07813e-08 776.8175284 3528.314575 33708.29623 24344.11587 16804.55559 33569.2898 14061.572 26996.18213 17665.1591 19263.79193 28493.78064 61.2650281 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30251.08175 23088.45935 20008.7963 17112.48089 21817.02342 16501.88719 25054.96722 16346.84601 20946.70991 43.41610035 4.07813e-08 185.4057142 4.07813e-08 343.5314178 129.6252424 4.07813e-08 4.07813e-08 138.3142769 4.07813e-08 212.6332948 138.4798921 664.2457382 3805.165985 18181.15094 196.8548592 18344.55977 92.03906666 4-hydroxy Nonenal Mercapturic Acid-d3 3822.619588 7915.825415 2992.285744 6401.233782 3990.873041 7754.748172 2470.78288 4769.123895 5886.248292 2610.06945 3417.592504 2607.608659 5372.831554 2181.464699 527.4397593 4.07813e-08 4.07813e-08 4.07813e-08 1432.415512 766.7653085 2526.845189 2197.777675 917.7640193 1303.046631 1645.441418 1608.773098 2547.850388 1699.943407 12.31336132 349.7201662 4.07813e-08 4.07813e-08 3414.629604 459.6040434 4.07813e-08 4.07813e-08 1137.346764 2096.192723 2660.251342 2380.167781 1497.786858 1262.252103 516.3322665 1700.269602 1263.719632 3090.2629 9884.000206 3710.755305 6496.974549 34043.35743 562.5421443 3766.463143 10993.90968 4675.684727 2-ISOPROPYL-3-METHOXYCINNAMIC ACID 997.0380533 577.5359925 1862.253237 1242.858473 2079.362646 1535.487292 1651.674763 1459.713289 553.6379169 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4640.898376 5101.649799 3089.554469 4315.638279 4999.216752 5517.775898 4640.526842 5802.252566 6111.377266 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2539.497354 3344.579706 2158.59832 3910.815273 5793.10217 4669.675452 5674.488368 5730.507892 6871.745101 4943.16054 3412.760842 2665.407317 1942.740585 1033.606869 66.40140775 2978.514244 4.07813e-08 4278.830967 4-Hydroxyriluzole 14443.83492 12190.60532 15383.96336 12265.23279 10719.35506 8427.200379 9748.897193 14313.49908 15758.16127 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9859.111267 9125.625924 14551.8167 8305.940261 8214.498757 10557.37415 12585.23218 13455.90325 17956.60957 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9054.835781 10807.5788 11847.14359 9968.850443 12641.73715 11294.23614 14147.02411 16329.77164 7896.570587 8226.089205 6258.22125 10751.74774 15150.5134 11891.29106 4.07813e-08 11901.09745 4.07813e-08 10413.85676 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 193.6822751 4.07813e-08 446.1362879 3118.339161 2940.020736 328.511046 7750.21509 4531.223736 1419.934482 5100.88689 11997.7478 130.0621601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1365.345777 4036.304102 3035.422822 5335.301439 12845.26463 1261.450748 2727.213636 1189.422453 2528.588864 133.7489501 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5059.375967 4.07813e-08 1022.545751 4.07813e-08 Murrayenol 422.064213 1291.703207 2011.674596 23935.60543 2326.227812 10255.46622 7207.841577 2077.265897 4567.876703 421.9391963 800.0807663 1207.797547 506.472015 206.2566099 4.07813e-08 4.07813e-08 1668.506976 1133.881391 5778.231136 3778.177942 3721.491932 21542.12661 6115.218855 20942.86679 10680.30148 1969.427743 7857.744182 197.0418383 246.3165439 2459.012607 826.2644762 575.9787465 126.3794006 192.538558 4.07813e-08 4.07813e-08 2218.040954 2100.690637 2272.845212 13826.82935 23873.81062 4481.657416 19086.0671 798.3337823 2574.841935 6916.128817 6420.222131 5851.256205 4354.826878 1076.175508 349.1403766 2927.750882 891.0155069 3339.558732 Methyl 15-cyanopentadecanoate 1368.159532 1345.731817 1219.141828 1486.076392 2047.352755 826.9468839 2108.383545 874.4308208 1452.815992 1290.274414 1307.754118 1107.01801 1472.972034 1413.468649 1221.394065 1572.50569 1097.370626 1199.238477 812.1226884 397.8877056 697.2126071 1298.269876 425.1160568 727.2289469 658.2608267 659.7833034 895.6191566 918.0812432 1255.67271 1482.644843 1276.485558 1307.690977 888.1932606 862.5420679 917.1326639 1526.178845 1104.089734 1015.029098 988.2408814 1220.022979 368.9322689 698.4146069 534.9896098 1159.185346 908.0398393 1101.160323 1338.347307 1141.558522 1238.950054 754.3547934 1023.913212 759.6046872 1127.862107 1233.735292 O-Methylandrocymbine 892.9628086 382.3329401 1389.694051 1112.470299 3551.566986 6747.115215 6882.109802 2530.308575 949.1691632 1118.814461 935.8214692 2208.174643 921.8682067 1847.025265 259.8875743 1353.038173 2628.732026 4127.017481 8911.468667 10206.8944 8448.902146 10543.15454 8670.247377 11672.50921 7823.232004 4197.163735 7507.412601 7566.808026 6461.019548 3806.117525 7314.691761 10564.91923 3475.121027 1990.267029 2879.861678 3538.982786 14365.69504 5613.223203 6296.321512 10575.5337 10378.08088 7973.06829 10102.26291 5020.964093 5629.292991 10855.07456 6692.879984 8329.026234 5798.644053 5910.868641 6658.883717 6448.535599 3415.729959 4987.400723 (3beta,5alpha,9alpha,22E,24R)-5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one 5973.737126 7174.445351 9053.223716 4532.398926 8303.682592 9335.597584 5817.799423 6576.16535 5094.131617 707.3216528 2489.581301 3306.280475 214.6010011 7111.499131 5193.938893 1915.934069 36418.12542 7825.667742 3021.147793 2245.074777 1740.663499 2981.270481 3549.588208 2895.923761 1628.368495 1678.107325 908.507897 1382.641578 394.6777936 270.5257065 4.07813e-08 757.3691659 143.6067605 133.2093592 1953.605258 155.0648624 2482.013406 791.4089203 1005.006676 2778.546739 3263.416711 1794.683292 1950.003401 1592.372521 982.7463271 1209.083305 3935.579497 2328.503802 868.1887899 201.8250333 465.2194974 1954.256601 179.7850639 1174.605397 19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid 3808.842705 4858.54812 5395.322602 3039.775513 868.6751618 4964.091508 4296.426815 4760.921388 7108.314861 719.3454863 4102.680398 935.5974279 1015.567183 10534.68941 2265.249938 359.7028544 45426.11737 2128.668912 9470.972495 5309.688922 7482.665545 7064.105731 5839.058477 10972.54499 6997.324107 3496.482889 4993.958883 349.1101369 261.6376367 4.07813e-08 729.9336156 485.2534996 327.4767814 4.07813e-08 1691.733321 4.07813e-08 5992.439637 2735.671745 4025.006773 3139.323887 7357.591168 3772.537916 10652.799 5171.138633 4397.711727 10648.14976 7310.518223 5566.092897 4184.323692 4139.632142 1344.244816 6291.463816 4.07813e-08 6767.315373 12(S)-HETE 6719.274629 2983.966624 6893.397654 8615.392123 5597.196599 11447.92552 6697.435176 3350.461149 5925.936125 2601.916304 1645.110054 924.661272 2255.802656 963.2964578 851.0950645 3216.169922 1613.301872 1033.676928 10301.91314 9175.490132 5805.696435 7742.759311 7444.061125 11573.87424 5149.575898 9557.266983 6007.314434 1077.738639 1318.384409 2255.483667 1652.493037 2773.916643 2025.016065 717.358255 2632.357208 1645.807225 7418.458828 7251.201499 6759.202362 5599.665159 9301.567985 5996.784578 10690.65814 9436.307598 8131.008056 6224.516568 8910.082561 6398.881363 4621.490602 2684.775785 1347.250989 4199.915938 2058.992273 4103.302686 Retinylphosphate mannose 9932.734732 13894.57067 44857.47859 10625.46784 15636.78504 45019.38957 17511.95549 25941.87559 22185.42934 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15.26016493 4.07813e-08 4.07813e-08 4.07813e-08 30463.50063 24449.24689 51006.01368 29960.56389 37846.73123 39237.53577 44263.20324 12442.1088 25730.60644 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11946.86166 8560.338385 35720.22789 40512.74219 31380.20926 62763.24264 49836.40678 9195.364969 31918.61587 71490.27247 45027.79516 32599.90831 26432.4182 24314.16658 4.07813e-08 53955.25402 4.07813e-08 28866.46386 (3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol 1938.780434 3972.79479 5739.683491 5029.892782 7600.398084 5909.540366 5046.396295 4008.076504 4740.253781 2536.078309 3236.437054 2895.356272 1159.101059 6879.831011 6510.664815 3445.92572 32940.77922 8323.996508 4379.359628 2636.901384 418.5990196 1232.180735 2083.728702 2265.01902 2054.90665 3997.914255 1259.555932 1080.606992 326.764187 752.0528424 757.6811376 667.5561669 526.7056903 323.1590025 3237.548999 890.2318646 1949.272643 864.5052901 256.6348636 992.4038428 4032.353015 788.3981094 1691.019477 4361.731989 163.9503974 1965.789741 2807.162545 1394.188698 571.6614382 648.966612 1652.201747 1825.152109 1125.966857 955.1581434 Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5a,6a)- 4.07813e-08 404.9174366 305.739444 889.4784228 1418.808361 3139.736074 2036.456394 306.0231505 1436.094598 239.6941262 200.3515366 182.2966336 222.7838156 208.3922866 387.5015846 4.07813e-08 231.3509023 165.4341274 2432.80133 2179.433403 1585.740266 2784.688181 2727.478388 2400.87598 1200.166087 1927.640775 1409.900482 4.07813e-08 161.2251301 4.07813e-08 975.0215042 329.1587998 4.07813e-08 208.7185887 4.07813e-08 4.07813e-08 1406.862681 1181.828126 1193.053342 2035.915671 1974.037151 1301.207293 1797.760047 1194.432948 441.5479497 4079.486152 3054.140482 3280.727054 788.1654713 472.8887454 535.4102149 1979.088234 350.2463374 3125.331629 Dehydroandrosterone 105.1357881 221.9282228 114.8109964 195.3705885 86.00798557 288.4148794 102.0086282 4.07813e-08 106.1617685 2030.985503 254.202403 4201.089538 1032.795506 3618.539457 5681.957358 2242.319864 8375.751507 2882.196812 4.07813e-08 301.6409648 141.2841488 286.1898548 179.6329446 558.8350173 4.07813e-08 85.72745137 4.07813e-08 1379.62693 3331.459156 2067.130782 3221.779207 946.7947593 1195.678214 3632.270208 4766.922977 3550.381202 4.07813e-08 63.36529679 163.0199588 81.698469 266.6485103 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 715.989789 85.41853207 207.0549042 4.07813e-08 766.8172179 197.7475114 1023.248043 4.07813e-08 Hydroprene 2812.079707 2930.745587 3199.705109 3417.731055 3226.128348 2737.701672 3254.454142 2330.219948 2966.875966 1864.682459 1699.890981 2147.944092 2127.491271 1937.555631 1728.56816 2191.919975 1951.823473 2680.315044 2611.710984 2525.472098 2443.698957 2669.384661 2125.637419 2171.996095 2647.441356 2686.452443 2297.477233 1979.318761 2382.616033 2410.236323 2472.634708 2680.348092 2105.538299 1962.367595 2763.17766 2386.903114 2393.591679 2011.187968 2541.325826 2025.130257 2149.347477 1956.248826 2208.424517 1919.986522 2966.822742 2835.462111 2527.117282 2604.332861 2517.378234 2238.774145 1603.08642 2767.9319 2757.820723 3494.205429 cis-cetoleic acid 5090.343517 4228.823605 3750.868226 4238.021385 4366.254388 2791.509461 2340.628743 3269.214145 3731.534462 6004.009338 6564.881159 3113.57447 4358.853629 6810.829765 2536.909391 6256.825651 4434.900863 4329.726939 2296.664013 3175.117757 2890.689421 2702.920787 2196.195317 3131.301152 2896.888947 3954.3364 3137.779277 2437.750747 3113.607644 3670.071553 3538.189339 2965.803851 2127.713953 2134.327087 2737.327859 6025.542032 2957.894648 2926.247614 2198.393027 2101.194377 2617.751057 2032.225632 2494.632178 3818.836986 2999.157049 3886.897311 3297.969681 2587.465222 3241.999852 3511.256386 2515.390584 4120.304314 4502.051786 4362.487231 5Z,7E,9E,14Z,17Z-eicosapentaenoic acid 4.07813e-08 135.5499372 1520.44407 3766.170221 4.07813e-08 4827.53533 2187.534827 604.1620803 2891.974993 16058.03581 10873.43086 3169.367513 10293.07448 2439.173708 4192.605611 2628.037059 1785.373162 4989.069164 9288.52245 9709.466596 5339.0764 6141.214986 3717.858404 10128.23879 5031.318777 10299.80544 1015.739083 6240.743181 7602.532084 6422.43948 13340.46052 8333.144131 3166.562712 5014.871092 8455.430065 9259.263803 2539.412638 5117.173852 2392.170131 2200.980783 4835.859098 1825.243522 5918.002589 10906.51419 3193.309972 2978.999967 8289.853512 6656.302457 407.5577475 122.4929893 6129.746162 3372.570132 30259.46638 3992.213026 5-Oxo-ETE 989.47055 201.7501798 991.39966 151.1612341 1050.489213 1312.575789 496.1271745 213.8052781 173.974603 3766.06328 3989.55651 1843.900328 2725.363659 637.5151992 2428.444768 7550.490272 1412.932177 705.9751194 2451.204865 1781.307341 475.4290713 1210.209238 566.3565518 1468.758323 410.236233 2482.193689 1349.495501 240.8555773 509.6549818 1797.2134 370.7128985 119.0882576 959.1867593 400.9921369 2322.025687 1231.750186 514.3795301 403.4731294 969.0397735 4.07813e-08 1146.256546 295.8856235 478.22092 2798.986849 1941.752678 1633.156066 1793.517586 548.3906577 4.07813e-08 278.007416 213.8413925 997.6762563 1471.133667 822.1909908 beta-Kessyl alcohol 9277.342395 9104.369549 9293.618814 8116.058939 8194.977413 7303.680614 6765.292764 7544.895125 9472.08638 5733.650492 5933.521254 5361.847673 5196.9775 5353.7168 4762.443935 8084.112131 5807.935284 6599.968044 5998.294781 6049.160462 5875.48568 5621.087269 5132.89361 4773.516643 6856.1162 6961.018107 7202.967133 4867.922694 5922.379761 7271.707164 6146.428002 5416.905531 5785.102285 5364.859442 5838.862864 6755.309522 6421.831914 5815.266814 6014.030854 5806.683822 5774.468128 5551.90442 6297.11838 8109.241076 7488.071071 6782.65678 6118.142271 5647.106145 6735.785414 7105.040024 5830.922064 6402.834675 7025.203139 8143.835511 Avocadienofuran 8121.297912 7732.657636 7305.153219 8409.555618 7726.110118 8066.020436 7851.33561 7474.28195 6132.511718 4040.9089 3810.459708 5038.264189 4657.373635 5133.524779 4809.502052 2698.257648 3742.748378 5075.993364 5798.438041 6222.614404 5491.653842 5478.741917 6454.377732 5759.637393 5441.663897 6427.722555 7566.77925 4493.958776 5789.549817 7022.272761 6714.017683 5649.738861 5154.888788 4355.523817 5464.605271 5141.081345 6414.342277 5952.003831 6723.042614 5540.89132 4944.707685 5296.468721 5114.241984 6816.963313 5880.309702 7106.473995 7597.290155 6452.713741 5229.191304 5864.491887 4459.456272 6288.727144 6405.029578 7125.76643 2-(2'-Methylthio)ethylmalic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3266.780846 2887.259757 1743.39787 2102.343068 1635.008637 2275.299176 1308.436457 2100.57077 2168.493858 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2009.928137 2218.527906 3072.889545 1906.755004 3402.379301 2397.642864 2122.302559 875.5703209 1882.346743 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4114.997189 4.07813e-08 3259.73708 4.07813e-08 Hydroxytolbutamide 1086.335987 500.6171602 507.1668897 428.7991448 754.6664115 477.8831207 1843.250477 714.1408678 319.7949108 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1410.69505 4864.167981 663.8698114 1174.972228 3520.824817 5038.435123 3189.734634 2392.387192 3163.99008 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55.48342374 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 957.1798317 2508.424078 58.80756696 1340.105331 1617.619919 2790.668202 3804.787366 2116.686435 3105.973854 3514.903825 2624.853927 1531.197857 235.0308235 217.3838614 75.77260541 733.4924133 4.07813e-08 3333.907762 Dipipanone 24121.1453 46767.39827 9976.611759 24456.63104 2548.606149 6611.884961 28511.84565 56553.15345 74181.36244 14912.88441 9980.715086 7279.884319 15712.15364 6101.477249 9242.266441 3897.041339 8699.892633 11031.74448 93.86004913 189.5613871 8495.709136 4.07813e-08 391.278773 86.62053965 894.2091339 498.6194334 661.8420866 11679.33046 10157.95865 7267.836559 8564.2395 10182.52886 7966.741716 11050.93194 6862.143624 7599.477712 2088.178764 5196.679821 8797.710975 1348.586922 178.1820134 135.7796944 4.07813e-08 789.5922818 4.07813e-08 200.4354887 15261.42128 12947.44365 30412.51632 41799.32553 12154.19411 17045.62087 11032.28783 7071.219679 Benzylparaben 1645.524614 357.7396363 820.3788459 863.759648 1254.126977 291.5887385 944.6739638 1186.995093 218.6566415 136.8407776 682.0852055 49.52937949 4.07813e-08 44.06895405 137.9611979 732.8685137 4.07813e-08 4.07813e-08 3442.350382 2789.624065 1946.915168 3101.024055 2651.765098 2652.234175 2061.474191 4268.206632 3280.673119 0.095865908 127.1697428 84.3524471 4.07813e-08 4.07813e-08 4.07813e-08 56.96531295 68.42990172 4.07813e-08 2264.398758 2466.961499 1711.5069 2692.359156 3454.2021 2825.45508 2652.719199 4081.93933 5736.212763 1194.036299 1389.051983 754.0628985 910.2084271 857.0406119 4.07813e-08 1255.822725 4.07813e-08 2239.441107 Hexylresorcinol 925.0322392 535.7297073 1335.368204 379.8456112 684.7406567 764.3288312 418.6783483 643.9301794 202.8190968 4.07813e-08 224.1932742 71.44916402 127.1685793 49.29871161 4.07813e-08 198.9394044 205.8273193 48.85034595 2109.730288 1201.387771 1986.347918 1552.674907 974.8710681 2024.187206 1187.828749 2849.301961 2080.006265 151.5859233 136.8844314 99.02832282 186.3116471 4.07813e-08 96.91201564 50.87332419 177.5105582 229.6086578 1922.029911 1252.727278 2065.828343 1163.432225 1755.374094 977.0538496 1366.559847 3497.372988 2369.488254 1672.259139 970.5520423 1764.424408 1458.002408 1512.32268 4.07813e-08 1165.254462 233.5198846 649.5620259 polypodine B 6832.454532 15150.22145 2273.442461 8252.05499 1177.940098 1272.863024 4656.055967 7849.588472 4895.084293 4.07813e-08 4.07813e-08 4.07813e-08 274.4883965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3249.90137 1114.697748 4.07813e-08 4.07813e-08 288.6724908 4.07813e-08 4.07813e-08 4.07813e-08 297.1307385 212.6509569 4.07813e-08 524.4591645 187.8674057 1860.08967 255.5333946 4.07813e-08 11929.80053 917.0823002 4136.930359 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1176.468842 2970.50798 6963.168918 912.6114677 996.9849953 4.07813e-08 4.07813e-08 Aucuparin 2461.960422 800.5254682 2297.350684 1876.145377 2447.956962 2766.543095 1337.622785 1761.566993 1147.115147 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 61.53137677 4883.37554 4022.698688 3414.664007 4582.842836 4702.642575 3596.204078 5176.321436 6449.642158 4624.941692 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 158.5293399 4.07813e-08 4.07813e-08 2469.176623 3308.54986 2619.652824 3668.051782 4335.912186 4626.74288 3755.072632 5634.916293 7743.677843 2865.930577 2107.99046 2490.558094 2374.983067 1091.805307 4.07813e-08 2217.28659 4.07813e-08 2379.718605 Tryptophyl-Threonine 2688.37047 4215.23729 1120.108517 3403.884148 3102.060186 1456.56755 3403.404522 6652.973219 5915.542023 6561.733962 9014.646976 10581.40078 6903.555441 8867.950333 6473.245705 9049.911264 7958.480178 4319.100503 1715.388872 855.1137126 2419.386684 1629.353671 1931.504477 1429.660396 1645.620807 1133.603061 2284.314472 7984.957677 7532.223008 13613.70715 6389.603642 12273.19192 12429.63624 8031.904002 8774.996365 10899.96036 1895.261068 1548.639925 2276.69329 2224.488264 2281.240942 1167.172159 2123.888037 2275.130357 1842.831654 864.1934052 409.1576719 2571.346182 3209.767759 3318.099041 10302.84128 2130.928522 9695.081075 3038.263361 Zalcitabine monophosphate 4.07813e-08 285.0430272 462.0573786 146.3814148 386.4142538 96.94008565 4.07813e-08 4.07813e-08 4.07813e-08 8991.978057 5034.349145 8723.557476 8392.409748 4723.478137 6925.624165 7163.00882 6332.757367 38858.16548 185.6963569 4.07813e-08 4.07813e-08 102.0868513 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3397.213366 4964.781313 9705.481953 5207.811186 8754.808601 21434.94225 16765.43046 5200.448127 13299.11194 102.0666183 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.7300791 4.07813e-08 4.07813e-08 4.07813e-08 89.41873464 122.9856889 4.07813e-08 26364.69365 4.07813e-08 12220.16965 107.9294857 3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]prop-2-enimidic acid 4.07813e-08 531.3149186 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 280.8387661 4.07813e-08 4.07813e-08 15718.92299 15099.87133 11439.23951 15730.07906 9815.377203 10113.91168 9106.451367 9362.963739 16337.45752 4.07813e-08 7.399927695 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65.63907144 10634.83841 10967.8277 18651.22386 7643.836089 19466.71727 11077.43646 12140.8973 4097.610094 16679.08364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.17625229 203.675642 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 396.5256305 1532.329964 17555.19307 392.504297 17022.96249 4.07813e-08 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]prop-2-enimidic acid 2303.308855 4444.556133 2023.606203 1828.818896 3815.924224 1362.851719 1553.832134 4475.031952 1032.424883 30225.23804 25134.63669 17598.87392 27576.36395 14653.21839 22062.1347 17113.44798 24515.60308 22498.59533 1012.543369 3278.72093 10766.34293 7304.052583 6997.222245 614.2023688 4338.38301 2682.062984 6741.474388 23104.28504 27441.86202 19696.58592 17957.54924 22128.54801 20537.93766 21416.20384 13299.90467 23563.03063 2774.25361 3067.445876 1758.935971 8910.296982 3613.74059 5626.83967 1701.659652 1814.927083 4744.765791 1018.9946 254.394435 981.9804434 1946.772692 6506.41771 21546.26993 2621.530617 23801.07185 1108.638722 4,4-Bis[4-(acetyloxy)phenyl]3-hexanone 10292.07957 7235.333291 7882.468033 4037.910286 2039.73366 5535.323409 5980.491712 1503.639607 783.2473611 2976.186674 2531.163975 1653.979383 4099.197607 1067.545611 1326.435073 550.039641 846.6541222 411.4171487 4957.391003 4616.88384 3294.883103 2829.856275 3490.87399 3885.637235 3947.743531 1296.932061 2060.432927 148.0647746 665.8908117 1088.279515 479.3193763 658.4549998 1553.56878 674.642147 840.3773262 544.3458622 1885.178654 2522.746732 2309.715773 2844.902585 2980.325973 2876.348811 3732.295316 2343.295924 5031.809419 2890.217764 1898.909754 2695.903487 1400.161408 1302.179565 725.4832904 2589.045418 23.66407256 2436.389456 Sapropterin 2848.405542 1906.402209 1368.15973 1483.224641 1199.778647 997.6583578 2399.151965 2769.0173 2441.223439 665.3071316 329.07399 4.07813e-08 494.8015053 89.10190222 294.2417158 76.4969569 70.72614979 538.7731262 321.7402686 517.0149738 150.245465 177.2224963 174.0092273 189.6794818 216.5910994 193.3219439 409.9853856 173.2892667 208.6319536 4.07813e-08 4.07813e-08 345.3749514 218.8619859 256.3048608 4.07813e-08 77.18953609 108.0674215 545.5073789 464.2323748 883.5965601 370.6445802 194.9167918 622.1181385 249.4696515 4.377918025 212.8865767 12.29345071 382.8535269 611.129883 1247.315009 304.2741882 730.2602626 241.2139483 541.7787233 8-(1-Hydroxyethyl)etodolac 10416.36886 6755.884424 10105.44062 8568.24421 13158.81312 9164.686111 10124.36278 7720.341637 6221.710559 1876.444486 1634.435058 2248.119442 1031.765383 2953.505323 3426.572416 1966.452441 434.1488825 1468.9301 18063.28955 19228.38261 12983.10416 16752.97484 23143.00049 21722.05414 19120.24287 21928.35758 22236.79743 2359.380178 2042.237244 2817.83149 2260.431145 2579.667592 3784.465945 1998.571999 2167.582134 2805.660371 11217.8064 15488.11492 8660.137181 16629.11697 18575.88718 19864.36851 18972.07379 19895.58622 25995.62317 18795.41942 14343.4837 11569.47215 8525.190271 6567.149126 2756.504383 11386.65101 2571.175915 15033.61847 (1RS,2RS)-Guaiacylglycerol 1-glucoside 606.2635132 3252.270959 219.1465844 330.8666368 973.6363431 604.8197314 998.6989524 2261.367198 280.2063519 8436.164547 6015.032392 4342.33998 9892.318104 3553.004013 4982.656207 2844.947238 4902.824651 6925.7279 4.07813e-08 104.2654887 539.3399506 149.1179694 4.07813e-08 4.07813e-08 41.21605762 981.5299083 336.6074872 6080.534612 5907.277843 5120.415283 4932.503777 6866.405619 4419.193807 6254.107172 4024.88795 4039.821678 1502.890779 4.07813e-08 601.9340807 268.5879481 4.07813e-08 168.4929753 4.07813e-08 808.683241 909.3195818 4.40649179 4.07813e-08 446.8096051 1888.573414 2006.983436 6173.748729 819.5853405 6960.488517 185.6527034 JWH 307 20257.76647 39211.71753 12710.50085 19455.93073 9024.440664 14710.51423 25797.43652 39413.23191 67124.92954 35727.25461 29248.5743 24405.99727 34750.7349 19355.65148 29458.34729 27295.87698 29112.31947 38261.08746 3653.068077 3093.733641 8650.507841 4016.062145 3989.449923 5590.55535 3450.988693 6423.652234 6574.946474 27612.51568 27440.7272 26631.93022 26036.78628 30392.17267 22799.37484 30271.50889 29371.44484 23300.08677 6582.979175 4982.037204 6843.998568 7726.836271 4889.997286 5069.28331 2547.081386 5328.003255 5583.695117 3889.208891 12709.48254 11867.02489 22058.02528 32266.52437 22948.34859 16163.80962 22737.98421 6690.147841 Murrayanine 1020.636125 809.833173 1170.816664 1418.623534 1428.793374 1180.374839 845.8299831 601.3149657 1081.781831 343.9052678 505.6766059 269.7064498 127.5233266 325.2552414 733.7017761 1645.311288 1693.024 90.31888453 1536.696337 1387.352156 984.2692569 1567.283075 1492.073024 1352.154492 1662.498717 1140.095847 1314.190581 1133.713857 4.07813e-08 1897.841218 195.7199297 1924.238733 1371.480094 375.7070359 1048.522222 4.07813e-08 907.1869032 1090.247924 1230.228535 1062.272963 1265.202375 912.2866965 1396.121507 959.5716425 1770.176487 1022.884288 580.5279779 1008.949634 787.4750305 658.0580988 455.2396762 1091.475571 777.6446863 1135.227561 Cyflumetofen 376.4264318 3745.242662 202.2958617 4.07813e-08 720.7013163 900.6307382 2546.701305 1211.89198 1496.125975 28974.53713 18950.02631 18076.10563 30491.46908 14221.3927 23824.1205 11548.42083 18125.12172 22219.87657 536.6762205 474.5176936 4.07813e-08 676.2392387 429.3536141 157.0049337 841.4913582 116.8263261 1368.596468 35792.71558 28912.01963 22518.33603 29111.73006 31178.8248 28760.65245 38832.59175 20079.06949 18147.07867 2032.626747 337.7190216 952.8814183 730.383055 311.9718843 85.58965009 369.6035264 505.584345 849.8972068 54.66968842 255.8652937 4.07813e-08 920.9404587 1989.194489 38272.44239 209.3347999 29581.89537 677.9081684 Trisphaeridine 4.07813e-08 4.07813e-08 205.6447585 231.9405322 189.6207556 4.07813e-08 181.5913976 4.07813e-08 4.07813e-08 71.40016823 2542.549747 188.7373931 4.07813e-08 280.992937 995.5472469 3756.226301 7525.554162 4.07813e-08 4.07813e-08 4.07813e-08 167.654227 163.7258924 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2725.494109 4.07813e-08 4858.849143 137.1003226 4443.858254 2317.440741 196.7587892 2347.088526 351.6206218 106.1399579 4.07813e-08 4.07813e-08 4.07813e-08 140.86752 4.07813e-08 171.3888379 201.5653633 141.8737778 4.07813e-08 4.07813e-08 4.07813e-08 163.1420283 4.07813e-08 602.3859921 4.07813e-08 2346.33229 165.1500324 15-Deacetylneosolaniol 8434.131588 8883.157188 6899.804307 5229.886085 4174.889152 5017.874046 6163.314276 8006.517574 4192.720177 6650.13057 3262.500568 3124.481061 5138.745523 2605.069399 3718.563026 1373.897815 3629.428726 4052.661985 8318.721308 6627.481376 8494.062908 8073.725421 4373.831567 4342.184466 7076.946079 12026.01995 6128.720145 3494.167348 3745.276871 2730.273149 3770.487443 5028.215561 3232.399887 4438.042243 2083.945551 3700.61346 8717.023937 6176.029673 7929.103299 3110.107033 8044.837982 8125.076978 3098.026167 8713.806786 6636.504865 2395.533311 4217.644997 6644.923373 5684.359571 6405.021291 6124.308984 6908.581299 3215.633954 5160.573213 Prostaglandin H2 2-glyceryl Ester 4174.251251 6759.067796 4422.725617 5383.446714 3027.61895 3827.321708 6081.871681 12090.79619 12640.75787 4406.461539 5366.121136 5201.190243 6015.442715 10327.86799 9487.42202 7850.134702 10866.4554 12387.37781 1096.304263 650.8259235 3903.122028 614.1994578 1140.114032 464.5500399 1441.371345 1887.211548 1593.493933 8069.764532 8037.296644 14026.64515 6422.789404 12029.60731 5847.190496 6706.792773 7487.164715 12431.65433 1324.613526 2960.386906 2012.393331 1582.755347 1101.723398 812.7026656 230.2198148 807.02185 1720.240564 3.669255377 3377.957131 1736.94134 4356.447528 4257.050322 14023.84453 1540.06011 8653.390096 1140.482285 Cyperaquinone 563.0489278 517.0989091 906.4592756 945.2075413 1347.030952 957.2893834 692.0649877 401.5905339 413.2920163 4.07813e-08 117.8098652 137.0989907 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 768.7612015 1356.364718 1006.598852 1307.876058 1691.370849 1167.900341 1020.555115 1068.884113 1510.251372 4.07813e-08 86.18395853 111.5782911 84.63147288 486.9353557 551.7507742 4.07813e-08 4.07813e-08 4.07813e-08 871.5546924 618.0005242 857.6801998 1315.610049 524.217587 1048.640912 1380.514545 1555.888219 1187.868899 1225.226049 817.7991975 1088.700999 695.5724263 807.3053613 306.4582144 854.4389161 4.07813e-08 1206.684294 Dehydrodolineone 11304.74778 5133.85753 7650.138811 6851.845186 9845.792361 4926.066998 4294.332052 5030.656118 5110.827629 4.07813e-08 135.288765 4.07813e-08 94.5040034 95.95954597 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9712.634668 9070.809362 7327.176994 10711.0323 9473.259302 1876.999849 9844.628652 13054.95776 6108.799155 4.07813e-08 4.07813e-08 4.07813e-08 124.9019522 4.07813e-08 4.07813e-08 4.07813e-08 113.378429 4.07813e-08 6995.158831 7584.612263 7503.638188 4790.927279 8967.950311 8670.897487 1894.156203 10227.56681 14942.32498 1853.309301 3184.054981 5473.659822 6431.887931 3433.689671 4.07813e-08 5564.961026 4.07813e-08 4886.654375 Prosolanapyrone II 19453.18018 11567.06122 20150.8054 20823.66785 30897.5342 20025.78327 20655.99428 16799.8338 14069.60602 150.0558964 172.2372552 0.123931934 224.1144884 88.03352535 300.1010903 0.531861497 0.028308541 309.9725457 18771.14947 29519.64823 7289.292291 17185.8648 38522.86508 36679.48412 29667.31684 27024.13194 35644.67805 77.6539358 161.0792992 226.8798683 554.6831008 258.5384665 64.29116207 157.5714252 167.1314147 282.8669436 13220.22658 18530.89862 6878.916316 17324.09319 23053.8763 31359.89005 27689.6157 28486.85132 32988.24075 26701.46955 20743.77509 13695.44521 8636.476773 5282.775194 282.7095263 11826.18819 307.6922317 24108.91581 Hydroxyprolyl-Tryptophan 8298.828942 3920.149555 5912.11293 6021.963154 4147.229565 5639.412512 11988.29204 9557.249272 5251.332356 1723.475802 687.8688108 370.9273587 1667.423474 164.690959 374.0558513 49.04648892 122.2073128 3270.883431 8612.447021 5068.536368 6147.98652 6375.801417 5110.17805 6463.092484 9459.563273 8580.272834 5603.824248 224.7503801 1643.033974 222.4835944 134.2132012 795.1730547 166.5509534 687.2054823 79.89092029 449.0832847 9880.836647 5197.346239 8887.383935 5305.030981 5844.324915 8041.202231 5786.174475 9884.583241 8116.763217 6574.613518 5466.495928 10037.18201 9005.401312 5973.629138 1156.874722 7670.57303 4.07813e-08 12311.53488 Cyclo(L-Phe-L-Pro) 18887.50555 7762.916365 14226.51405 9712.023031 10454.01989 12224.72457 12839.48193 21350.06015 18718.50593 4.07813e-08 15.23655047 11.14453716 28.50213209 4.07813e-08 157.295857 4.07813e-08 7.922351093 9.366810289 17382.84086 17996.15571 4951.559309 8756.97958 17067.63825 16811.86918 13448.3718 15995.25142 16654.8504 4.07813e-08 76.54143627 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55.41977595 4.07813e-08 9185.485753 15463.51385 6993.24777 12155.63892 16312.77112 15604.02814 19456.91984 17182.34619 19403.83339 16064.98167 9205.365719 10829.056 8897.187477 2620.625391 4.07813e-08 11014.95679 4.07813e-08 15858.01506 Asebotoxin II 9668.23559 18878.90849 6971.327477 11975.78572 7903.167565 10482.02625 16265.62263 29339.14973 40974.71826 5103.833236 5229.158363 8167.12287 6464.410767 7846.575966 10235.30486 5334.495991 8023.029733 13107.25454 3936.907108 28900.74171 8283.817503 10803.75615 10524.32824 12074.78839 4840.689168 2964.849578 8698.341758 7017.157516 10412.42971 7758.519193 9848.152933 12484.91908 7036.462814 6413.659142 11680.58799 8720.859625 2158.179653 17296.81455 7248.309275 17954.87604 11813.56066 6317.734577 9912.087697 1925.494623 4949.2901 4590.61499 14392.7173 10563.7644 13808.93769 26903.00628 7750.963859 10843.2523 4185.383422 7954.793622 tetranor-PGEM-d6 8128.076736 3948.759845 6338.801457 2908.953196 5235.129959 7143.402108 4963.394551 5986.565055 4811.860769 441.6971207 166.5000376 4.07813e-08 283.5928059 458.941004 345.2937866 4.07813e-08 4.07813e-08 605.8917445 16347.11274 14353.3658 12302.59444 10276.14058 13217.80856 15056.15913 12312.05705 11096.91942 12104.41057 18.34583166 247.727008 908.3441875 282.6955386 745.3876569 164.5129521 4.07813e-08 22.94306314 124.6987323 7951.893998 10533.041 9237.948664 12092.55062 11118.0242 12691.15847 13593.5857 11360.01373 14512.24837 11042.98365 7933.343575 8798.390447 5513.867992 5548.73556 423.9338253 7860.801086 125.7864042 10789.4559 Hoffmanniolide 4.07813e-08 4855.913632 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 129.9331142 1276.706914 17307.06382 33708.2693 17313.06079 60241.8682 55130.93233 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33989.28016 4.07813e-08 4.07813e-08 4.07813e-08 286.6451332 17508.11459 74.67291176 4.07813e-08 1021.737021 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22430.05092 664.325396 7419.848498 26375.67487 6793.420241 3227.846452 278713.5238 20960.87021 N,N-Didemethyldiphenhydramine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115.0885885 74.81636415 131.4006332 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1423.631289 725.6683484 1021.884343 995.6675476 904.0239629 1045.677778 1007.284608 1165.248255 898.0864377 81.70801047 169.8285069 4.07813e-08 72.05079064 456.1114457 4.07813e-08 94.90680288 4.07813e-08 4.07813e-08 906.0108508 1056.837792 902.0751263 874.8005365 1266.949041 672.5949059 1221.883051 887.2448658 1265.820441 755.4201459 657.9696173 859.8925128 773.2774278 533.8273927 174.3467744 561.4682426 4.07813e-08 936.0452215 9,12-Hexadecadienoylcarnitine 6440.056819 5738.06676 7133.89752 5925.592636 4296.927722 4809.862094 7505.720995 4810.593168 3286.202996 4583.01273 3437.211613 4380.259716 5162.703974 9321.096941 5485.818794 8999.321056 5402.005324 6931.296973 2956.236956 2259.946787 2072.734827 3817.973001 1485.34985 3490.733179 2607.313975 4292.491822 3670.928059 2762.148442 5047.381258 5600.469487 4913.872708 4240.15659 2673.893464 2278.397253 5457.406682 5185.712689 3271.500999 3827.957891 3565.105012 1933.296905 2842.81581 3518.276571 1868.20501 2895.486958 2304.250607 3566.051298 3192.014254 4266.817662 1995.137957 3419.366117 2406.656277 3856.918 4721.223808 5757.992226 LPIM2(17:0/0:0) 4.07813e-08 1303.436029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50198.87803 73547.29503 41785.45482 61679.73428 25381.05804 49355.13864 123010.4153 23067.58386 34529.27137 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32405.9385 84940.44885 31119.38222 81020.26761 19741.54424 48049.16141 83005.22105 29514.62069 76716.55825 1428.028136 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35780.48679 4.07813e-08 15387.49084 4.07813e-08 Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) 167.0090056 177.5356446 786.65958 514.9161709 1373.962232 2687.918423 390.6561619 248.721703 239.2256994 4.07813e-08 525.1846774 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 690.5651618 1798.173844 4.07813e-08 5863.000211 5598.872844 1906.531968 1418.519016 1023.33671 5813.586248 3160.460282 5131.670037 4402.602843 383.6693014 131.2563423 1992.350045 4.07813e-08 1154.913257 231.704526 4.07813e-08 535.6193214 4.07813e-08 119.1847631 3735.295424 1178.614466 1781.36535 1248.303401 1263.277709 3281.97316 8827.017712 86.93507635 3527.104016 3229.174406 1413.442389 187.7705351 599.8354358 466.7936725 1398.72428 4.07813e-08 1061.402919 (S)-Curzeone 2656.859394 3725.641979 2902.851864 2568.812921 2310.795631 2278.61215 2729.353871 3270.942055 2039.869155 1809.620768 1324.128074 1640.039603 1832.428354 1301.176701 1709.547694 2387.437993 1920.977057 2217.197447 2270.148852 1891.803589 1646.114174 1657.633299 1768.40495 1515.916131 1188.59266 1683.077145 1801.74001 1190.312664 1019.472144 1354.007327 1254.590676 1426.718272 1357.121442 991.7348542 1874.671451 1404.159986 1312.767456 2050.963954 1982.377974 1761.954215 2051.313141 1650.128241 1281.62108 2385.283299 2576.681751 2536.976967 1831.075883 2019.939323 1732.84801 2071.16356 784.6839148 2462.362227 1737.561374 3929.547218 Icaceine 3938.03829 3280.40152 4918.179069 4791.843976 4936.162822 3392.250775 2576.135316 5178.879108 4802.532928 1053.274539 705.791049 980.3509072 764.432623 1081.675254 509.019882 4.07813e-08 156.6982855 1515.851493 4660.517506 4724.052774 3781.770315 5729.125815 4360.245509 3889.565214 3906.345968 4466.126477 4077.87457 861.9288556 881.7729798 1053.696453 581.1159697 1220.90231 738.5653487 1523.116415 651.1551399 683.8678037 4512.18676 3959.368492 3717.431508 4459.164327 5066.713253 4295.401296 3828.719788 5252.793481 6583.66959 2621.150058 2562.988393 4143.114799 3436.855079 3753.261666 1256.881097 3463.239781 585.5028469 2131.688293 trans-Zeatin 29402.08816 23558.10983 28487.81494 26641.1283 31791.75214 31235.68163 34840.17615 24138.36955 22513.39147 7608.930728 7651.889543 6284.599476 7176.546356 7551.759111 6909.205509 6686.993764 6821.169586 8414.373385 37767.68469 39800.44717 32585.61565 34253.9441 43231.25527 44020.02434 39575.08588 29673.17537 33942.90863 5725.826646 5342.627839 9787.457963 5866.410876 8136.397148 7040.535716 6933.639801 6835.920448 9100.362172 29121.74618 35227.96861 30861.87838 32252.59512 39364.25329 43327.80374 38504.94741 29405.93077 39271.65231 41254.01072 28926.23659 34471.21098 23256.68124 22057.57387 9248.159654 32330.9396 9313.914763 34045.75817 Hordatine A 10425.8272 22979.60266 12402.25439 31712.87434 1231.522201 15995.69748 12443.37773 6247.51185 5899.029659 34680.98583 37785.21945 25347.6621 33968.35096 23723.93886 6599.215993 6040.519642 8217.035069 1150.787766 614.7651291 5830.911776 1971.18064 3196.575976 1522.341764 5885.657186 37.7465082 1075.881275 252.4569603 16822.67105 21029.17705 7878.494961 3416.661863 11868.08029 13758.75578 6756.72082 8087.999294 708.2846913 5305.377121 14677.50698 4298.445297 2810.701119 4275.560484 275.9887632 3869.426561 1203.542786 949.8997966 8671.536329 9892.219842 2347.940458 1839.840969 1689.966965 1688.205277 251.6867044 7539.395991 2657.891849 N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide 2639.25156 1550.988993 2124.703885 4067.36323 1161.708191 2103.408772 2048.483378 438.2190291 1100.120406 1354.549165 543.4251432 331.4664318 851.1413244 700.4904327 694.9612652 1980.259104 1078.11553 338.7683383 2824.122361 3382.678085 1532.711192 1939.130492 2924.900089 1971.993705 3396.554714 2324.687008 2550.619633 239.5366556 429.8006497 1532.861038 1034.371714 381.5778673 1129.388473 291.6874108 1845.498579 682.6730375 2256.101864 2004.08623 1297.379658 2942.53328 1555.441988 3133.68599 2400.681388 2380.825684 4096.330657 2566.294539 1954.480877 2132.597093 1578.05377 1984.772376 688.4928952 1687.753939 133.6117086 1969.809296 DG(8:0/0:0/19:0) 13730.52769 16197.24973 26551.23057 959.2041144 1405.690503 24170.88936 2091.670896 67546.1355 85086.33933 487.6629641 4.07813e-08 11147.28565 709.9264437 9256.152199 18115.3621 4961.705879 16190.36333 33361.64806 14256.18503 9709.601816 19715.83607 6551.852542 2769.742368 4.07813e-08 815.430597 4.07813e-08 4.07813e-08 9217.886671 18062.44267 1873.269545 32176.21937 1429.9505 585.3315044 20136.73131 11556.41279 6733.403394 13396.25181 4634.992861 25770.78373 24851.41674 2463.565458 6700.675888 4.07813e-08 4.07813e-08 4.07813e-08 144727.2506 50445.2093 56281.23923 32988.27184 20166.05127 3423.339256 44799.15159 3036.934946 8618.479264 4-hydroxyestradiol 3483.075157 3005.095839 3808.289741 2735.48819 2800.293682 2627.963335 2968.869091 3473.410579 3302.327947 4.07813e-08 4.07813e-08 4.07813e-08 157.5622609 71.21853752 4.07813e-08 107.0070395 4.07813e-08 4.07813e-08 5129.842404 5633.980319 2483.394024 4209.461829 4863.706755 4769.826933 5028.749492 6143.934803 6544.086517 78.75860324 4.07813e-08 193.2212246 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 112.394381 5094.409229 4092.910446 2880.318613 2887.511461 4829.385508 4831.419437 4574.600196 6053.724476 7613.272195 3486.547353 2918.696878 2800.754981 3148.103601 2361.966333 471.5305295 3606.734712 87.18357312 3481.148806 PA(8:0/a-13:0) 3774.383479 5345.610338 6101.892422 5788.776356 5280.440816 3912.092538 5139.507504 4858.254892 2878.853915 5237.073105 3719.865408 4432.518541 6961.132904 4404.919785 4941.219356 6978.903849 5844.245008 5728.46442 6263.674101 3332.228557 2248.625629 3187.249682 3448.566295 2716.634456 3388.880732 4652.050257 4904.444211 2256.467779 4005.845998 4487.306064 3868.300281 6699.675421 2872.054953 2519.547173 6117.515016 3490.719768 2764.495015 4385.67341 5061.874315 2468.56412 3828.640408 4163.451799 3490.265097 3448.500232 3630.351092 3857.158964 3411.347801 5133.706063 2883.842714 2984.058497 3449.729645 4342.313644 4938.608365 5635.27867 Chrysanthetriol 2628.940547 1798.58882 1935.324646 2384.859026 2421.022937 2195.872995 2222.567697 2147.004229 1959.57261 869.2616897 432.8763868 494.0500536 770.140322 468.9723284 514.2690506 1088.521163 668.4417689 856.0283376 2234.139817 1310.145447 1836.178378 1866.076098 2103.833696 1263.680653 1988.75685 1908.712596 1941.692332 361.5351485 221.7879944 501.7317059 359.3137796 86.11132135 946.5226433 599.3813302 852.78555 963.4486193 2136.877489 1951.459731 2044.296375 1172.729434 1738.719404 2278.129298 1743.093478 1865.571971 1994.467819 1516.83734 1419.230217 1253.506627 1562.553508 961.6524643 478.2094514 2227.129303 1914.317211 2379.119023 6-O-(1-O-stearoyl-sn-glycero-3-phosphono)-1D-myo-inositol 0.455774359 4.07813e-08 15.09225384 4.07813e-08 4.07813e-08 8.983780661 323.1142513 648.3764232 8.786241069 14195.19489 7460.686241 13319.92045 12864.53489 7423.929597 12939.42725 21783.33118 4336.740229 5155.852629 253.2781619 274.6676944 1334.922639 237.8981043 333.7749011 1944.124853 415.5606716 2432.120607 763.0734258 7415.327398 7405.93072 2310.784339 12122.06326 4797.052134 6852.181175 13357.71805 10137.52484 10522.45115 383.1155293 1471.461374 4.07813e-08 816.2106588 896.1945888 1215.905567 3160.53477 2246.692137 599.7789873 404.7927935 4.07813e-08 390.9461963 22.28795772 302.9337112 6895.611298 4.07813e-08 1856.535898 1389.781213 DESMETHYLDIHYDROCAPSAICIN 2338.098124 2455.745777 2107.422109 1757.168894 2313.357528 1288.86324 880.7472472 1997.850058 1240.314111 5857.604736 5593.21305 1715.987702 6001.224642 2800.640826 3699.046307 1291.004544 3894.377399 2476.668007 3710.340245 1061.673915 6060.565467 3172.838429 1459.77383 32.61425374 613.4679925 5954.195647 652.36917 4402.267992 4449.723798 4180.344237 2809.874525 5260.003516 3459.794137 5539.129019 9073.76829 3494.133769 2349.2219020000002 2042.933335 4173.251691 3780.870806 3339.716313 701.2126308 496.9956679 4769.383042 5848.299743 4627.325815 176.0247737 1990.768015 2568.70309 4267.956621 6475.474075 1656.94667 8256.902333 1.470763457 delta15-10-NeuroF 14132.02737 9018.929429 9759.373482 15151.37038 15845.83378 15626.47994 13554.54965 9572.596224 12374.15295 331.2607403 1159.962335 1253.863593 1849.797311 131.4461535 1602.586766 419.3232227 1496.651208 1189.330483 26416.68368 23221.45263 20504.49706 24122.36993 29094.05718 24792.87703 19884.72976 26200.39396 25526.69661 230.8905443 790.4069572 1585.002913 374.6632208 5187.277099 773.0999621 754.0887858 42.26684241 1667.897462 15338.80692 21159.40231 18403.97867 23566.89289 26178.60712 27250.43409 24126.71673 22756.84539 32693.43231 19322.67052 17357.23115 17290.53477 14321.3565 12075.43697 3493.402312 16433.76232 9034.315964 16611.96023 11,12-DiHETrE-EA 3512.024927 4256.616331 2387.628971 4058.546901 2730.036353 234.4398888 3303.768836 5028.705414 5027.026145 1807.469618 1371.558406 1947.095894 2052.367562 817.583972 1912.184932 4.07813e-08 1106.924971 3972.385524 1414.127198 853.0456895 1562.497216 5671.343288 1276.299899 4.07813e-08 5459.609131 4.07813e-08 4.07813e-08 2406.650806 2799.011003 1703.012199 1265.059935 3622.824503 2591.145787 2500.919577 2440.07434 714.2761181 4215.253701 1538.601492 2277.116026 3597.878884 4399.239494 2670.445378 157.3954654 504.7719952 2818.140244 4.07813e-08 799.0008659 1886.014087 2120.275219 6012.660914 4624.000029 2126.588189 1343.1096 1222.937853 11-dehydro-2,3-dinor Thromboxane B2 1918.509059 1890.708807 1916.082941 2452.323735 3218.990196 2881.173734 4182.270418 1343.643961 1992.560609 391.6816563 586.9611337 238.0506309 70.89840816 416.5368316 223.9184913 4.07813e-08 4.07813e-08 359.7606271 6890.668839 5677.495512 6085.353712 5782.485129 9964.326838 5938.99107 7336.537592 4034.894533 5489.716125 209.9710784 251.360756 538.562605 311.019608 1348.96826 347.8592051 405.203146 265.1533138 4.07813e-08 4310.332317 6021.881769 5007.869507 4116.989237 7483.092143 9262.206035 4803.116555 4494.16439 5965.523423 5539.111608 4590.71526 5369.635571 3525.058785 3055.855237 1501.814451 5078.832064 368.6942683 3249.574463 3,4,5-trihydroxy-6-{[(6Z)-7-hydroxy-6-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 136.0937137 129.0024934 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2271.83985 4.07813e-08 4.07813e-08 140.0265772 281.2181545 7208.883976 3855.444963 4.07813e-08 513.1139879 758.6304712 449.0174628 4.07813e-08 500.1441294 203.6888837 153.9126201 4.07813e-08 1115.01916 3340.914441 4.07813e-08 2037.515373 4.07813e-08 3150.348617 2728.23573 4.07813e-08 2529.277227 90.64429735 130.9247077 152.6856015 124.5595527 332.8687931 625.4132181 551.6701244 4.07813e-08 341.7624466 797.4113207 134.97967 4.07813e-08 4.07813e-08 4.07813e-08 122.5696509 343.9789207 484.5906097 5399.825251 4.07813e-08 2-hexyl-3-phenyloxirane-2-carboxylic acid 2312.132781 1144.697999 1224.471676 1347.126206 1257.693618 1964.634966 2000.422117 1296.285715 1813.259856 225.9422831 489.4750925 214.6932648 433.943943 108.5770938 439.4585892 183.572689 904.8159169 1295.149255 1539.753656 1712.479534 1925.51438 2110.559787 1560.936859 1713.100439 1710.645474 1258.341725 1615.207601 535.6332168 297.5346683 721.6450302 172.6521361 541.7262455 501.8483498 634.3961026 696.3783098 521.7585654 2139.5651 1948.687024 1658.16965 1503.853613 1279.690365 1478.805874 1549.541098 1525.677098 1468.421319 1801.667678 1468.519019 1913.899286 1623.351415 1628.090414 1251.728065 2242.015159 730.5056202 1408.974881 azido-FTY720 4501.159181 819.209234 3155.490358 5466.939711 7843.971015 7143.473785 5657.434267 949.2046247 1723.484608 84.59212299 168.1069862 4.07813e-08 584.369889 4.07813e-08 565.5838306 4.07813e-08 75.68316057 235.8893468 9850.366354 10333.87499 7077.011685 8073.964433 12603.53267 11966.65121 9026.699333 6910.452378 8884.061474 69.16316961 266.5622766 367.2797909 4.07813e-08 316.5419136 4.07813e-08 4.07813e-08 79.79770659 4.07813e-08 2889.854198 9297.304028 6516.379162 7419.150212 10097.05236 10192.53742 13195.54603 7651.949968 10529.28023 6315.571328 3954.987438 5723.044366 2301.583062 2769.058731 217.4455371 4882.14643 1216.531292 5521.586149 pregnenolone sulfate 14296.94087 13331.22623 11154.45928 15241.08027 13736.73579 11650.61661 15273.15987 11594.02396 6978.427879 11086.57035 10988.94404 6619.584878 10373.97276 10681.54675 13934.77475 4252.371999 10714.6599 6155.825763 14419.85085 16759.11897 12941.12564 19360.79552 17375.06926 13140.61708 16531.93712 19312.18026 20288.71133 9240.941356 6880.551205 10993.94792 10235.77211 11328.37725 10374.14663 9954.553904 6774.155976 7671.713139 14464.24044 18027.43749 12668.76894 17216.94044 21401.97858 15060.16516 13369.60533 18097.99777 28814.61936 11122.62384 8951.116736 9964.08711 10497.10856 11415.42221 13220.78182 14568.61768 8983.144337 12681.84605 ENOXOLONE 5839.06335 3319.434582 3330.977839 14536.70833 14007.04499 8848.631269 9550.036456 8720.94194 16880.21178 835.8189695 968.9942975 3690.166733 424.2524305 822.6830774 801.3438564 4.07813e-08 4096.006768 5086.071662 26690.12816 20623.66323 16486.8058 23201.36698 23040.85518 34494.78918 19971.2063 27627.50983 32125.0982 1001.925397 1131.616757 3850.519659 2839.614158 1426.248147 1827.408291 724.6306362 1285.776559 1455.85698 12642.18061 12880.72621 11430.34468 22653.75114 23967.87926 17621.9328 29324.58923 27715.42833 25429.3923 29752.09944 24407.50889 20117.28019 14896.10805 10940.6908 5458.110835 20996.31153 5399.683731 23834.69998 4b-Hydroxystanozolol 1104.160278 1263.704839 742.8481881 605.6245937 460.7128733 652.5489026 1138.026711 4467.340158 5016.488743 1909.40104 1508.51629 705.1488047 1197.998124 489.7349615 579.6175669 4.07813e-08 2418.819028 4173.225444 905.2959596 1059.280414 150.76855 202.6027875 284.8330324 1342.845067 564.6604687 535.9506282 142.0784116 167.7976654 1161.122021 75.25255732 192.6237032 715.6138822 540.9143397 81.22887431 269.743135 303.7648479 132.9016186 1002.035247 378.4587329 4.07813e-08 4.07813e-08 231.5669249 973.4048287 819.9501796 364.1762087 354.0652757 1195.014014 509.5155863 4.07813e-08 4.07813e-08 759.360499 142.938796 352.0779654 471.3216054 MG(0:0/19:0/0:0) 9573.208986 3360.600345 2954.148121 4848.768333 1097.526202 689.2763666 629.4139687 173.2951702 1818.809076 4.07813e-08 4.07813e-08 83.43097538 296.6630974 156.0618952 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4675.581321 2854.891038 2020.356258 2852.299599 2709.356442 4.07813e-08 1518.671428 2286.806522 886.0664702 4.07813e-08 4.07813e-08 297.8229428 4.07813e-08 4.07813e-08 467.1863253 4.07813e-08 4.07813e-08 4.07813e-08 4334.755419 4707.969305 1766.008067 114.6985035 696.524701 2969.906821 135.9788751 1284.312136 3610.664154 1768.195445 2565.774448 4431.535207 2937.954961 3162.39992 4.07813e-08 1094.217105 4.07813e-08 668.7014848 (3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one 223.3602546 197.7451557 442.9838504 4.07813e-08 1132.835606 809.9900541 628.988965 1391.968412 3986.032085 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 105.3579528 82.98450866 4.07813e-08 210.47399 4.07813e-08 7955.509033 9726.815607 974.3702143 8302.186954 2067.823675 2805.196553 1743.752894 4053.780772 5158.961757 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 140.9257757 1363.803019 3863.118969 773.9749005 410.11172 7294.364961 246.1894817 1842.335727 4167.863744 7369.36535 3906.594705 4690.776246 2328.803011 186.410222 4.07813e-08 4.07813e-08 2753.051683 4.07813e-08 5119.902713 6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside 1547.072769 4139.671073 3859.944017 1770.656708 2421.859449 3845.116225 1485.009524 4614.884437 4376.999343 274.1630629 448.8139885 301.5275016 475.5159785 836.9318644 1211.032016 516.6392841 1791.168432 1095.683097 3758.095948 2942.260116 2550.571952 4183.086294 2197.164665 1994.769465 2496.278497 211.8189682 1100.736599 853.0074611 342.2453368 461.786459 418.3594708 554.9295882 123.7340568 330.2708236 214.2661345 487.2035072 3311.128938 3127.688362 3142.74059 2458.981232 1981.511239 3063.517172 1149.030282 502.4878227 996.5831388 2444.029155 2616.860151 3374.311219 4690.588335 3276.694462 529.5823817 3388.595457 362.3354862 4012.335015 cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene 1260.058317 791.5986862 1014.7805 806.6304893 1018.532449 1062.93087 1028.081378 835.0919313 1084.64899 710.2503666 775.6366401 375.181114 580.6352185 189.63954 30.55881539 849.1463427 309.9573246 478.2341052 519.4169652 922.1228494 603.9750132 619.88632 806.6866703 798.56616 806.4244855 1012.073206 745.2136604 330.1743316 462.2978767 901.510988 832.0982683 789.1554653 784.2699572 267.4056149 403.3680917 596.0611176 742.6618448 1073.084319 809.7938398 855.4292212 823.4086678 813.9999164 927.7139874 1128.641975 640.6082474 1035.179773 795.8576884 669.6491668 713.805866 1052.667526 422.9752618 831.4175665 760.800283 770.1952641 5'-Carboxy-alpha-chromanol 137.5830403 976.1929771 4.07813e-08 4.07813e-08 159.9899869 230.1041937 982.7055914 1074.977574 128.6546139 5235.332333 6660.984287 4090.123013 5127.223392 17359.7124 7132.900781 7784.36654 10371.07058 4107.149869 111.6901623 111.4015372 4.07813e-08 259.0205015 42.14007485 322.839214 94.42657872 4.07813e-08 4.07813e-08 2674.400356 1985.370874 4385.401021 5866.307382 9718.772552 3407.796858 5536.432358 6489.40762 2986.212135 474.9401296 222.2004109 11.40844463 11.21756594 4.07813e-08 76.34682351 98.13934555 4.07813e-08 4.07813e-08 96.56991395 128.9283229 11.3228438 131.3032987 229.0746012 4964.066834 169.4722124 5923.214222 139.1948527 Hoduloside IV 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.386324218 1416.695817 4.07813e-08 15816.07847 11194.1598 4.07813e-08 11225.39187 7166.49573 69575.92148 235465.6423 2.150195351 5135.051377 434.6692923 27.8137689 357.9974722 4.07813e-08 4.07813e-08 4.07813e-08 236.9579085 1649.543425 171846.1728 236.1360876 15481.57956 1819.150348 8902.713932 28397.93808 11702.37333 218160.598 8078.084032 1263.38019 8.21703733 126.8342463 1044.206622 1963.521301 4.07813e-08 4.07813e-08 166.2493693 1147.110784 4.07813e-08 4.07813e-08 4.07813e-08 1.247335055 4.07813e-08 586.7632149 1922.584283 1094.339926 1.743869524 MG(14:1(9Z)/0:0/0:0) 3298.833455 2667.472077 2539.923839 1900.323742 1893.507378 3583.946145 2102.433408 2229.959259 2898.790074 595.8496403 960.841505 883.1363674 798.5002097 543.9061172 559.5008657 1084.095428 869.1728037 648.0411708 2353.637558 2540.499007 1731.382149 2066.814184 1465.896008 4169.124252 1961.219275 2236.250156 3919.935972 386.6387503 518.8050956 619.4297158 733.1395965 592.856332 660.9981384 618.476579 966.8407527 662.0050243 1937.180368 3005.139243 1379.864517 1831.02867 1898.322805 2077.415307 3674.962189 2264.01626 2349.977343 3774.493998 2048.027687 1783.142674 2222.222355 1219.925708 844.2077426 1981.567246 1167.939609 3762.060889 Erythromycin C 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151.475765 89.61334085 18647.40846 13361.72457 9677.264669 12641.77459 11960.84842 9903.980406 3618.121789 11234.19367 18324.66086 4.07813e-08 109.8828231 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109.9332239 184.6612892 61.31970033 6412.144853 7469.191005 11603.10763 7697.441882 11739.13034 6345.571795 5164.220674 7094.778093 9519.097245 73.89957979 4.07813e-08 84.78335232 4.07813e-08 449.4949841 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 230.4306926 4.07813e-08 4.07813e-08 7159.459715 4.07813e-08 19863.78316 167.7164961 1a,1b-dihomo-PGD2 4.07813e-08 157.6753778 257.2250819 139.7453401 428.2809704 1657.533179 806.8530105 419.1806475 909.8391258 140.5582579 0.778583868 3.856584335 111.5636194 4.07813e-08 3.726494579 9.196820003 4.07813e-08 0.634657386 3699.684371 2580.962864 2563.49344 2127.095511 1739.226796 2143.214007 546.4476986 1342.026002 2818.63789 3.65020328 4.07813e-08 0.44411364 20.27580721 6.812419836 0.1144228 0.580837341 4.07813e-08 1.185178805 844.8842691 1009.154391 1424.469387 1358.405387 2259.736857 1130.828895 1881.231215 560.5822787 1359.711183 6107.352293 6604.442221 3138.832021 1848.937094 0.110147568 5.777527427 2358.493967 0.35826743 935.3833423 10-keto myristic acid 5602.90354 5277.040268 4350.271218 4254.530908 5057.839935 4322.386808 4131.997001 5009.380822 4927.781854 3572.965038 3130.304349 2725.407137 3121.66358 2798.544155 2719.346873 4011.360508 2921.552249 3919.086038 3164.441497 3756.629345 2971.263967 3416.839592 2862.222431 3075.981511 3133.714686 3913.8759 3870.21051 2969.329117 3159.691874 3491.552258 3020.031851 2974.108176 3491.232328 2731.002077 4082.212539 4678.510838 3969.205268 2506.81983 2783.151918 2517.071364 3884.553858 4328.109729 3770.277953 3808.371388 3756.159436 3566.358725 3521.8053 2882.931385 4318.042411 3636.859873 2982.427878 4077.009587 3804.745235 4851.968427 3-(3-hydroxyphenyl)-2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol 2014.483507 2332.125253 2896.528268 2648.676658 2807.300675 2409.452266 2282.175255 1263.564039 2201.839476 2064.799022 1208.489597 1317.888745 1976.409426 2339.187843 1109.721267 1652.403931 1704.194356 1527.828379 1206.786247 1815.864844 885.7421944 2764.980317 1312.59173 1634.422365 1934.411192 1862.406592 2167.02424 1177.676822 1372.959703 1895.630864 1692.565724 1396.471719 1891.750024 930.7503071 1204.570393 2286.544282 1694.10085 1376.424193 1501.486644 1094.914303 926.7195486 1614.758917 1791.697538 2746.587995 1644.181591 2337.545037 1249.915081 1634.505247 1658.67606 1923.594395 1834.236029 1564.855329 1294.983798 2476.762751 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate 803.4198184 3004.277248 484.0467574 1633.92372 6858.744599 1651.23613 1151.799744 3330.635478 2280.66056 6148.201951 3400.910349 811.864193 7864.439124 1990.792589 2040.920108 3577.164083 9214.175246 31383.72588 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2101.006276 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3404.704306 7245.634989 22256.58562 24771.21213 11964.81391 12728.12412 4.07813e-08 11211.48436 13046.62417 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 398.6100559 518.1720125 4.07813e-08 1031.885625 2252.104243 2276.289043 1187.090637 10959.30176 1271.711023 13-dimethylarsinoyl-tridecanoic acid 37712.33029 43320.18316 34449.18047 48769.75997 39165.05603 30042.02783 39877.10308 40104.24881 38975.04554 36823.35402 42306.7878 34717.6755 42094.6627 25376.89656 25924.7093 26067.17241 10050.05694 37033.21137 50132.45737 34420.03033 41913.29291 45294.52046 38121.25481 34323.87463 35537.9938 63290.72805 45961.15117 56589.23247 47232.02611 41352.52036 38362.02382 41282.94842 43274.11818 54318.85907 26524.64705 33421.8532 36362.94776 37649.13388 47938.47461 35424.49537 36991.54554 42426.19512 24297.37235 61241.75007 55465.39567 22207.82791 29328.20264 35104.79309 42397.82212 66277.07279 40103.9619 32828.76633 39982.03855 30191.36235 (+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one 970.3220688 119.5213133 1459.892931 2009.945134 2618.028281 206.2022082 4.07813e-08 4.07813e-08 1904.913117 69.07659862 37.36707412 365.663882 4.07813e-08 173.1897654 4.07813e-08 39.03195217 4.07813e-08 4.07813e-08 1294.607798 3680.278759 2849.668817 1623.878692 1392.243152 2547.468756 3576.164408 4677.808974 5691.033493 4.07813e-08 47.3283763 395.6816018 4.07813e-08 79.17319751 94.08531294 4.07813e-08 58.65152064 63.46842192 152.4182254 3012.617763 1261.383342 4968.414611 1176.966915 1330.193367 1802.139633 3930.71307 11264.30885 4.07813e-08 976.0694196 1704.256365 464.8032012 1612.827458 4.07813e-08 266.444139 4.07813e-08 103.3531539 13-Hydroxylupanine 3079.82725 4430.32378 2489.47775 3234.882485 1174.817096 1593.727554 2131.992152 2828.788496 1950.797099 5701.923219 5516.213893 5173.954792 5068.256484 5283.927499 5941.335515 3167.132424 5967.370755 5251.472037 4146.275061 1040.408349 11783.36249 2160.462096 615.0144619 467.4487154 1118.056171 1356.24271 779.6515215 7076.709743 8359.13604 8975.443755 6760.655284 11279.48971 6295.549347 8643.435564 5497.294413 7130.818496 6093.543423 4637.238564 11164.20188 3942.753136 1444.57856 1037.646042 837.0832849 877.6862476 2800.083911 795.5292327 842.3415582 3037.296933 4989.6873 8200.82529 10386.38235 4217.284403 8250.744898 1685.114569 2-DPMP 1222.179852 3838.074737 2481.765258 1129.45285 1428.003283 1427.538492 678.1850732 476.3362102 1062.590977 1278.420417 1198.241852 574.1529536 1253.114728 809.4093843 796.2420997 593.380786 794.1487489 630.4196998 5199.008519 3909.912429 5174.101903 2927.990101 2157.520879 1286.536536 2207.424507 5095.761302 3399.192983 648.7643273 1328.22427 2547.848741 1195.009896 2374.187839 675.5911241 1818.963131 612.0149664 2755.135365 2292.157247 3125.743393 3600.009311 2212.992655 2548.765428 3210.924734 774.7926167 6349.950106 1904.721666 2316.261299 1964.089956 2627.329053 2120.631055 5502.545819 2092.437151 2778.141546 1404.209201 613.9402849 beta-O-Methylynephrine 1796.399662 2755.059453 1499.62837 2299.292962 1958.302014 2434.274112 1953.51534 3323.511877 1953.486417 4.07813e-08 4.07813e-08 39.38438431 49.80726444 4.07813e-08 4.07813e-08 4.07813e-08 85.60670047 4.07813e-08 1209.341614 1214.304204 1781.386328 1342.250278 1729.835925 2052.987885 1620.036143 1166.255661 2452.434103 83.89870224 4.07813e-08 4.07813e-08 4.07813e-08 107.0588384 4.07813e-08 50.41387962 4.07813e-08 4.07813e-08 849.4612628 1571.288418 2252.240805 2661.16755 2273.749439 1733.207612 2724.344714 1720.335902 2166.340807 1986.749592 1612.56041 1532.758779 1985.808337 3898.277825 74.94873439 1889.361966 4.07813e-08 1404.497967 Falcarindiol 1778.723385 1801.611234 5700.484636 2856.260198 3533.045874 10380.38258 8063.323778 6786.153805 6559.942864 4.07813e-08 4.07813e-08 93.19034456 4.07813e-08 4.07813e-08 79.22313777 4.07813e-08 92.11124664 4.07813e-08 4683.080941 11531.66234 6627.646946 7621.099383 7834.009188 10453.38034 5415.452443 2747.249476 377.8715119 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 48.14495905 4.07813e-08 55.08183203 4.07813e-08 53.04189883 3397.235179 4042.036143 3643.70274 6240.155633 9792.688191 4060.504945 9738.857686 2178.3536 203.8599644 16796.21059 9417.927666 13731.21813 5526.632521 4692.39258 2935.486279 7148.604792 241.9051098 4930.2814 Sterol 3-beta-D-glucoside 239.6354573 1020.600111 3692.630206 2805.094523 3277.304828 4817.409246 4094.538676 640.6120873 646.0568403 191.3365326 4.07813e-08 203.0532424 4.07813e-08 319.1590015 168.37566 871.2587362 273.6530632 210.1367145 6046.922952 7397.431589 5486.536915 8008.977293 8386.888442 6227.910821 3087.105375 2704.674917 1073.440765 4.07813e-08 4.07813e-08 366.6599843 4.07813e-08 166.5977457 4.07813e-08 4.07813e-08 301.2750349 235.8136803 886.2799653 4677.462715 3362.803457 4268.872876 7530.718974 5578.186901 4378.358431 1658.666135 4604.016756 2062.826905 2828.37936 3804.986586 634.2070958 133.9282218 4.07813e-08 2353.17366 0.009724023 418.6214242 MG(10:0/0:0/0:0) 2827.434156 1850.453659 3122.566323 1254.113242 1660.808007 5431.264161 3520.594252 2513.19571 3566.148748 1290.891813 946.189465 951.4344672 1559.236039 980.3599154 938.4048939 1155.649175 901.0986451 1459.203777 4034.822886 6160.478398 5009.846315 5239.256631 8651.593606 8997.4349 6084.478007 2134.013473 2017.123451 863.7483909 1387.14139 1135.792803 1233.692426 1052.629466 922.3829812 1495.885495 1058.954253 1349.077373 2948.768073 4439.104209 3766.735657 5142.37009 5670.347257 6771.004933 9120.680577 2655.295044 2733.763742 8943.607883 4801.273777 5389.953989 3410.803262 2315.211691 1760.846982 4054.719365 1393.687415 4797.170948 MG(0:0/i-19:0/0:0) 3539.656023 3090.11988 3919.937868 2822.236304 2726.969658 2205.083766 2575.561742 2618.732804 2995.063888 1162.644739 1665.417889 1240.34622 1599.707152 1754.92973 1506.923322 426.6919443 1318.482169 1902.056739 2039.432671 1640.113121 1713.511955 1615.688276 1113.851913 2289.833196 2039.758844 2009.346597 1182.68628 1395.432872 1685.500478 1803.401907 1833.103728 1280.812968 2040.975544 1560.271541 697.915938 1689.787481 2199.269272 1528.292196 1720.554887 1537.044939 1318.757444 1162.197887 1647.780085 2225.423707 1512.995156 1922.762838 2180.989631 1280.424061 2819.763718 2229.119976 1483.520319 1822.280884 2086.677686 2730.400631 PC(18:2(9Z,12Z)/0:0)[U] 4.07813e-08 4.07813e-08 4.07813e-08 565.3898175 916.384266 4.07813e-08 862.707008 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5912.602098 4.07813e-08 3648.600951 12253.75924 1267.808454 31789.84921 15309.62915 355.5387071 4.07813e-08 155.3974559 1109.422587 375.5997083 1477.168374 4.07813e-08 4.07813e-08 826.1792696 4478.473845 890.9741547 0.113458105 4152.402076 98.54101666 4.07813e-08 484.8320633 2701.5084 4.07813e-08 4.07813e-08 303.8001913 4.07813e-08 388.8685113 3194.553897 420.903226 965.6867819 4.07813e-08 582.520275 463.2932746 4.07813e-08 150.7025582 4.07813e-08 4.07813e-08 316.935717 4.07813e-08 392.4135933 4.07813e-08 MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0) 5655.110217 2675.616894 6381.803893 3179.61389 3795.37046 6447.317822 4757.433198 7400.355169 3561.949047 19.01444314 6.160677072 4.520495752 10.91155896 15.69346335 69.56403378 4.07813e-08 19.7762674 6.141935158 515.4674524 228.1394886 167.4921751 2119.054947 1267.425618 2004.635815 1135.817049 970.8062832 615.8759272 4.705761321 4.578910366 4.07813e-08 8.929120004 8.144473361 4.07813e-08 4.07813e-08 3.467182101 4.07813e-08 744.4225182 104.5075957 38.41971312 1078.572201 1904.252065 589.4122383 2435.683829 973.0827941 953.0536902 536.2194489 1338.108517 294.2927884 539.1935723 4.07813e-08 4.695995061 334.5833033 11.41218264 3197.552097 Hydroxypelenolide 8790.685455 8782.289796 8750.028005 8849.391067 8301.62869 8233.47067 7718.899787 8316.388227 7964.052684 5320.909149 5244.476216 5047.840525 5199.007196 5451.817016 4072.923535 7358.825621 5313.528116 6125.210341 6437.411988 6029.525398 4965.571959 6327.340529 4711.974606 5863.628309 6656.985188 7383.659262 6752.463246 4497.569102 5498.456053 5680.643404 5773.431653 4957.7643 6384.880225 4978.399493 6260.898951 6591.827138 7314.179287 5559.570999 6368.534271 5173.157064 5623.477533 5745.271478 6915.710283 6657.630955 5970.429123 5834.252017 5739.971537 5332.768696 6818.738572 6173.586299 4591.072592 6536.750892 6156.114874 7704.703763 2-Methoxyestradiol-3-methylether 735.969223 4.07813e-08 679.6201414 1167.755996 686.5300613 1398.267234 2065.354559 410.1661153 273.6061937 4.07813e-08 79.46546218 4.07813e-08 4.07813e-08 4.07813e-08 87.97400894 4.07813e-08 4.07813e-08 4.07813e-08 1408.518498 488.4636587 1013.830851 3335.777128 3076.72405 2535.563061 1434.186193 774.9922155 454.9817669 64.02872495 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 175.8611655 4.07813e-08 4.07813e-08 5469.319208 253.6585838 465.6691176 133.7150226 3525.673402 2200.358345 2563.163043 914.0717108 691.936878 1706.907492 3034.279924 2092.318818 752.8129411 218.7381045 1024.028966 1076.107211 1306.644031 1828.544435 13-Tetradecene-1,3-diyne-6,7-diol 1313.790922 1119.686613 374.8856166 226.1453038 198.3032371 1040.594423 1299.202341 791.148282 1051.786947 126.5290587 54.79111126 47.5681407 47.34737069 4.07813e-08 38.05234948 4.07813e-08 4.07813e-08 4.07813e-08 45.03581074 528.2658485 149.3127019 635.6764333 539.6502548 298.065539 303.8269932 948.5883784 639.4914969 41.63249563 43.25400998 4.07813e-08 57.46624246 94.96118033 4.07813e-08 88.74758979 4.07813e-08 81.09867248 1035.878079 768.017058 50.86639664 101.3172675 1291.219582 442.9343513 689.2737263 966.2108109 294.9904553 62.08071315 168.0665545 319.5932099 222.1918557 110.8258052 36.58607596 441.4219899 116.9564987 852.1577363 (2Z)-3-hydroxy-2-(phenylmethylidene)heptanoic acid 5744.057646 5646.518836 5922.968132 6258.249603 8322.607392 5717.105585 4689.291242 4634.76747 5392.540679 4365.260926 3585.133986 3531.414506 3969.423361 3505.493703 3671.717754 4621.918025 2822.386968 4153.141872 4217.197345 4183.452893 3543.388029 4520.465898 4150.162066 3860.145192 4166.34671 5324.197117 4936.351843 3280.985055 4069.222182 4201.123202 4289.172198 3534.895018 4199.619291 2986.192517 4502.188039 4159.094143 5102.024761 4606.546619 4138.692538 3416.035504 3977.704119 4390.179191 4539.146591 5267.124989 4856.069679 4074.76999 4277.719911 4492.262624 3979.369306 4223.729215 3313.965849 4130.264493 4853.351157 5090.398743 5-Dehydroavenasterol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 104.5813846 16.94040447 4.07813e-08 4.07813e-08 3517.855921 4561.68941 4.07813e-08 965.4346819 8229.176591 4.07813e-08 1194.443256 2257.697534 3554.304587 90.83981231 90.45325556 33.77408614 108.3006024 111.069268 283.6304979 39.18541455 4.07813e-08 52.25521336 4.07813e-08 4.07813e-08 1413.4475 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 155.5426815 3282.42972 4.07813e-08 35.41976589 4.07813e-08 207.1894816 264.2274716 4.07813e-08 242.4487458 270.4268936 4.07813e-08 324.33096 91.98904809 82.90240039 4.07813e-08 4.07813e-08 4.07813e-08 178.2209767 3135.758422 4.07813e-08 C-6 Ceramide 1162.860223 2015.341392 1481.951925 1557.152377 2267.824897 1466.138499 1767.401206 2874.04305 1651.175838 2352.12109 2825.714135 704.4276305 1933.201035 1466.59713 661.9840194 2417.045954 876.7083096 1502.972912 1480.513631 1512.694093 1387.008215 1144.07722 676.9331783 399.241618 1013.845249 1733.70188 786.5098477 2468.529522 1286.195437 3059.14423 1766.342812 1781.008853 2715.232534 1552.935555 4102.113246 2136.248741 1975.050157 1284.661159 1270.302167 486.5034033 840.6674965 947.542192 478.1687041 951.2246448 1240.080341 1302.658929 3195.384977 1524.664103 1968.138276 671.3403294 2531.519328 2205.373444 3196.923139 1980.574692 7-Oxosteroid 4.07813e-08 4.07813e-08 46.82762466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1574.412345 163.5741824 5967.759504 1695.493022 4203.819951 6856.196018 2078.082159 10865.69861 3536.052542 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1399.323505 2894.452638 1765.983022 3716.561102 1344.321955 720.2717398 3707.738227 5477.792998 4371.595772 4.07813e-08 4.07813e-08 4.07813e-08 21.57197683 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 189.7826912 4.07813e-08 4.07813e-08 4.07813e-08 1222.221595 4.07813e-08 917.4042532 4.07813e-08 MG(12:0/0:0/0:0) 5373.711867 4445.928957 5164.140461 4793.057403 4383.140372 3872.286638 4576.078159 4146.957017 5048.173136 2684.400344 2778.198048 1560.19523 2366.042108 2284.293762 1513.590775 3087.411408 1325.626869 3395.950772 2839.691621 2802.422797 3265.433169 4158.717075 4168.128505 3567.712863 3662.465935 3569.839993 4765.031721 2293.569872 3532.860883 3230.067445 2155.249679 2782.3488 2788.111592 2942.166854 2563.350317 1732.374121 4243.781003 4101.594932 3283.32522 3478.018776 4285.160344 4051.184311 3796.13845 4166.984481 3968.135237 3473.152786 2900.463968 2999.906784 4132.228782 3708.447002 3012.822197 3358.708624 4126.435022 4025.620333 Geranyl 2-methylpropanoate 86760.88269 85685.65936 88637.32544 84563.92602 79573.69054 75407.06282 68490.43999 82716.87109 84084.13792 61403.87394 58798.49714 47823.72007 58275.29289 53317.31539 40805.10153 82819.09726 55065.10229 59529.45715 58358.63389 58046.14372 55191.00788 57296.63824 55552.88578 54357.8639 66927.48045 83434.1002 70499.26213 45557.30267 55003.48541 67566.57032 55929.86537 53843.60257 62797.77152 49637.62956 68103.2679 63530.43686 67896.204 55013.29912 58004.95771 49175.01763 56890.71765 61714.65103 60402.83835 81387.52023 67380.32568 61193.19382 58272.09023 56928.99511 69047.96171 68229.86364 47492.11562 65925.33524 69221.78586 77797.48384 Tetradecanal 3205.452103 2875.25582 3271.237798 3408.529114 3219.372842 2528.268959 2834.066227 2029.98084 2364.813121 2158.350638 2299.660226 2009.273019 2479.783836 2108.132072 1763.207722 2107.414611 1447.583978 2171.466254 2412.735925 2027.864983 1931.913127 2033.017428 2217.293807 2020.226559 1285.409328 2148.243646 2245.752791 1976.834744 1891.952622 2147.121555 2462.376341 1849.624523 1110.062728 1395.530691 2114.586533 2525.829029 2782.676614 2283.638908 1914.234221 2114.755899 1669.281061 1681.106204 2277.919628 1772.74209 2058.373607 2900.725378 1934.231936 2160.129825 1522.525084 2321.605544 1448.43573 1689.853144 2643.336554 2348.864311 NONOXYNOL-9 48764.53018 40693.94918 42991.4667 43449.78628 40190.87691 39065.5943 43402.70531 36162.39679 33040.58224 28273.00143 24833.03838 25318.04628 28620.35096 28658.27726 27538.05542 30918.20895 24216.10761 28116.98653 33383.0372 34086.19498 46724.32106 28624.27997 29500.54508 31825.97829 30192.5519 34208.6589 32587.13555 25031.54751 30324.66443 33798.17562 34081.64815 28492.20785 25965.18741 24286.47056 42637.07109 36186.59826 35014.92011 32834.28297 36910.79435 28160.31785 26387.05394 30821.19189 29699.80483 35554.56564 32488.66398 35442.66272 33739.84081 32999.06543 28983.31874 31718.21589 24829.07511 33567.50805 33197.16257 39890.98695 Simvastatin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 453.4227637 1349.228991 4.07813e-08 4.07813e-08 3023.906316 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2797.741294 5105.372382 4.07813e-08 5871.118394 18186.70162 4.07813e-08 4.07813e-08 196.2212482 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4755.306068 4.07813e-08 274.5518768 4.07813e-08 4.07813e-08 4998.768178 4.07813e-08 4.07813e-08 390.0589466 2583.344064 297.6302331 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 954.2125785 PS(20:3(8Z,11Z,14Z)/0:0) 7102.957649 9266.79187 8130.055749 7896.548368 7202.068152 7849.251497 6363.051802 6865.19285 10569.82131 7656.033597 3595.832821 5859.896037 5760.391784 5803.712755 3350.616918 5744.037153 3909.183227 3055.839071 5284.69434 5684.736926 6921.490105 4936.985623 4745.975166 5369.564471 4105.765364 5098.782134 6763.759317 4748.197417 6776.046634 8103.017802 6799.475309 6449.987443 5626.835815 5173.952387 4348.436108 5799.248363 8361.556744 4659.241645 6601.033012 5647.791931 4410.590247 5525.482985 4537.874185 7723.699501 6367.293965 6342.341236 8420.522841 6651.280251 5397.316161 4048.812195 5026.024895 5800.845412 7497.881257 8440.051586 PE(P-20:0/0:0) 9000.039589 6938.393147 7583.306038 4934.058772 8908.192002 6071.979638 10964.42352 4880.216179 6090.650748 4561.102615 7091.866255 6711.647503 4617.203011 5739.757566 5331.299637 952.081433 4252.179535 3470.624434 4449.239545 7122.528292 5861.366396 5665.279855 6864.397217 5035.273816 4143.880912 5100.187825 9325.439867 4048.103591 5895.195932 6656.418457 6631.899854 6140.715341 5201.420352 3901.385693 5843.62488 7061.805517 6665.976901 6489.279419 5348.575261 4691.569667 3600.380422 3956.608688 6949.332215 4932.548216 6992.972123 7163.40869 8023.148457 8880.179785 3275.861982 3620.130712 4858.159791 7162.287529 4839.938033 9206.257243 Magnoshinin 19402.66707 21029.19544 25059.38113 24358.53012 24786.3034 22550.89338 23676.68267 10179.62742 12973.37733 14767.72637 16768.96539 15641.2133 16153.8647 17878.33537 15031.19842 5789.858502 8522.323426 14482.20673 15689.84625 17629.13326 16210.00718 17032.85763 17757.03813 18813.35472 12270.69229 13689.96478 18227.95322 16393.20255 16791.47051 18863.39569 19055.0657 17635.901 4158.55585 7522.480395 12268.0089 17785.04785 22396.44022 20539.86399 15897.20468 16966.20636 8307.438606 13405.73172 12370.05586 15525.02639 18479.99438 22006.25124 18520.75776 19939.22487 5727.230001 11096.10923 9583.090714 16993.00998 17569.28307 19203.79908 3-Methylsulfinylpropyl isothiocyanate 251157.5707 261130.6717 242014.0722 258449.0738 243879.9066 216533.8818 229247.3295 230458.4759 228758.993 162408.5011 147198.5094 153872.2675 161206.4854 165559.5098 148695.2799 197132.4042 149896.1289 171509.6795 165174.0388 173027.8694 170068.8628 174254.78 167715.82 175024.2048 197007.9378 210250.9977 194753.1837 150924.5692 173949.5773 190249.907 195380.4577 170120.1036 165125.5562 148871.0502 175122.0985 185705.1185 209389.6158 181560.5668 181550.7865 172565.9031 158662.9393 175773.4056 170626.1911 217954.9462 194443.6235 206202.3532 191957.3276 191941.9086 196343.039 194838.7911 134984.4788 184425.3346 182820.0181 231751.7475 Wyerol 1129.671165 291.8525912 662.6159409 868.9981723 1352.968345 1070.22374 803.6001321 945.5527274 544.9726596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1414.071375 2485.07937 399.0330006 1864.199215 2132.652532 2135.733033 1847.729722 1546.942074 2722.452811 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 925.2977773 1364.575084 600.1670122 1696.042742 1982.542563 2712.86165 2338.321502 1834.005125 2725.355588 1474.187496 1387.806064 947.7386064 760.1605269 4.07813e-08 4.07813e-08 840.1144847 4.07813e-08 1522.280676 bisdeallyalmitrine 2705.323072 13961.80676 1916.88497 6831.670577 780.9132728 1139.224891 3164.668503 4901.349936 3903.881084 77164.30536 28194.8887 39461.08094 78074.59052 18940.28785 53599.56165 26091.09609 24536.88355 57156.72936 1402.76219 1775.939658 972.7542194 847.1942087 1092.704735 1182.575176 1273.710472 5385.631501 1519.423291 70158.02399 52769.91533 24699.66527 44361.60177 26251.64217 45801.1271 54552.73586 46222.8744 26944.84061 5628.810045 867.8317226 1890.706048 740.9212239 1137.149885 1424.751202 1108.097783 10427.94065 1847.580532 849.1897779 1586.288861 2423.164868 4685.651223 12549.27806 40754.40734 2495.19297 30508.06765 3960.589168 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21849.59485 14118.33132 8799.946182 21500.81991 4677.634273 9398.315715 6266.700087 2265.57139 6632.869326 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12364.83796 13661.01097 4776.13702 5476.625153 6766.912535 5411.217768 9449.021219 6311.079853 4072.750461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 709.807163 976.2984262 5149.509127 4.07813e-08 10229.71232 4.07813e-08 Nitrothal-isopropyl 825.5891656 304.899316 540.3575715 378.191924 889.5569015 560.6717074 863.1175831 757.6291547 4.07813e-08 4.07813e-08 4.07813e-08 108.7100796 139.579922 4.07813e-08 61.65129106 4.07813e-08 4.07813e-08 74.07494739 1233.450532 1668.107528 926.1106069 299.4537656 1636.188279 1979.135524 1510.137122 1431.953644 1147.335451 4.07813e-08 315.1501459 103.5091199 117.6536585 96.43477479 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 597.0986859 1103.803352 558.5637347 1177.035816 635.285195 937.6019361 1863.818849 721.114039 1221.669868 2228.746332 1690.585751 368.8900697 821.8351958 329.2776233 4.07813e-08 807.6161074 4.07813e-08 1076.040639 Sambunigrin 425.3642374 734.4199065 1250.604823 1143.805749 1592.361268 946.0548828 2369.748431 1833.888437 1133.244016 86.55168697 242.1374348 252.7416823 4.07813e-08 81.49543263 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1174.014473 3218.744829 1176.612202 1467.309717 3672.926962 3944.180037 2781.467335 1005.492316 3084.047976 239.7756651 95.16200335 298.8357226 246.6269943 171.9248551 100.9394598 98.86602009 4.07813e-08 4.07813e-08 1236.989342 1634.770037 1128.158929 1683.552076 1950.742257 2796.5871 3887.009053 1757.272556 3520.129846 3100.396321 2198.395533 827.3954958 758.4341731 497.9126052 330.9721352 835.4955368 252.4868735 4041.905997 Methysergide 2600.678468 1349.287671 3029.858175 2574.551521 2759.970662 3595.999146 3299.051329 4260.470756 4925.590272 7922.229661 8444.988837 11189.16347 6563.336107 12066.07997 10994.19897 10447.76254 23098.27268 8090.988321 5821.490833 4422.501575 5518.983793 5067.478499 8880.527073 5017.114034 4896.08518 5890.272296 4515.563154 8312.208436 11668.39392 9345.905003 10411.49715 18571.02878 9735.270814 7090.784104 10468.82403 10374.03203 2713.966457 3568.273987 3805.881583 5921.800509 5867.324419 5580.279358 3848.071318 3518.67633 6120.378665 4054.130118 3442.999293 3383.365586 3179.085433 3101.892616 9728.378316 2256.821569 9966.229413 3255.844102 6b-Hydroxymethandienone 3722.014761 1939.053542 1779.323936 3264.850087 3149.941726 2576.597364 3542.270133 3541.038133 2426.281487 2034.606994 3162.933743 1177.495257 1657.09481 3501.850266 6411.500113 10598.85956 3644.028273 3260.939677 3854.768718 4290.159321 2347.262161 3998.349859 6636.420197 7264.994906 4816.150642 4153.047708 5013.642906 1794.667563 3106.085954 2823.70027 4283.146759 2738.315036 2599.746661 6741.197978 4333.311198 10208.12562 3210.149478 3248.572635 1529.302219 3227.970352 4841.491513 6693.291404 7745.949362 5449.013392 4430.374212 3891.694595 4041.047737 3182.064791 2499.025554 1740.209228 1788.385567 1567.087363 1677.565879 4656.873944 Tetranor-5-NO2-CLA 136.6580479 2004.564939 606.1998062 2216.22215 2184.318874 2490.026711 1020.566054 2040.267115 1167.591305 468.1010345 489.627129 116.9680482 503.9289011 420.5651095 314.240298 4.07813e-08 225.9998198 472.947427 4840.263916 2540.863612 2815.125306 3466.498433 2242.945158 2126.39489 2747.823284 4119.576911 1944.601852 343.2901279 4.07813e-08 451.9433845 464.6122372 1311.017112 354.3058555 388.76471 199.380679 117.4721987 2305.897162 2880.624402 4181.946675 2680.546025 2230.235896 1481.188268 1756.124593 3765.080931 2497.530455 770.7138803 1240.918275 2427.940668 3152.909893 1789.076858 789.1015669 1593.548926 640.8597274 2222.701358 Corrinoid 10858.20827 6403.442663 12397.41428 11267.59372 13181.60097 11646.68463 9724.274717 8764.064996 7342.873864 4.07813e-08 4.07813e-08 101.2434097 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 163.8570907 17544.00964 15609.20327 5927.264321 16132.43825 22855.54638 16282.23282 16552.16145 18784.48228 21001.14684 223.9025951 4.07813e-08 190.460077 696.2275371 4.07813e-08 251.2395688 4.07813e-08 675.7102287 4.07813e-08 8991.899181 10544.02351 5033.28132 15391.59162 17416.75246 20744.38433 15877.27722 20498.9366 21711.24871 10544.44204 6881.703911 10691.79627 7126.801258 3752.603734 4.07813e-08 9193.488976 4.07813e-08 11057.43342 1-dimethylarsinoyl-pentadecane 377.6682892 1411.886321 875.6916306 1055.834333 500.6250401 1194.908297 1348.684378 2419.659384 2679.243574 10803.69714 10338.4838 10331.36861 11172.49873 17359.20806 14826.67204 14749.2971 23936.10617 18779.04608 673.2053952 808.9172109 745.2016063 202.2778054 1903.95372 1088.048384 796.4157775 751.0828399 2141.600304 15522.97935 15514.04656 19145.18358 12802.87615 18454.84333 11392.30728 9986.390419 9150.208636 18426.49047 348.3086352 1322.851802 1164.452593 2456.350003 1644.790448 585.8160067 958.4628532 365.624007 1124.141999 3678.936329 539.9198865 1429.570176 455.5768657 604.326551 11953.00434 790.0133422 5583.281469 665.2328669 xi-Linalool 3-[rhamnosyl-(1->6)-glucoside] 9737.57801 16012.28889 9095.829676 9908.721834 7372.423868 10662.41988 12638.58562 15784.79666 37492.87933 9375.336136 10539.38481 9596.620733 13473.78227 7450.427936 12667.22084 7867.692089 9717.859267 7678.150887 14622.66654 12509.34582 13203.13529 10372.18893 15439.90903 10753.57002 10418.53596 16836.06934 14832.15338 10478.7857 10192.94501 10462.45401 10202.00289 10345.80882 7864.171809 8322.329835 10167.65836 10431.9529 8919.381903 11094.34806 11637.06827 9466.505159 10132.29339 15076.15915 9058.653061 14005.68911 13869.35552 8336.630878 16295.80322 8740.086201 13921.71571 21543.71846 11495.18571 13333.70946 8590.166104 8125.037997 GEDUNIN 1445.307558 2308.754769 1388.20551 371.5445563 4.07813e-08 843.2644598 414.7524075 1116.47277 2629.91728 7481.845464 8655.018691 7474.050566 5446.456242 4138.149449 17130.5115 11700.08361 3537.82367 4282.596132 817.9636264 740.261135 1063.648425 206.3670959 543.0856664 238.8197744 965.5349008 901.4660886 506.2260103 5087.82365 9769.32629 3383.562188 10704.94913 2472.370121 5439.133758 4678.84104 5534.842753 6735.654002 2396.065275 98.63062488 275.8195494 669.9720955 957.734394 361.0182449 4.07813e-08 917.911957 904.3918041 4.07813e-08 547.1201698 870.9987223 1175.687406 1018.182699 6693.175677 460.1485271 7596.585556 201.2808448 OOB-PG 2172.585151 871.0129937 74.89872262 898.0105904 4.07813e-08 213.0358717 1348.474192 3241.983075 6317.703026 5166.803132 10040.45483 7162.41833 3706.950275 18262.99836 4772.177315 9245.684367 10590.66406 19349.75223 4.07813e-08 144.4128394 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6105.6636 10005.35451 20119.62385 5541.014561 47711.34377 8912.097567 4386.300078 3296.880469 12227.56605 4.07813e-08 4.07813e-08 394.6552365 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 281.9997264 28.76650481 1082.456379 4.07813e-08 459.6698264 8840.82747 9740.694092 56.32923205 2331.193095 4.07813e-08 Lacinilene C 2299.491135 983.7004539 2664.984582 1635.200691 2823.76598 2760.130291 1783.874311 796.0385113 1564.086867 4.07813e-08 259.1863659 232.2664465 316.2376628 302.6777307 293.7717024 4.07813e-08 76.85339883 519.4431006 4569.462848 4437.708162 3357.090221 4156.568005 4583.46384 4230.206178 3734.225219 5103.63346 4475.828313 211.1564148 80.70136449 319.3198325 201.4324128 251.4861192 328.7722511 89.33217793 4.07813e-08 101.1614155 3194.859845 2775.103654 2882.70725 3319.467358 4499.107313 3428.188615 4199.51504 4015.812707 6135.709992 3544.953166 2108.678677 2762.352445 2120.033792 1696.18979 442.4984981 2492.334539 405.420267 2710.724073 N(6)-(Octanoyl)lysine 949.811117 827.9085636 1238.21675 493.1125978 1102.386738 655.3396925 883.1777797 1016.509312 622.8575987 486.8016328 655.506591 4.07813e-08 356.0247662 123.1971507 1016.892196 204.4978782 338.0014718 176.6834157 1621.283874 1117.461198 1026.963172 1022.672397 1097.318063 1073.413869 1193.382078 1845.772086 1202.527052 200.3186577 276.0492698 318.2363457 161.5038339 321.4904546 193.9584326 220.0720426 75.70572155 217.5805009 818.6061016 874.8299435 1275.156484 1022.239982 882.2699176 988.686303 956.489832 1554.439673 1600.207013 581.9429946 724.1384286 1010.586886 868.0692116 946.7677638 307.4603395 1359.886546 304.4011305 449.5219843 DIACETYLDIDEISOVALERYL-RHODOMYRTOXIN 1066.476068 2280.557066 813.4191014 948.6367177 1514.38708 645.3200668 1158.125606 889.7734791 1414.90429 1992.826778 2020.916074 3723.787761 1557.655032 5535.927286 2003.513638 3851.737421 8953.837631 6501.969476 712.3919198 742.7148844 789.0339408 931.8193151 1374.107068 791.2160339 901.1824837 532.4335211 1625.299602 5251.799114 3192.308238 9325.137806 2433.133088 6778.979006 2605.338791 967.207448 4666.822477 5176.520871 1904.444588 786.1007938 550.1423825 651.2628677 966.0749213 973.6033532 1480.104191 1303.997747 1745.963971 1872.870879 1575.837873 795.1596968 1382.239061 743.9552717 6760.853078 1207.728303 2173.835947 1385.90998 ANISODAMINE 7353.796978 4649.745602 8997.126365 9551.787046 11862.30285 8204.548563 10138.35619 7867.434183 5321.209151 220.854265 114.8099942 522.1249271 211.9722953 344.8925778 288.4907289 13.00480753 243.344903 295.4407214 14004.04234 20099.32873 8307.529718 12498.47915 19256.55509 22001.1057 19329.85792 18344.74482 18519.45338 116.0981558 16.15098906 322.230928 108.7253885 436.6214325 423.4874544 144.4190513 204.4550471 502.5061446 7967.37937 12862.71922 5824.915501 10886.67292 17328.75928 18610.29442 18994.33189 15824.77831 22319.88894 15097.07939 10641.42255 9198.861779 6574.481626 4315.123603 110.7488976 8331.411633 260.3630976 15019.07705 Cysteinyl-Isoleucine 103.3499459 2017.517998 347.0410855 654.32229 233.1946809 240.658862 423.089885 262.1077089 246.613061 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2039.056516 4091.714375 4390.642586 8886.604107 3611.943728 2637.400491 2036.985658 3372.510762 3162.296298 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 248.434343 1870.908229 926.1949124 5774.505347 1843.900214 1714.104343 1187.63247 2648.204995 381.9778617 666.0984479 461.0986156 739.5446382 1339.148192 2841.297778 4.07813e-08 1440.521929 2.446644855 1361.374772 Nostocyclopeptide A1 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14986.04692 22960.59136 15743.08783 10928.01236 4088.544875 33941.37171 19977.73811 11108.63361 10112.99004 4.07813e-08 3.194871767 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4419.746153 16363.07725 4607.303077 16399.30698 4408.428777 16167.58945 23438.0756 7761.870677 6528.98275 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 990.0707729 4.07813e-08 7824.339464 4.07813e-08 949.2991168 4.07813e-08 1-(2-methoxy-13-methyl-6Z-tetradecenyl)-sn-glycero-3-phosphoserine 38583.72455 30649.08398 27289.31977 22565.49011 32262.44584 33947.49294 36762.00803 28545.71894 26701.31622 5600.492085 8395.152196 10582.54881 7320.659586 8418.815289 3829.256459 2509.073375 1601.585482 4470.923167 68354.86295 65963.986 54457.13874 43250.14907 70412.49189 54010.17766 55688.8599 49926.77265 54561.59685 6272.224026 4205.405098 8447.35665 4435.523409 13613.13238 8250.429952 2128.104718 3053.565859 4829.025202 36321.53176 45290.39381 43562.17226 45698.88968 50802.12831 73807.14776 43911.00266 46385.4225 70353.99165 46484.94048 39233.61923 42296.2551 29107.38918 29368.78706 10198.34335 41122.52801 17103.3929 42014.7311 Pristinamycin IB 5135.110275 21254.33494 565.8145584 4.07813e-08 4.07813e-08 4.07813e-08 2593.455202 16663.33295 24870.46345 247634.9345 380063.8209 256971.6927 222706.8141 134842.3448 603449.9653 467719.6385 285215.9521 245770.1691 4.07813e-08 4.07813e-08 1008.813726 4.07813e-08 4.07813e-08 4.07813e-08 708.9075898 4.07813e-08 4.07813e-08 192944.4429 380530.892 112145.3807 415222.3843 150611.085 316114.6 447192.4184 311812.9165 216099.9487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1031.223319 4.07813e-08 4.07813e-08 4.07813e-08 760.6352538 477.6203136 2083.380682 8079.106998 189289.0961 1219.34141 99938.55688 4.07813e-08 SU 5416 857.5480113 1087.613673 1817.640363 2554.820196 2107.78378 1591.698872 778.1841251 345.6458602 645.6509957 75.05375524 187.6229641 827.3658778 4.07813e-08 684.1106709 4.07813e-08 690.1291207 95.46133823 183.6859025 1175.339575 864.6894719 1399.960319 1830.081085 1519.383501 934.848353 666.4013934 1372.577881 1030.665318 4.07813e-08 158.2861577 625.4273058 4.07813e-08 219.6923466 656.9962593 4.07813e-08 369.8423812 571.7226137 963.9418513 845.0329069 851.7076979 885.7282477 1233.95714 843.2084765 1252.698748 1333.907226 1548.515233 994.5656643 294.175406 594.6843495 708.4173709 279.6445654 4.07813e-08 290.2816965 4.07813e-08 970.245474 FENSPIRIDE 4943.374298 3056.849363 6899.417339 4874.595949 6988.867077 6411.916767 6035.295008 6777.160044 4314.986635 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10993.27401 13022.51623 4976.16238 8248.839995 11389.82647 13118.62126 12023.48539 14291.89528 13438.06238 4.07813e-08 4.07813e-08 4.07813e-08 74.63284328 4.07813e-08 4.07813e-08 108.3444378 4.07813e-08 4.07813e-08 8603.488477 7854.260474 4986.121048 9065.441175 11906.57212 10719.79244 11976.16305 13259.34513 15719.82787 20568.04335 9281.318882 6480.645889 7466.374498 3317.024536 4.07813e-08 5773.91832 4.07813e-08 8901.276937 (+)-Blebbistatin 6745.387407 3699.062199 6109.838072 3503.007533 5556.935354 5880.493496 5293.757447 7127.702814 4330.604691 9.456643044 4.07813e-08 4.07813e-08 4.07813e-08 37.08984127 43.0801701 4.07813e-08 4.07813e-08 4.07813e-08 8295.667015 8211.095607 7110.092171 7539.849267 7516.274893 7894.710518 7525.041471 9814.870076 9979.374767 43.81343561 94.85770098 59.20865081 36.9107383 115.8109109 9.069275861 53.00510416 19.18297593 18.07096411 5924.743151 6959.986115 6831.66505 6821.812787 8808.211299 6988.977096 9074.209092 9121.0797 9817.802826 8200.945448 6458.480674 6907.055514 4894.181592 3643.516995 91.36872752 5130.644646 22.81837119 7817.191053 OA-6129 E 3668.731092 491.0776132 2662.38475 386.7945156 968.3926919 1524.432015 1424.780534 2383.275098 2061.145737 4.07813e-08 619.4873249 4.07813e-08 253.4456306 875.8373217 4.07813e-08 4.07813e-08 4.07813e-08 218.5238864 5689.274499 4551.208137 3441.613679 2875.280169 4105.816083 1383.974352 3167.51116 3363.907741 2374.921118 4.07813e-08 986.6440758 206.6523443 1679.0858 2191.456917 232.777737 4.07813e-08 4.07813e-08 4.07813e-08 2933.289279 3106.575765 2974.214658 2177.272154 4033.692092 6838.815767 1390.827373 3713.235268 7367.020243 1090.229513 4725.940298 2499.737279 2203.609468 2168.023686 255.6466671 2586.35575 1003.104103 995.3177801 LysoPE(14:1(9Z)/0:0) 7854.444366 5307.834664 8203.073849 9397.544594 6074.364729 4836.226781 4333.435381 2692.726632 2398.410432 413.6905752 402.8387595 522.9176217 1185.609224 737.281502 4.07813e-08 4.07813e-08 177.718864 466.5164726 6279.117913 7520.79987 6254.074403 12769.92263 6178.334005 5692.793288 3787.737223 3034.677344 1779.719753 201.160125 267.4423654 775.1597493 134.7596963 1043.905866 748.9960151 1527.153691 144.9297359 328.8207166 9437.513411 14321.41292 10841.8816 8676.386111 13461.56506 3533.783486 6165.65761 1315.797097 10263.95791 5891.523555 3038.980803 2791.566099 3356.551794 3127.842798 1472.552327 1627.111669 2557.5116 3388.907118 LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) 249.9196158 4530.597186 262.5272035 366.8676254 170.0009496 1058.659869 281.4479507 272.6273867 1117.874834 4117.154639 6814.863618 1946.14236 8970.291178 6425.551224 292.9068435 548.5397257 4.07813e-08 716.681733 4.07813e-08 29.86636154 308.0193466 286.4501662 480.4495834 119.9077028 447.3182881 201.9864425 62.61668917 6908.830913 92.22978956 209.7520365 120.6953353 1764.678038 4625.753493 627.096934 247.1690158 394.8178762 52.49339306 237.2530729 4.07813e-08 505.6547635 4.07813e-08 4.07813e-08 4.07813e-08 169.5561118 4.07813e-08 274.1357346 11286.9744 4.07813e-08 4935.568638 21763.19361 949.0088431 4.07813e-08 56682.71104 9939.496206 LY395153 449.2493564 455.722334 1390.904836 387.148544 9.456210881 429.5653116 0.365678916 35.5906215 3793.981914 10244.19178 11471.2463 12604.95998 8474.494108 17020.54112 17168.51136 11744.88934 19361.01335 19601.20411 961.2501115 1478.848044 1710.470855 941.4441318 1333.371998 1019.206881 438.6977134 1099.776722 746.2342053 5582.760616 16887.32645 21158.55487 8557.117353 31940.39644 13726.79036 8952.07896 4683.014834 10310.88641 447.6179695 1435.087343 658.4164918 1639.177905 1060.786437 1387.217926 1197.138534 1229.028507 1358.032624 3401.629894 2018.512934 881.7213462 288.1244548 434.7577269 16175.89518 1070.272531 3541.351404 617.2325554 Hydroxydestruxin B 4791.413322 988.3810465 4755.102358 1922.52299 470.2584581 2222.518901 4907.62375 2916.458931 4912.399405 8273.783047 20045.40825 9936.561667 4934.087341 7144.828325 10496.43714 14268.40275 7025.454023 6301.184471 1716.286505 2590.90134 2643.830293 2480.493116 4.07813e-08 4.07813e-08 937.2332202 10671.34911 1163.839402 817.1939583 5851.008736 5863.245752 6882.413649 6573.942866 13882.94579 11933.43895 6439.025872 3861.060586 3316.711511 2884.083751 1553.420678 1114.701188 682.249287 4.07813e-08 4.07813e-08 8669.172385 2071.609773 4.07813e-08 1106.242987 4.07813e-08 4.07813e-08 927.8751849 4082.672999 4.07813e-08 3569.436711 4.07813e-08 (Z)-16-oxo-octadeca-9,17-dien-12,14-diynoic acid 30029.48707 17632.52954 27499.43836 19459.20209 25066.73568 30199.11918 22139.06243 24336.00171 20476.52073 3562.338882 2771.359496 3450.064658 3627.199392 3707.689885 3768.148999 3884.762144 3814.36977 4164.749834 42414.60028 35090.58186 31069.7221 34804.31777 37336.89403 32684.84787 36636.96977 47086.29924 45597.42137 2725.908598 3181.127244 3794.49315 3637.009629 4252.755025 3942.901058 2981.233749 2924.918981 2992.528894 28031.31342 33314.60025 27890.91709 30042.48456 44649.02951 34946.47661 33902.95666 47110.38679 57037.92973 30229.98683 20594.57631 29017.24995 25472.48312 19851.03963 3671.850014 27548.80422 3285.572172 27717.13961 1-nonadecanoyl-glycero-3-phosphate 1006.298601 542.3899271 3184.051534 3840.249636 7344.987686 3702.443563 1925.703262 1396.222006 1759.186753 4.07813e-08 183.5246484 690.638471 170.8809578 987.6490572 4.07813e-08 257.1776852 4.07813e-08 215.9295052 2743.390543 3226.761157 1307.483069 1959.336059 2451.474168 2655.593189 2400.384426 1807.634696 2899.60925 4.07813e-08 4.07813e-08 1811.045731 4.07813e-08 194.0492498 190.3945072 4.07813e-08 4.07813e-08 591.1046944 1604.404617 2962.569782 1519.613692 2256.442779 3005.101198 2777.107793 2401.148172 1452.222158 2831.723392 1905.379045 1997.130783 1765.862653 1594.251026 907.5896133 4.07813e-08 2336.888403 4.07813e-08 1975.732373 Lepidine D 2429.404911 1391.73256 155.4858839 445.70653 9.75303215 127.4639224 467.0063597 508.104933 159.0035254 3887.083552 5752.780233 6747.913165 4397.775654 1390.172151 1775.077259 3114.774636 7872.553219 992.6142243 523.2359907 608.9058454 412.0544901 34.53846723 1072.620935 579.7055414 173.0388808 833.9509702 548.3859247 3240.231628 4976.409039 12893.68127 1642.101975 2714.479013 5889.717414 8070.806419 9787.296775 465.6715697 1054.439676 307.0997854 272.4359632 246.9714877 334.462367 270.3682468 762.0806276 254.2154387 1012.524104 3.750915057 143.5663174 578.9508419 584.5287526 232.5131221 7288.308778 142.9813897 11411.81389 661.5451545 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 971.8495252 2892.651912 1447.491777 1800.472905 2972.33791 4512.18139 2797.865396 2422.269221 1429.101031 118.5738303 314.1709625 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.5166257 4.07813e-08 688.4501999 2823.447832 2213.188196 1825.923911 4554.19782 4187.203849 2429.440276 1433.620465 4025.737806 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.148326986 4.07813e-08 4.07813e-08 380.2288106 3000.769536 1318.101964 830.4833739 2772.797004 2388.04226 4749.432386 1237.071155 3213.452418 6260.851616 1450.491236 1171.714981 1356.595843 1308.139555 564.8385535 3291.810352 4.07813e-08 7473.841788 Peonidin 3-rutinoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4937.398305 13331.70276 2040.691045 3085.389198 3976.381071 2881.253056 458.1519565 4610.62765 4291.812301 4.07813e-08 125.1131801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1373.839683 3814.096257 3504.578376 617.1760977 9364.349466 11.09840065 471.7574466 433.4063908 451.0541515 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4069.640554 4.07813e-08 3065.122045 4.07813e-08 cis,cis-4-Hydroxymuconic semialdehyde 1846.66591 1728.626914 1603.029472 1644.102065 1766.251089 1384.138212 1185.700181 1467.218232 1392.342626 1101.057967 1079.01244 1148.538202 1021.578113 1072.931208 769.5947416 1368.063379 1307.324457 1110.452319 857.0017761 1033.573895 1121.52959 992.343034 820.2981995 871.9602437 1333.56408 1315.699571 1136.557693 781.96341 1152.937657 1407.509544 1114.776666 930.0113682 1091.249044 1060.932036 1655.175959 1248.062123 1562.825386 950.7686587 1040.905797 855.2517071 972.3055397 1139.685898 1148.888335 1420.204373 1237.997782 1131.494055 1106.908596 1089.121321 1165.334576 1393.482585 1044.02299 1149.396202 1317.321969 1235.031004 (1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside 4030.886534 3934.058563 3752.169841 4599.279216 4616.267967 4301.947512 5336.341915 996.6749734 3440.837493 5.64742858 0.18521461 3.490518746 90.29110356 7.968049875 10.01806808 5.766274364 1.211044083 128.5385599 4756.938009 4528.346488 4640.397351 6019.820583 13933.43532 6261.120938 9189.640298 2086.598288 3474.201107 3.448213285 4.07813e-08 1.563046009 10.77723045 4.07813e-08 3.465604694 32.91309569 0.291578742 79.25201419 2426.266236 5799.962759 4877.805718 5027.938117 6608.719687 9152.1309 5143.927924 1580.88375 2444.253426 5862.049142 4142.550394 5466.790133 2089.520784 2456.305482 4.07813e-08 5453.646684 360.3804616 1226.383374 3'-Hydroxy-E,E-dienoestrol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3434.550747 7564.54918 4858.777371 4011.692127 3812.807395 2079.980255 2254.499678 4805.383371 2663.611672 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2466.657279 5772.382737 5219.234585 1884.452887 4850.524733 4118.091394 3116.279024 2789.056455 1608.413965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5837.143665 4.07813e-08 4236.6035 4.07813e-08 Dicyclohexyl phthalate 3090.175286 1562.740534 2184.769627 1000.575212 2399.302506 3044.952055 5623.73332 6746.815385 4340.977322 4.07813e-08 4.07813e-08 98.91020477 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5986.754622 9528.849522 2947.38735 7159.743123 10868.92709 10025.42822 7327.73916 9359.336165 11311.71461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4032.4435 6799.713538 1982.477611 5744.189044 8346.498482 8622.460844 9075.309206 7577.776174 9341.4973 7089.912917 3839.546292 4177.681747 2650.166584 1161.214327 197.289464 2507.867527 4.07813e-08 5664.523936 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3499.93406 1583.260463 4442.870764 3573.426626 1134.632465 17399.75913 3225.643796 12898.383 1290.635158 4.07813e-08 6.446674014 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6468.0616 8214.874986 4.07813e-08 9630.431875 1803.488754 2964.246331 1788.131407 16435.53051 4077.421271 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.3789889 4.07813e-08 4.07813e-08 4.07813e-08 2075.05568 4.07813e-08 3326.698291 4.07813e-08 2-Phenylethyl hexanoate 4.07813e-08 67.06788999 4.07813e-08 4.07813e-08 0.058687868 78.49462103 4.07813e-08 87.13337625 4.07813e-08 146.0732762 50.58526983 128.0158536 104.90955 35.99647389 165.0747687 44.26723218 104.5362479 147.6517785 4.07813e-08 232.4396511 85.03134171 70.70751572 4.07813e-08 73.52422311 624.2264025 321.6533747 448.9877494 148.8593903 152.3989987 122.2694971 86.19747958 117.8738429 53.48885641 287.879818 56.86430313 42.87499206 252.3979965 227.9477969 157.805171 215.1454994 150.4420925 162.9307037 365.8170197 375.8522773 182.978281 315.2631849 185.1774891 266.1800725 130.9165561 122.2026954 388.3832818 290.4818758 72.50673682 179.1689606 4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid 2593.907608 1257.390093 2089.4679 2292.186043 2466.8564 1922.416403 2828.302557 1939.131772 1469.140704 696.4910954 722.4808851 461.20478 688.2696849 574.0553766 649.6089495 652.9220038 455.2880071 1016.030339 3744.227867 3541.481687 3798.800727 3412.987472 3307.471147 3122.201248 3352.18549 3864.054333 3529.246315 409.4551716 650.1091601 1133.607735 752.3420962 629.1098025 848.0926242 606.6790018 622.5251792 1037.423856 2361.730658 3407.981721 2882.330934 3728.630466 3300.337394 4259.148001 3643.677359 4339.527556 4245.949406 2942.141596 1939.081336 3606.889187 3115.978049 1704.508411 911.4046187 3143.353929 954.4736115 3550.724654 Nigakilactone F 18054.3776 14622.73751 14194.95736 14224.7467 15757.19897 16768.63155 16345.4285 15286.18897 14398.87313 6631.184247 5880.418718 4490.669751 8213.257609 3696.239219 22187.09629 697.5782995 3306.478565 5494.160732 46807.75074 41916.65119 36083.58414 34347.83986 43749.62348 41292.89045 34192.7291 42428.39211 42498.99038 5030.652936 7781.696228 5121.383057 3343.343542 10667.70158 5798.403613 8332.149797 1763.064161 3888.034196 23755.5962 35864.07016 30711.53213 35387.17821 36899.87612 42321.1389 33586.35968 39337.02596 55817.81882 32047.91976 23117.82983 28886.67529 22600.57591 19595.7993 13529.59124 26750.01746 9884.694089 23217.06502 12-oxo-5E,8E,10Z-heptadecatrienoic acid 237.8591525 119.0715575 912.7485924 596.7765539 1072.235748 526.873412 294.2207867 225.5665308 227.8443304 8.332759322 18.30786088 33.39813865 7.808478081 4.07813e-08 4.07813e-08 26.40591966 4.07813e-08 56.26211495 2684.560938 2186.351948 906.4225792 1989.674451 2398.369304 2216.499311 2076.255591 2707.178162 2541.829414 4.07813e-08 40.19117456 84.04057286 28.09275588 4.07813e-08 37.78730824 6.252337431 40.635688 10.78450182 1268.937765 1748.891599 952.7525016 1884.096018 2225.464976 1794.777858 2088.532105 3029.124626 2937.870893 1562.083228 1292.536168 1340.959067 815.6664912 574.0034889 4.07813e-08 2033.376641 45.22289479 1705.511487 Citalopram N-oxide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16409.89993 4.07813e-08 2336.489611 19029.53812 4.07813e-08 11505.85245 115.9818522 8593.689114 566.7436574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6545.915831 13910.11926 4442.530149 18536.12163 27204.72613 31574.33023 16428.92501 13411.68217 13444.90358 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22469.57647 4.07813e-08 16736.08305 4.07813e-08 6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) 1252.111308 2324.503699 545.669566 430.5995953 286.8925818 491.083032 196.2592593 869.9403562 3491.192689 13922.06283 8603.060721 22975.90396 13125.72199 36279.40041 24541.5949 27758.14689 32949.50205 29066.14248 1249.047139 1082.635935 726.2080132 715.1718975 1321.168603 792.4840706 590.2437045 989.757905 1232.410829 22678.86241 9514.041862 2249.946271 12078.2378 4931.93146 3026.094244 8082.120673 20522.32463 7764.450327 637.2241565 992.9588968 627.0076636 727.6767089 723.9435869 823.7474413 1011.04929 1039.487366 1001.193684 590.9777749 8053.351575 1573.193188 4407.161264 564.2856531 14347.93802 2200.517683 3120.63373 2817.695777 Nigakilactone B 12412.62867 12063.10827 11606.69162 19937.77031 25417.42661 17362.96472 21748.02546 7628.692088 11343.30501 1327.169282 1432.697918 2525.230813 3047.979058 5454.286705 3569.681262 511.4616807 1302.106406 3260.135104 22251.62192 20577.25588 17619.02227 19273.11054 24296.41521 20256.95456 19454.40523 19244.15695 18624.61232 1108.176401 3851.972904 3527.999587 2313.013544 6284.081796 3534.930255 4212.654392 1019.223344 2901.616653 15971.65989 18114.31871 18237.35049 18863.52062 20347.23174 22406.40301 18766.30818 19733.31006 22977.68833 19324.394 16693.83281 19387.31233 14374.45833 10886.8647 5734.697472 17779.42306 3268.898487 14315.60944 Anhydrocinnzeylanine 6793.061543 4441.728112 4620.710392 4608.0896 7315.620193 5961.263146 6977.473924 4921.689176 3842.243336 998.4068865 776.4503302 1647.832766 3216.663983 1174.3769 968.2973245 4.07813e-08 792.274768 614.2623232 14407.43978 14392.96229 13490.04054 14265.60281 16691.00141 14154.56584 12978.87094 14894.92343 12783.36826 1123.140547 2427.74786 1429.763099 1113.756323 4449.982226 1979.18213 2542.97162 697.7975042 614.0096972 9565.023237 14499.58982 12448.97887 14027.68142 12371.35183 15498.91247 11205.58959 15775.51341 18624.77334 12307.30996 11278.8981 12724.72589 8717.916409 7770.127693 3670.966682 11993.66934 3640.431692 11718.49265 1,3,5,11-Bisabolatetraen-10-one 1210.983299 920.0709649 994.6563264 649.6203219 743.113395 1105.987992 765.0356129 540.7320983 1087.868793 118.4382863 68.91349238 136.3638057 177.154792 190.5834894 145.4847419 4.07813e-08 184.8101899 165.8677521 1183.120579 1140.303053 844.5823111 1003.82757 1225.894434 1059.190323 783.8229787 1332.474286 1664.776704 58.40452097 101.699915 114.9259662 328.3322079 386.8139451 277.0627046 243.5269579 322.0315713 79.49479489 797.3365527 1080.403779 1168.887267 1122.362663 1377.089086 1181.689178 1307.523834 1199.799363 1402.548586 1010.344346 544.0539629 875.8836541 833.1027197 652.7101426 312.6988665 830.167814 316.032492 961.1317753 Nonadecandioic acid 1577.624395 2102.485025 3560.611672 9311.740025 3926.183025 3099.208472 1946.28274 1790.714994 289.0379068 4.07813e-08 0.067641121 4.07813e-08 4.07813e-08 0.004480409 4.07813e-08 4.07813e-08 13.40432972 451.7159109 1388.529241 2542.828899 688.6440694 2461.900697 522.3748397 2723.977052 1775.868475 4.07813e-08 4.314749421 4.07813e-08 0.270730175 0.039093936 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.45302098 0.049190785 765.962824 1338.482968 36.53650868 1016.734431 2647.966414 975.8536176 3349.051253 4.07813e-08 203.9191562 5.222785975 4.054690191 4.07813e-08 3.887969031 14.57658626 4.07813e-08 4.332590428 4.07813e-08 1245.607879 (2Z)-2-[(3-hydroxyphenyl)methylidene]heptanoic acid 596.486194 530.4782801 499.1984323 615.106204 835.4691409 759.7188764 1220.957165 597.9745344 456.2871683 41.78776007 33.46118993 4.07813e-08 107.180126 139.6974061 102.6815234 104.7356375 68.46829725 137.3473778 1675.404244 1411.650769 1173.130786 1307.879552 1465.969633 1797.371417 1824.389285 992.7656678 1271.115855 61.50436424 114.108173 86.90784725 4.07813e-08 185.1798119 4.07813e-08 80.80865756 4.07813e-08 262.6941992 780.1160049 1914.139628 1489.379233 861.8882941 1674.944169 2046.67911 1562.063552 1628.323381 1765.148226 1499.49166 942.1259813 1464.572409 359.9071425 897.8314381 173.5336713 1412.046622 4.07813e-08 775.0028076 2-Polyprenyl-6-methoxyphenol 1311.107864 516.8404762 1707.789083 2243.277241 2024.810007 1320.632805 1396.375187 1278.622477 1476.887825 4.07813e-08 0.515429024 165.9556383 4.07813e-08 97.34600295 4.07813e-08 122.7429141 119.6474206 66.04641242 2199.905123 2147.613753 1481.996902 1708.987618 2052.12302 2590.214113 1745.167849 2492.923492 2327.368999 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 163.021689 4.07813e-08 4.07813e-08 4.07813e-08 1298.362765 1855.534735 1217.857435 2013.154507 2309.828665 2114.554285 2268.855625 2004.128439 3151.17716 1505.534428 959.2760596 1028.075467 669.9421756 1055.777289 0.81124701 1035.775912 4.07813e-08 1205.159264 PE(O-18:1(9Z)/0:0) 9912.950304 2311.984283 7997.849097 3639.732221 9657.786554 7368.747754 3874.034088 10016.0139 8021.912723 4.07813e-08 4.07813e-08 509.9721093 4.07813e-08 1640.916435 713.8476156 4.07813e-08 328.9176588 9885.997609 5783.661891 4230.564767 4188.208635 3553.233489 14057.64307 15740.44237 8867.299596 8815.549696 11781.20117 4.07813e-08 4.07813e-08 174.0878118 5.808629784 4.07813e-08 135.9596622 4.07813e-08 1184.790242 565.8591737 296.1348112 4665.818249 4103.823502 9296.296664 5917.866319 8914.176147 15569.518 9758.689484 9741.308523 18153.11532 3401.910192 6696.204744 3388.271942 3607.878254 2267.012362 5169.197782 357.9927011 4517.055809 3-methyl-tridecanedioic acid 5176.58716 5908.925193 6476.659623 5899.62709 5724.472056 5068.269375 4773.269667 4142.800623 5484.340621 3784.409791 3604.782895 3437.336336 3879.045736 2845.440148 2610.290731 5487.221234 1186.549465 3312.36413 2162.321274 2072.06736 2265.68927 2958.168345 1566.865915 1527.663708 3084.846662 3532.328196 2675.074654 1982.345182 5030.575333 4838.813955 4960.160758 3069.526026 3713.495941 3413.790941 4128.984737 5084.772344 3592.469651 2489.295026 2908.402434 1760.429801 1061.638124 2268.631197 2419.613906 3186.525224 2806.311083 2496.229268 3977.581126 3410.915239 3387.916322 3190.162981 1723.695857 3515.730503 5206.180631 4919.689306 3beta-Allotetrahydrocortisol 2568.750761 2490.152345 2365.281657 1848.891366 2675.768276 1902.708012 2457.199443 1594.88271 860.8812438 3327.175942 6436.68483 4005.17825 3170.585156 7543.265698 5413.625017 5245.150991 4315.789602 5707.479083 2052.23844 2237.220348 1676.736521 2260.123507 2694.916957 2909.751593 2015.091388 2204.380135 2236.549549 504.0291744 2938.920222 4024.641064 2464.511051 6291.958772 3355.804492 3862.860342 3194.312297 3198.084442 1459.354072 1866.889179 1705.010683 1863.935705 2565.093941 1933.431552 3277.437731 2198.503876 2925.615027 1918.206011 1939.807858 1429.741434 817.0430527 793.7688968 4850.34063 1412.050904 5335.831702 1332.29618 11-Dehydrocorticosterone 1631.125657 2995.75846 910.6484462 1141.514511 1054.738917 972.9774488 1502.97365 273.4433381 694.3392495 2428.640954 2442.196401 1295.412311 3344.704981 1572.198281 2127.842934 1018.226615 783.9806319 317.1275801 382.8868342 63.05050501 1401.974562 238.8777173 226.1973934 100.1766826 1299.352308 1923.999557 645.2220946 2004.497492 2092.462953 776.9244894 1481.385773 2402.295761 1794.582268 2872.859112 722.482236 939.818519 6236.791254 1058.223465 1265.754581 4.07813e-08 933.0195953 1259.211726 10.68672451 1608.622064 1385.445337 0.617030645 4.07813e-08 187.1690532 2229.562229 2731.122343 3781.100063 528.8059644 2411.019023 707.9144796 calcitetrol 19466.33341 12911.01259 18622.12768 32804.06464 32002.23398 24344.67247 25337.21909 22536.13802 13470.43567 3888.800558 3937.589568 17045.78994 3559.568697 16317.30988 24983.77239 15835.25159 49790.80604 19528.49152 23095.25111 12681.24728 21271.55216 37044.58402 28160.42973 19686.62055 19637.43851 17284.44038 27676.93598 28651.95988 6447.165153 13537.7553 9002.89333 9666.606543 10660.40586 8539.164228 22044.45555 6899.05467 38014.82952 19053.29335 24213.37635 43950.32338 41253.80372 27640.72894 19560.99082 14162.41448 19281.06923 42637.10672 24170.70388 37519.8792 33630.25004 18457.77944 5136.286215 21605.16345 2324.283323 20039.29997 (-)-Solavetivone 1069.397526 134.6116913 434.1873092 12.21950391 194.4408438 1722.835948 2300.484307 950.4919138 118.7658861 244.5115973 71.21266057 81.30373571 426.537831 110.820141 220.3673835 128.6627966 558.4286299 103.4441761 256.1878904 93.37126624 652.3373581 835.7123033 630.7676064 842.0111953 517.1083688 279.6380752 148.4134481 152.01288 111.503475 178.741391 116.6569284 205.1126823 99.97670739 440.9795084 98.77941023 198.1836404 2128.968304 622.8916967 979.0177123 570.3052869 1010.3194 616.1717496 502.6862339 155.9225155 35.02056666 242.637902 347.0886803 1164.498702 517.1080256 235.2960895 687.6543292 396.253475 305.6484257 1056.84343 5-(14-Nonadecenyl)-1,3-benzenediol 21221.13466 17818.82137 12601.05457 14629.08807 13918.45469 9233.981547 17945.81904 27915.43007 21537.42191 5598.098814 5444.471788 8510.485869 5835.645011 8299.677859 15770.71758 4706.07354 13118.0696 18479.82595 12666.06124 9220.414061 11313.70538 19966.21444 12409.56361 8792.685005 20548.65754 9122.262862 8174.84472 13670.56596 8159.809424 5530.696314 5774.440862 11734.87277 8354.332046 9340.227712 11462.0108 3229.535793 23155.20699 12747.09098 13006.59457 22313.05357 20013.42897 13529.01191 8461.803544 8335.051565 13743.40555 11293.36224 11527.88035 14896.07993 16616.36634 21270.24413 15581.35639 13304.35452 3499.509969 9350.202676 2,15,16-trihydroxy palmitic acid 10711.13861 7979.189773 11088.51649 11338.42119 7798.288631 6764.046945 5456.16527 4855.402333 5636.100349 2278.084479 1678.398257 1484.986187 1899.690494 1269.756502 1127.280808 2433.715854 565.3415059 2741.347172 17773.18793 3658.059463 8504.538565 5883.035922 18546.80796 16256.14966 8020.984852 4215.352526 3179.104105 1171.60452 2098.910823 2442.390004 2698.817391 1412.356477 2200.911465 2088.73071 3442.332127 2238.031303 2626.07879 7217.572166 8697.40783 4918.368851 4654.73458 18062.44915 15731.10584 4049.464198 16341.82238 2183.709138 2473.714186 1870.974624 5578.755557 4441.227965 1641.127602 8629.855835 2766.266427 17024.63413 2,4-Undecadiene-8,10-diynoic acid isobutylamide 3605.000276 2420.900413 3662.181296 4924.197312 3948.905833 6129.232967 3951.468946 3602.350692 1064.347149 404.9299556 276.9589378 67.7023545 265.903341 4.07813e-08 54.61846049 370.2412203 4.07813e-08 605.9939235 2889.454395 3946.531748 1762.448375 1909.89558 2669.459658 3278.6429 2720.526823 1317.192892 1396.957313 4.07813e-08 224.5081312 1093.193612 279.2433523 652.5421427 381.7154535 303.8621604 116.5751591 509.7144234 2247.475388 2703.435294 2200.240982 2389.023461 3279.962263 2849.302262 3967.253796 1495.893108 936.7374009 5265.580911 1610.563432 4201.105021 2222.005005 1333.131423 474.0379817 3231.063604 634.5603776 6184.597047 Piperonyl butoxide 5103.090352 6418.845357 4939.837314 5514.866124 6133.507108 5199.023027 6555.4599 3411.980807 3549.380601 1719.925093 2379.593959 968.4749935 1776.660404 2485.606114 2610.611593 1447.752817 4.07813e-08 1629.842767 7429.664004 7623.60039 4759.744094 6298.604755 5635.692081 7477.925132 6036.996345 5029.827686 4767.800657 4.07813e-08 1296.06704 1622.010461 1314.561813 4532.588886 952.646937 1039.037152 204.0358815 898.4716124 4660.005436 6412.592129 3939.426614 4842.868454 5445.927031 4913.016102 5566.459693 4398.593297 5078.637311 6765.235365 4982.95415 5464.369782 3956.37219 2990.298237 2532.403717 5297.260117 973.1427785 4860.263918 16-phenyl tetranor Prostaglandin E1 4333.116178 3406.253253 4829.478746 2206.788721 5123.87151 5047.282067 5271.281725 3965.956114 4753.166371 1765.537428 1437.571852 828.3846933 2579.757038 1497.654281 1833.320274 381.3974995 3561.116946 2519.811751 9895.563468 9395.577324 7640.34538 8234.075337 10371.8915 11058.39466 7281.329584 9231.258264 9000.324595 1782.929238 2095.476459 3594.559322 4238.645746 5138.477804 1385.37098 3443.437062 1016.914821 4208.99589 6395.668853 9179.126877 6326.883254 8215.395031 9561.737115 8238.157397 9080.094365 7897.051349 11049.67303 6491.166816 6240.822301 7242.482612 5277.496848 4178.483564 3629.645781 7379.835036 2769.305174 6724.768346 2-(14,15-Epoxyeicosatrienoyl) Glycerol 3624.841795 3608.38498 5547.585607 1897.916842 4694.592932 690.9298746 2383.92676 3402.151504 6821.521523 426.2701137 4.07813e-08 1.513996081 99.04220248 1682.022476 4.07813e-08 298.6678298 8.597835749 4567.863857 759.7341571 6401.776384 2753.780558 3544.30879 828.2895437 810.055678 1853.307975 8970.890955 1574.544836 13.77344323 90.78992111 7.35307487 4.07813e-08 95.7324204 4.07813e-08 15.45549729 13.95698381 224.6547311 1382.06626 1560.27287 3089.001985 3550.445848 3318.057454 550.2692364 994.1694103 6882.270875 2391.032536 5914.06587 4762.04278 2572.388352 2305.946659 1837.777087 873.4515891 2284.117172 4.07813e-08 1557.814876 Hydroxyisonobilin 930.7302648 1237.792511 2744.916622 2621.267592 1488.964185 3521.583285 2843.755 1929.918908 1343.627785 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113.1948704 749.9997094 4.07813e-08 4.07813e-08 4.07813e-08 2926.346789 3625.649588 2782.694828 5071.570899 3674.371921 5452.190761 2917.671296 4077.207981 4285.804229 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 114.011299 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3225.699627 3001.453387 4214.227762 4060.389327 3815.85116 4328.024777 3691.911218 3283.413241 4401.10931 3923.317627 1415.596672 4267.762342 3246.985431 1699.649832 4.07813e-08 2165.254321 4.07813e-08 4415.47001 PG(20:0/0:0) 2360.196159 1684.635163 406.6018021 1191.285172 939.4038802 720.8459619 1121.321654 10643.60372 3191.327069 4433.122132 5566.729134 3860.597261 1593.839018 12815.34849 4849.864355 944.8458818 7764.522177 21043.39136 4.07813e-08 432.7957718 4.07813e-08 556.1484722 1252.879808 427.6395855 1129.590676 1370.183961 225.3087751 1858.338002 3850.706632 2854.502594 979.3336529 15257.32228 1304.979181 2037.544538 2124.523184 828.6537616 3173.076743 1349.242848 4.07813e-08 389.1510405 1695.9205 1762.992657 1109.545857 1413.375987 3084.071473 124.7383729 700.3286267 616.7893629 6974.274862 5026.46792 7605.065664 2943.280406 1607.675812 195.7208351 17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate 435.7645526 2548.484646 816.3727872 2702.691445 632.0135596 1171.791387 1493.160227 926.9744369 256.0890458 6446.802449 5474.541805 8435.146615 6407.059388 11650.77694 7193.391575 6202.486191 10744.25254 3793.735314 143.3225431 618.8399237 1093.692014 1117.62545 392.6422619 309.8423401 1820.211091 937.8577652 242.1295696 10404.16684 9904.191307 10307.77766 11448.52995 15480.04444 9177.918848 8153.551571 9185.587844 8571.486139 6073.161539 567.5173639 1049.1202 271.8758953 264.0645748 0.63935404 343.3440574 155.7830956 2223.689334 240.3891859 147.4434144 549.4967687 2452.679294 1919.447653 14125.03933 499.1873877 14255.12658 1405.869222 Esculentic acid (Phytolacca) 2554.798582 1760.627423 1270.653748 2721.520814 2663.749627 2707.520515 3556.63972 3818.105953 3255.392566 4.07813e-08 4.07813e-08 153.2579214 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 807.4030983 4.07813e-08 7053.458186 5907.552776 5260.4173 6571.568644 3989.955848 7181.746419 3516.043503 6995.30562 5234.781242 4.07813e-08 4.07813e-08 566.3893475 4.07813e-08 375.4046987 4.07813e-08 4.07813e-08 220.3290788 147.0456854 2672.279258 3165.011848 3263.934323 6163.716267 7808.567752 4118.291713 6159.393488 6398.05041 5608.716619 7222.551823 4949.645292 3856.442034 2694.013624 1403.534424 630.9563257 4511.950332 1360.559892 3381.668133 1-O-(2R-hydroxy-docosanyl)-sn-glycerol 4.07813e-08 4.07813e-08 4.07813e-08 1554.480156 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3180.990787 2873.780078 1861.415971 2940.203136 2531.412769 3200.775664 953.4273199 3238.091273 4.07813e-08 4.07813e-08 4.07813e-08 136.9096307 1789.08127 260.0235925 359.6765238 4.07813e-08 4.07813e-08 541.723135 2705.389 2565.776572 2598.549467 3583.183372 4910.750775 2828.30872 4396.715831 3780.66782 1270.92599 138.0831156 4.07813e-08 4.07813e-08 491.3364596 439.9595464 4.07813e-08 159.9385921 4.07813e-08 182.3539548 199.9628382 348.2849364 129.192921 4.07813e-08 4.07813e-08 3259.366167 281.6055355 5342.058749 395.2154024 Nonanoylcarnitine 11392.8678 10540.42917 11610.16496 10896.2868 10767.67828 8409.094407 10075.24791 10237.6632 9572.203573 6996.465171 7228.516922 5642.141901 6652.322815 6703.609689 3682.221205 9263.841901 5701.687326 6392.101015 6277.342474 7358.546932 6228.520047 7198.388742 7282.194479 6994.61667 8543.808821 8834.178454 9082.35399 5595.915699 7273.000213 8614.22165 8064.320477 7136.557037 7881.335736 6396.207068 7371.775296 7765.951528 7890.570532 8024.179549 7008.291849 5753.083577 6731.200359 7953.606817 7544.902653 8996.988074 9531.863883 8357.882996 6601.378625 7912.568516 7235.954827 8918.961384 5845.687878 8469.875659 8337.385097 10744.06161 17-Hydroxy-E4-neuroprostane 26404.68135 19149.3179 21495.34262 15175.50333 16013.20895 29769.55839 23018.70557 17051.52231 20252.07844 5386.591958 4585.632663 1178.200235 6165.423041 1557.611866 2624.601039 1316.312369 3051.432391 3428.131833 40208.65568 38563.37288 29220.60836 36038.95307 34489.98466 34642.83724 27052.27111 22208.99416 26722.05131 1221.180512 4228.283804 2023.326292 2421.252106 7064.160797 2551.366965 4271.899067 419.7907628 1278.377339 30986.04875 32303.96263 32367.17529 28555.36041 31240.53069 36042.39683 31777.74844 23918.7411 30027.57068 34063.60076 41493.50975 38285.64898 30722.92459 18442.22208 7039.925788 45660.90026 3377.757765 26489.91912 Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl-, 17-acetate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 200.752475 4.07813e-08 978.8224236 946.8741703 3037.316827 1237.192896 3510.764242 1111.73754 794.0567465 4074.831592 6383.074585 4.07813e-08 4.07813e-08 4.07813e-08 179.9479915 4.07813e-08 76.55686082 4.07813e-08 4.07813e-08 4.07813e-08 7412.756749 8101.070951 5538.461246 6212.313619 11949.5551 4050.674662 5041.260782 7824.699524 3822.384711 174.4617448 4.07813e-08 4.07813e-08 4.07813e-08 21.55154323 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25.59182112 150.664807 4.07813e-08 4.07813e-08 10741.66609 4.07813e-08 2481.005573 4.07813e-08 15(S)-HpEDE 5316.384629 5145.08926 7754.451118 10420.18167 9099.884804 9623.980553 10144.38138 6486.065837 7475.551039 2179.552703 2559.948251 2292.547578 1752.129203 2996.212171 2322.212098 3017.919687 1245.714048 3725.804303 5219.259214 6456.253098 5179.201957 6251.155127 10014.18726 8329.908953 9207.217525 5753.126074 9235.018365 1421.2731 2543.629803 3779.529048 2486.47959 2717.779925 2485.148038 2046.330744 2063.219064 2443.126394 4401.981191 5064.894893 4850.763416 6584.278023 6496.671643 7914.130744 8479.775327 5352.446377 6389.857132 8458.109823 6448.154389 5708.500275 5051.376017 4645.443692 1475.972665 5861.818992 2752.47843 7707.291524 Houttuynin 992.3501723 830.5719955 1159.030819 1073.401792 1259.612777 820.0346955 964.0431849 952.000266 645.9786923 489.3051803 468.7816753 607.3246778 339.2662163 451.0175874 456.3837008 616.7696144 251.8392851 369.3164151 498.7998934 436.9261357 659.1947844 599.7139366 507.0697162 502.4393282 629.7264709 661.5937036 503.3425059 414.9046464 822.0694357 695.504881 700.2556697 504.218012 493.5981608 406.7598586 661.9556423 565.0681606 746.5192748 704.6199281 1034.770953 479.2153753 524.0491586 403.2621279 506.1534198 653.8542967 847.0103779 737.5949264 402.2051856 439.1374176 786.1235488 470.6013138 382.0046078 458.9354006 812.8579399 847.8146543 (+)-Scalarin 12204.28434 7040.202346 11452.26912 12555.23404 13559.07188 13823.42407 10124.0781 15667.88908 9806.723459 4.07813e-08 8.370101717 4.07813e-08 4.01987605 260.073474 321.1723354 4.07813e-08 123.8231677 495.7801147 2435.954361 3359.156073 2239.40744 8154.573511 4923.001632 5048.887747 3437.560826 4359.00129 3853.621208 2.347840813 4.07813e-08 4.07813e-08 114.4198979 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.670210002 5017.185724 1464.633127 1230.202209 5080.205179 7175.371846 4300.21824 5539.816318 3302.388746 2878.103105 3139.84008 5309.87341 2088.579928 2293.768498 915.5857091 4.07813e-08 2900.576345 145.3357629 15357.53265 13'-Carboxy-gamma-tocotrienol 11834.74899 13070.00984 13504.13608 5658.537368 13771.98474 12347.87241 10993.6183 6131.366785 24072.66059 9135.323146 5218.28412 247.2213281 5515.925934 576.4842243 1202.158537 4.07813e-08 3279.475341 6841.25384 4557.152993 3103.83654 1161.933131 2580.154003 1243.244886 3663.384953 681.106468 1970.988582 394.9680739 4.07813e-08 228.3159752 1020.100805 112.7698452 286.682636 136.6809927 4.07813e-08 253.4633736 4.07813e-08 975.4962592 861.3209796 1074.010743 1694.28633 1851.137158 993.2922907 1301.259877 1584.119342 1969.737237 343.1803007 2133.236356 242.8809514 262.4607057 4.07813e-08 871.3187428 507.5922752 156.6657588 190.2448855 9S,10S,11R-trihydroxy-12Z-octadecenoic acid 35655.51135 27734.27653 23672.16683 27430.50437 27520.74485 35810.06375 32190.95769 19989.64802 29933.85671 2958.425798 1479.85372 2702.075078 2270.382365 2478.577968 3240.426977 1755.478837 2788.915621 3861.990986 32699.32716 28818.83424 33865.46296 38214.59899 38447.18976 48398.15537 26446.9925 21343.74144 14957.80373 772.5433271 2394.361403 1641.678837 1667.77535 1801.865295 912.287331 3540.521799 1724.531653 2904.149598 20650.46287 31522.56987 27391.72767 20949.3754 33364.99598 25678.04022 42757.36644 17889.36823 19138.30996 24209.92953 16186.90543 27423.37849 23168.44394 18429.19517 3234.200971 28138.77364 4004.294375 29186.41467 7-Drimene-11,12,14-triol 35505.64763 34671.8263 36793.08387 33860.02431 35104.84783 30121.68476 28564.91847 29800.78988 32802.54846 23488.07711 20403.37257 20582.26952 22338.61772 23726.81929 18923.2207 29233.96863 21518.78194 25976.7492 21772.09435 23818.59823 21856.13582 24493.92071 22621.7816 22486.56842 28631.10588 27533.71106 26406.66264 21349.56706 23184.99929 26802.84816 25029.13767 21753.71739 26754.59008 20535.97339 24101.07057 28676.49033 26972.67418 23135.5743 24561.97716 21474.13032 24651.19028 24526.04448 23591.38974 32111.08358 25801.28976 26937.63654 25454.30082 23469.57648 26561.4565 26218.28861 21964.12278 27537.79208 27147.05869 33058.62107 (+/-)-Dihydrofarnesol 5933.709705 5744.755512 6289.32512 6483.263897 5962.838044 4913.550813 4225.887247 5906.168877 5405.270913 4090.219719 3132.334105 3118.358753 3870.998426 4417.06208 2555.432568 5560.89909 3727.191147 4710.405303 3565.940445 3603.289376 3542.114367 4097.309052 3671.456577 3634.714279 5648.952566 4853.572349 5100.064476 3631.82902 3996.650491 4612.877689 4258.674452 3350.541757 5387.928714 3394.262577 4538.392458 5005.371829 4611.88867 3521.627107 3491.090274 3779.751519 4635.320008 4510.915435 4157.24833 5384.632662 4764.935602 3601.061956 4224.070602 3698.527468 4821.472429 5529.387598 4055.61471 4033.679693 4793.599082 5327.848539 1-(p-Fluorophenyl) piperazine 4.07813e-08 1862.778694 4.07813e-08 138.4899446 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 189.0290441 970.6277469 1488.67721 496.169605 3023.217349 2752.274541 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1105.661725 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 464.351598 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4903.181246 333.1420005 1368.249401 4380.518819 222.0290552 555.5939861 19450.96674 4101.549362 2-(7'-Methylthio)heptylmalic acid 5092.604213 12815.09989 13619.58539 22448.69211 25765.74189 14744.27869 7276.115584 1516.23601 138.5923533 4355.440505 5282.604048 5778.189721 3550.727179 4109.393112 1088.724992 5899.615696 2644.127014 4010.480328 6854.457363 6202.007267 5831.185304 7059.88766 10616.07769 6635.076097 7560.48537 9507.278112 10511.75965 0.001830088 3247.748053 8163.337709 3348.092728 2512.069758 5679.992327 2755.874673 3837.30364 7082.22234 3073.162513 6572.193695 5758.206924 5974.236096 5396.291931 6536.789329 9721.81169 9233.796599 13565.9766 2597.561819 1364.020391 2662.210066 2330.137912 2398.117917 768.3797974 2539.38143 4749.122405 5787.592084 YM-53601 46850.26649 64451.20159 50211.78205 55682.99318 45649.80641 35278.1957 40489.99885 40800.42669 51150.64364 184889.9753 160037.0579 139821.5995 187700.645 104376.9875 175920.8598 84104.39541 73523.08888 141477.233 79546.85592 31929.06325 70135.65532 66289.24078 48135.17294 29409.49644 54799.45691 75018.58169 60418.43706 220822.2946 177992.549 152404.3777 132695.0822 252763.7366 172185.9266 226414.6824 95073.19115 132256.7929 97392.27976 54662.98621 66402.09119 60922.66492 50208.39357 52145.22792 25431.53639 79254.36117 56585.57856 29548.81195 29273.56518 48813.90244 67018.24762 80218.62456 275045.9042 49109.12817 165341.8858 35672.76861 N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine 560.1782217 906.0666346 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2184.912985 1020.028408 46188.43754 45864.56768 18118.73072 48353.8692 25785.4858 18505.92677 13488.94841 38159.89442 31945.40255 1329.818203 63.31010997 943.4273503 529.5883343 871.1902932 2233.651261 825.1785411 816.014874 1132.437741 15685.74781 33735.80041 34874.31993 22608.84106 44132.91278 23450.46462 21894.4029 12591.32255 20741.33491 766.8838126 655.6354102 0.056325855 913.5378804 4.07813e-08 1536.666223 2019.272747 1681.755789 2439.326711 1190.610039 4.07813e-08 4.07813e-08 832.4893297 724.2955473 42500.00304 3.80249203 30547.60588 931.1266882 1-(2-Thienyl)-1-butanone 557.642705 657.9508784 1093.999426 1329.597353 1148.993514 141.443128 151.1388249 211.8300045 1004.373493 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 406.9563089 685.8457124 682.704874 343.7853473 598.1704143 170.2115359 586.5214527 172.4581484 267.8196008 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 332.6287793 830.1754167 4.07813e-08 161.5521206 162.9154636 253.1079642 711.5426272 272.0358074 44.81890842 597.9402577 132.9090515 4.07813e-08 696.2053779 4.07813e-08 4.07813e-08 550.8299725 4.07813e-08 1142.837315 Diethylcarbamazine 1952.206518 1739.715356 1950.509672 2111.687759 1845.949982 906.4137897 1470.590428 880.3311832 1406.893895 1888.748783 1424.249039 1164.06388 1810.229955 1515.825082 1803.974308 1782.521445 1768.757833 1465.721381 1130.760676 1300.433128 591.3747128 1138.772688 762.465541 1085.49415 594.2519365 1242.1711 1623.943749 731.0381808 1569.123748 1877.08857 1140.133151 1292.118128 1146.463828 994.5857955 1848.320708 2158.780496 1641.372945 1231.677449 1021.880217 994.5010396 985.6933912 1062.478615 1043.324632 1648.936537 1691.671157 1114.305246 1581.667244 520.5066102 309.4002112 1021.673666 1271.378798 1755.933444 1455.27042 1442.624739 (+/-)-1-Phenylethylmercaptan 1520.786768 361.0196758 628.7049991 413.7023301 698.7346952 791.0704215 1529.069158 277.8220318 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 124.8153751 4.07813e-08 4.07813e-08 8187.023653 9480.120237 1745.473096 7574.441125 9355.870982 6976.005254 10431.94679 9932.923775 9033.741293 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5269.837859 6316.699913 2528.25502 8012.289121 5804.585568 11337.57305 8196.782841 9167.042316 9669.770231 7470.849059 6193.040769 7102.01893 5830.699566 2714.457566 4.07813e-08 5690.306722 4.07813e-08 5839.61786 Cyflufenamid 4051.382941 1049.698258 3406.134187 2260.837695 4.07813e-08 4.07813e-08 330.003497 4.07813e-08 4.07813e-08 9930.797141 57708.97436 4833.337692 7933.024503 8956.726908 28090.53611 8539.846432 71182.73396 7581.860597 4.07813e-08 4.07813e-08 2657.518506 2940.958942 4.07813e-08 4.07813e-08 1611.633558 705.5286236 4.07813e-08 29838.33344 10450.02352 40820.4424 8349.81144 39832.1162 17558.55292 11084.79183 80464.49723 9769.806294 1383.038784 4.07813e-08 1248.234474 4.07813e-08 850.103048 4.07813e-08 4.07813e-08 473.3494323 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2875.265651 5594.039848 11865.18417 1211.541302 9762.292267 4.07813e-08 Asparaginyl-Glutamate 7394.91341 5184.60201 8165.252271 11838.4383 16752.90474 5571.27043 9313.085671 7040.24708 4324.92958 8594.06886 5006.081563 5246.861876 7245.076256 2893.711533 2693.155436 4800.872003 2942.250637 1065.683673 8591.038303 9976.908356 4360.865199 11341.60352 22141.86951 13828.48002 17152.18308 6406.92697 9415.732979 4989.445553 6105.679958 8370.647231 5330.952941 8614.844478 5912.11052 10572.21045 3504.242305 6467.16593 20924.04195 6569.46773 3433.454502 8284.725677 10558.48756 26712.85876 18491.61891 12358.72924 12134.96163 12998.88087 6262.880847 6626.90749 9838.195765 9728.452249 5572.339603 7633.656544 5935.190101 13313.12379 Kenposide B 3455.225021 17871.84376 1374.066088 2553.239672 1855.644765 3852.340812 7054.434623 8369.536063 7143.786606 64924.38408 44453.22175 56782.73943 69788.4569 46613.4094 41639.36543 19982.14829 12327.08842 29461.80405 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4612.234514 4.07813e-08 44391.48753 38832.56557 27947.69215 28342.48788 31240.97583 50259.24338 49219.11099 21591.87053 25924.59231 2795.16472 2863.966388 288.2461526 1813.280749 4.07813e-08 102.5094267 4.07813e-08 10818.36135 895.1709825 4.07813e-08 19646.62382 2937.090167 12422.0654 110333.8807 53342.35836 7276.511403 92454.11471 7916.882834 Kaempferol 469.0416564 1806.055168 1553.822198 275.8674096 2031.015074 1631.711762 501.2353639 1489.491075 2329.299854 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 916.3588274 4.07813e-08 197.1681117 4.07813e-08 4.07813e-08 1478.607573 2476.429855 1055.958618 1398.303725 421.3944073 2087.480809 1159.722933 5590.319793 5399.948693 843.1896504 1282.768811 672.3648328 1989.868962 1704.412456 335.3404423 229.6366874 1564.106212 1974.08897 4.07813e-08 1318.437308 1563.959332 2037.660672 2150.031411 1202.94708 1566.052284 7163.235518 1145.768109 1319.267035 1342.01033 1125.758632 2101.989779 261.950861 629.7325166 1472.940406 671.2609477 1984.059345 2-Amino-4-hydroxy-6-(hydroxymethyl)-7,8-dihydropteridine 1276.79773 1634.618875 1271.511106 1840.244406 1782.479673 1386.219731 976.6000583 1266.398477 951.3935881 2225.670939 2174.825494 1439.009414 2265.846844 1666.256956 1413.398257 1243.322362 878.6584683 1190.136216 1784.293149 1945.051991 1920.345026 2276.424591 2544.837776 2347.189561 1838.804826 1817.280949 1240.911526 1264.242701 1538.030756 1932.12804 1249.555404 1923.182219 1705.6574 2261.230102 1124.185959 1099.917276 1541.976744 1808.939775 1821.598676 1324.847813 2138.007712 2305.907727 1921.612848 1470.166418 2250.071634 1012.505231 1099.445913 1343.76383 1376.705807 953.4974476 1505.93659 1410.132887 1572.721078 1369.338004 Rotigotine 192.9395161 2823.999978 1165.66721 960.3244839 302.7185405 471.4488621 2475.604406 1450.2517 2837.221433 14846.84644 11665.01632 11151.55557 16583.21439 10773.36016 9611.012376 8463.404308 8137.806341 13312.34346 4.07813e-08 160.1413617 167.422 5.067016712 103.3477796 112.267301 4.07813e-08 240.5825086 4.07813e-08 12139.88852 13796.85252 17848.84543 10797.42284 14457.76577 8596.304836 13566.46688 6600.418482 14567.50248 4.07813e-08 4.07813e-08 4.07813e-08 98.26065189 4.07813e-08 4.07813e-08 4.07813e-08 149.2527219 4.07813e-08 118.1232838 629.0019767 207.4050514 1849.407462 3427.533386 14864.02719 965.0920161 8625.696891 125.0582714 Auberganol 16330.39286 14681.9565 15611.64285 14969.94671 14008.65556 12320.14677 12212.66435 15178.88697 15521.34327 9771.947472 8345.518091 7699.21323 8840.30999 8803.169699 7498.970208 14515.35214 9474.576432 10360.66306 9175.663727 9972.992227 9444.508929 9965.451322 9133.00006 8722.074197 12982.98097 13543.20452 12677.23677 8361.774836 9109.492261 9669.276933 10660.16787 8903.757414 11080.3082 9012.158011 10173.58415 11334.53604 11981.69375 9638.238644 10652.50371 8731.578707 11033.88705 11246.441 10597.72474 12993.38716 11162.09685 10923.27979 9487.695748 10068.9359 12454.23043 12865.00547 9038.256104 10688.22097 10910.03947 13514.44192 (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside 3483.901993 8403.148664 48072.72605 22819.77663 40004.83747 147566.6106 84659.60177 66296.90938 63225.23901 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49830.40124 139258.2307 100567.3119 92429.97038 104124.4218 145349.1647 81540.73847 18119.42793 773.8766929 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37221.49324 41491.22074 47364.61887 84644.74381 142613.8397 36797.41592 130340.8378 11544.28036 4.07813e-08 241594.5676 124922.7798 180727.3288 47714.38777 46078.1722 27897.65073 103230.6782 4.07813e-08 56651.09091 3-hydroxydodecanoylcarnitine 5320.87835 4660.411314 5405.167756 4421.540084 5954.61843 5831.218097 3528.5463 5406.786999 5719.865057 2695.296254 2380.361769 2115.386658 2800.864712 2639.360322 2802.407335 2871.043796 2448.247046 3553.490785 5782.24749 4004.142862 5033.812616 4616.973901 3581.842462 4285.283742 4306.559483 4146.211716 5044.791559 2367.971403 2805.222547 2360.423265 3019.047171 2305.196055 3453.554994 2626.778364 2796.130534 3422.928112 4619.492006 2683.32458 4856.614867 3988.180225 6262.369488 3787.459029 3787.964775 3425.015501 4992.362205 5419.048745 5395.564021 3955.88444 5366.580775 3359.026738 2486.40935 5774.666953 2491.76609 3582.161333 F4-Neuroprostane (7-series) 1459.25611 687.0222668 1635.564332 670.5776311 860.5138749 8125.858155 5297.252551 523.1332549 2168.681684 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12057.21065 18183.59786 12803.77243 12360.16598 19551.94597 31382.36506 7691.890693 3613.118475 3301.469338 4.07813e-08 4.07813e-08 129.2211409 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2764.919206 9595.587193 5872.020368 12721.00054 14045.16165 11453.71305 24773.57699 3211.666651 7097.757539 19140.65021 9378.134129 12400.39634 1730.662558 524.577489 4.07813e-08 7163.605147 4.07813e-08 5145.517825 Rimantadine 203.1520358 1294.853357 808.9074822 642.5573052 1060.480548 1049.456381 603.3564427 1572.223 1158.337993 3679.503191 5424.176451 6686.93538 3076.192074 6504.14292 10886.0561 36765.83034 29716.02546 7591.531508 905.6701193 359.9849225 683.0564268 684.6360569 384.5292191 649.1065397 817.0400882 6968.157254 1164.002524 10966.60797 2596.708914 5593.276704 5005.30417 3078.451714 7248.550475 4577.394958 25908.79829 6068.352553 637.0429064 635.7802844 871.7075714 785.6502832 552.7369664 792.7945841 463.4995156 5309.296984 1398.165963 420.3565716 767.1792266 895.2238439 1327.192666 955.2876289 3294.826764 681.7578354 6531.380253 1221.120265 (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol 2250.416706 1573.944078 3074.057653 3811.630168 8562.195983 6905.852857 1751.862077 2700.278618 2262.399619 4.07813e-08 167.6350915 4.07813e-08 101.2295847 958.4750073 4.07813e-08 560.9879156 7211.27785 4.07813e-08 3036.629263 1287.727911 1446.815288 1816.114131 3375.914083 4048.559059 4.07813e-08 1300.897615 130.9577718 4.07813e-08 4.07813e-08 1277.271941 4.07813e-08 766.2584504 119.1229388 4.07813e-08 1386.070142 4.07813e-08 2217.215652 890.2127902 1606.087407 864.5269442 2796.295017 2940.233352 2740.725829 973.5571366 4.07813e-08 4437.753371 6877.395021 1902.752455 1403.93806 4.07813e-08 4.07813e-08 1899.598166 151.016009 1456.152814 PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 224.8460759 3284.116917 10532.75486 5689.846704 11290.67001 16364.25462 9112.766726 14758.90439 14058.66007 4.07813e-08 4.07813e-08 223.6736093 115.5556614 361.8631675 1098.400343 4.07813e-08 1647.597391 41.0967001 17560.83761 11859.71975 16006.63862 7234.515668 9717.067989 7000.966377 10840.90559 3562.591081 2726.957678 238.3920646 143.192021 4.07813e-08 1431.156087 689.5835201 121.2739353 882.3995779 962.8473069 168.1903106 9446.73772 1115.617196 11169.47992 9388.529673 12803.43801 11095.64626 8401.416676 2203.606581 906.9805672 46133.95864 19792.38977 15261.81803 12868.79306 3220.021331 3875.137527 21261.20293 4.07813e-08 12957.56944 (2R,6S,7S,10Z)-beta-Santala-3(15),10-dien-12-ol 380.2166355 623.369525 401.851879 345.3654649 529.9179391 367.8301698 479.1478617 304.6387246 263.1272947 201.5233118 389.6675595 213.8071249 321.9654231 327.2522082 250.3659488 367.1699628 229.362241 117.627415 121.839759 343.4415143 415.8464735 210.2435746 255.343415 51.22036385 173.5673309 131.1941016 509.8551517 177.9446425 421.0382054 306.1083447 479.6785989 326.6211749 292.67381 310.1302422 354.4219224 276.3605792 449.297366 292.4138604 426.5239902 113.52659 62.03674376 284.0848144 331.2403135 454.0694703 354.3092127 75.81506509 239.7459976 156.0939526 269.3575841 397.0354224 275.2932469 261.985985 241.9835467 644.8099245 Bufadienolide 8539.726102 9960.305957 30323.86663 10319.16893 15281.68506 48345.0477 14817.98403 11009.11678 11579.51136 0.085865233 87.71473845 0.384420107 85.51657023 1.927640285 4.177432146 562.0459575 4.07813e-08 0.927459303 22713.78805 18812.52998 43065.88913 29279.81952 43208.17645 38771.86826 21774.41807 7515.463048 14926.57301 0.25989544 4.07813e-08 0.608491315 3.061643711 345.3775735 4.07813e-08 93.1981858 337.6197534 2.960366156 12656.40251 9728.755706 30674.7698 37741.43948 18441.77556 40270.52575 33527.78861 7278.149454 19957.07371 64726.51233 34379.95505 26740.73188 13491.51951 11539.64968 4.07813e-08 28562.80572 86.37555813 17082.03464 beta-Boswellic acid 4.07813e-08 4.07813e-08 4.07813e-08 2728.674997 4.07813e-08 4.07813e-08 294.9771366 4.07813e-08 4.07813e-08 2335.217559 5934.839231 2059.931026 1227.903017 4157.228822 2945.58304 2954.034834 11915.21266 180.6615397 4.07813e-08 4.07813e-08 4.07813e-08 2852.795725 4.07813e-08 3312.189851 4.07813e-08 4.07813e-08 360.3753631 3794.735428 384.9840056 7181.174655 4224.065555 10333.24333 2931.455326 2265.708602 5988.3256 3518.218537 4.07813e-08 4.07813e-08 4.07813e-08 662.4414497 3229.627547 4.07813e-08 330.1484971 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2884.121063 4.07813e-08 10670.68418 4.07813e-08 1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol 4.07813e-08 77.8874828 93.54721028 4.07813e-08 4.07813e-08 734.3860599 655.2967982 4.07813e-08 4.07813e-08 67.41495715 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 546.5755181 4.07813e-08 4.07813e-08 233.7691497 662.5265279 705.4148782 1955.724666 1276.058753 1478.163847 4.07813e-08 3404.559012 1135.89169 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86.49058844 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4648.668849 1592.872259 690.2085132 569.7122114 2460.740194 149.3085354 1281.172005 2319.555796 1344.166175 68.96409895 231.0527588 842.335226 226.3764605 101.9902535 134.0396477 126.4742048 4.07813e-08 4.07813e-08 3-methyl-hexadecanedioic acid 5343.506753 4865.823624 4554.886979 4206.518766 4811.617015 4989.018255 4460.086176 4624.996417 5716.8917 1889.895376 1973.072949 1457.608256 1828.119463 1350.878728 1105.530544 2744.997946 1245.436358 1363.805307 4272.574869 4464.751252 4161.932116 3905.005182 4551.903106 5772.343876 4188.398282 5326.886812 6279.83745 2206.439851 1558.249651 2493.067386 2110.653007 1591.264153 2275.378747 1987.465889 2483.651178 1929.335228 5103.625227 3853.847247 4015.466769 4182.26276 3375.786195 4123.928463 6273.746863 4650.950243 3873.857814 5010.152285 3756.372623 3398.095231 4119.75636 3203.847993 1412.549141 4495.775712 3520.992317 4496.135807 24-Oxo-1alpha,23,25-trihydroxyvitamin D3 4.07813e-08 4.07813e-08 4.07813e-08 500.6231194 4.07813e-08 979.0621721 593.2593848 4.07813e-08 4.07813e-08 4.07813e-08 134.0907577 1010.051056 4.07813e-08 499.0151588 9537.969937 749.03535 4.07813e-08 286.5573568 142.4470502 4.07813e-08 4.07813e-08 2601.995839 2393.80372 4591.119285 1044.703428 4.07813e-08 190.1046593 4.07813e-08 4.07813e-08 4.07813e-08 7799.335696 4.07813e-08 4.07813e-08 11555.1082 4.07813e-08 4.07813e-08 154.6754429 749.8915572 141.8644326 841.8732163 1124.508751 255.0131161 2348.424026 4.07813e-08 1753.006422 2836.086061 872.2213561 288.7394963 174.2102981 4.07813e-08 621.5047151 4.07813e-08 358.2273326 4.07813e-08 11-Hydroxyandrosterone 611.1097 4.07813e-08 496.3299015 984.2783321 262.3015994 932.3194434 824.9977805 409.7755741 263.3997988 96.14364994 477.2627627 97.79220166 270.5447756 4.07813e-08 180.1644896 544.0345692 215.8383396 85.61867593 978.7563602 1329.476352 367.3016333 888.8106806 1183.981462 1358.02363 381.1721491 1706.144186 1063.18354 4.07813e-08 190.3878969 194.4164633 72.31825576 215.8547114 4.07813e-08 4.07813e-08 329.7034572 357.1151938 684.4049375 923.8426359 527.4967122 845.9708854 806.0024728 668.0434525 499.3868662 1615.181416 803.9311089 933.3574138 1025.005438 848.2159497 367.033999 115.8542121 200.265257 129.3238081 101.9406096 138.7144955 Patchoulenone 1137.714834 2615.226474 4603.412139 4066.088673 3608.881631 6099.45538 5411.63605 5049.244244 4542.826483 2044.92697 454.3091842 5656.309877 2056.87146 5115.740686 5847.925352 1769.203362 9303.592916 3667.427994 6149.842524 4743.011981 5111.543916 3687.163047 3715.565658 4744.277297 3712.577769 3054.861251 1238.406665 1638.29434 3625.189126 2147.197775 4060.840642 1654.053484 1463.142686 4588.375256 5701.857259 4254.26501 4479.499594 1854.059983 3596.228503 2766.736155 4770.167263 2689.90549 3281.916544 2561.598905 1423.877258 12709.50372 9909.427161 7412.762598 4193.952978 2005.698666 1870.547974 6765.194908 1241.2769 4800.556419 PI(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 5028.888977 51313.77477 125502.591 82626.31517 65573.63078 155807.5563 85547.81513 262173.5736 201964.5897 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 170518.7804 129629.3968 110340.9157 59860.82344 43794.64538 71411.35702 153264.1404 82936.04045 9795.158082 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108983.8652 17305.86253 79844.3604 40076.07822 174854.7272 74177.73829 92285.26771 47273.38205 5373.810868 296955.9945 227849.8071 158829.7374 171211.6269 59035.38871 883.7452127 240914.9265 4.07813e-08 133898.3527 Geranyl 2-methylbutyrate 5633.59985 5486.445281 5149.435472 5147.224794 5655.477823 5110.133052 5199.078126 4561.646442 4765.151614 4439.857084 4521.719722 3223.737484 4049.877959 5032.500194 2714.204661 4646.333953 4374.42819 5156.928999 3315.258249 3829.229952 3659.946788 3844.115001 2554.863848 3912.986382 3492.762934 4712.711028 4948.969519 3229.105155 3149.624545 4035.645788 4346.323145 3249.489555 3801.411479 3546.376488 3887.708579 4802.181933 4219.566649 3952.443162 3926.317772 3192.997289 3156.498927 3991.424196 4584.327284 5005.449149 4520.461424 3459.115476 3787.85273 3570.973145 4420.00461 3827.699917 3696.605049 3401.197881 4852.646372 4451.17285 Vaccenyl carnitine 7359.418642 5883.520404 6518.5877 5910.983285 6019.87549 8151.741393 8466.978577 5179.701385 4917.991696 6513.125883 6097.05148 4685.971503 5870.492392 5733.293076 5428.220626 6021.678046 3388.658763 3387.047969 4755.865961 4796.388328 5705.843534 4454.706813 5328.175928 6051.905829 4318.440168 5881.211539 5005.110807 3763.649047 5331.562725 5802.847368 6566.011831 4985.408348 3520.098106 2018.89746 4949.486073 5746.632212 6972.601142 6628.727591 5979.694033 4970.618539 3018.247495 3445.516368 2870.587003 4752.988709 4606.418998 6651.571611 6016.394742 5726.880634 5116.159087 3913.851496 2865.522933 5034.956803 6490.337745 5866.652484 Demethylphylloquinone 261932.8106 256164.1783 252330.7616 242219.9385 238254.3902 204169.2486 222385.794 231740.7143 242616.839 177668.757 172977.4847 146488.0981 161298.807 162388.5926 131972.5126 215994.2752 141499.2838 168253.9042 168285.7207 170767.0832 164778.2795 165047.3263 149644.8725 161774.9999 186605.0737 202942.3569 191508.6209 144247.4542 169126.5627 189639.1549 174825.031 156994.8204 159578.701 153183.1192 182946.908 197195.36 201145.1981 167905.9169 177733.1834 153896.0305 155828.4479 171316.8329 174767.0826 215940.4477 190451.7953 195699.9946 175531.1421 171406.1093 189754.5788 186946.0126 148737.3153 195206.4942 203513.6422 239774.4003 OG-PE 23346.1561 20909.2073 25375.46853 25986.918 24592.12238 24067.03831 25234.93529 15329.24598 18957.2016 7972.907941 7555.545462 14174.96933 12764.31824 12738.30627 15416.44765 5752.81061 7076.606853 11736.47381 14994.48208 16013.44687 17660.14334 17797.77691 17727.09107 16692.00607 10879.93004 14655.80202 15538.98016 11897.02111 15470.26928 16481.42139 18831.09369 19602.1648 11892.50806 8044.86961 9636.013169 12734.90159 21100.513 19787.19996 21465.38876 17249.75658 12893.71383 15117.10752 11065.23379 14797.22562 16175.81234 19079.39156 21277.74828 21981.60064 14036.69172 11818.55825 10053.56013 13478.12897 13586.0409 20586.85819 2-Heptadecylfuran 18117.52644 19246.40564 16661.99989 18727.50736 17645.37115 14683.30013 16147.51106 16152.38987 14749.77965 11910.9653 12952.88417 10535.45173 12158.91362 15663.46149 11449.17579 13459.81764 10197.89679 14668.29664 11717.47869 12635.33538 11184.84223 14234.42067 12483.63956 12721.54843 14672.88447 12638.50444 16024.51811 11455.35907 13384.98679 13704.44756 15904.20663 13564.61638 9669.449187 9474.622422 16987.03938 15712.56563 14779.3157 13450.61573 13124.99591 12736.0316 11009.82645 8950.364512 11308.95353 15663.25633 12361.86939 15096.65748 13367.38992 15028.0588 14471.24645 13161.39968 9835.854975 15168.41209 15888.72728 15022.51649 Glenvastatin 1657.314896 11537.32436 1057.45506 3423.565789 849.3775022 3459.975109 14464.63878 9110.719433 9713.191064 6467.661885 30187.84388 776.3285328 5885.56838 805.2819874 4115.787272 6739.199999 1474.168029 6534.436686 125.2855727 109.5026897 111.8024977 25.06872248 34.74426573 72.8105011 50.98861024 256.6522446 61.61084887 25202.02333 9605.437921 12145.29045 16807.57977 33661.81303 13728.92377 21832.43267 4795.20133 36588.94766 548.6297846 92.64843273 356.4694982 80.21615824 35.37303565 12.93094927 56.84556886 223.0429335 4.07813e-08 50.78072567 953.0043472 2243.24563 8092.03819 9126.128853 7031.712961 5310.758024 15178.38422 7114.482448 Tetrahydrofolic acid 4.07813e-08 196.3009762 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34971.40946 22195.86588 14556.96304 40648.08584 9516.941218 15105.63109 10515.55154 10947.11036 24469.35869 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24037.78593 18588.47088 22639.35125 10593.2266 20119.94688 10441.93315 21488.43129 7270.440574 17725.14651 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1163.918888 22054.8336 4.07813e-08 17407.81182 4.07813e-08 Munetone 4.07813e-08 2342.276533 486.2324762 89.04879372 4.07813e-08 4.07813e-08 177.4503306 191.6337148 1420.81802 22650.50761 21623.60809 23623.50035 20781.09313 8046.953677 55071.08367 26626.03112 8792.99608 35523.164 247.1213444 4.07813e-08 1646.600419 1152.574763 1360.892853 4.07813e-08 4.07813e-08 132.8228584 1476.974784 86617.63276 24636.07885 7447.079606 42644.87588 7294.386446 18063.13444 110037.6805 40687.93411 22384.58492 4.07813e-08 591.0843466 609.9959868 933.7857022 519.0781557 332.5125604 4.07813e-08 4.07813e-08 115.6328076 4.07813e-08 306.5701811 150.0955971 2594.209011 10443.22545 23650.27419 333.5026764 33281.06249 4.07813e-08 Compound III(S) 3745.204594 9748.095556 824.7109511 3855.83704 665.1624394 1892.39074 4992.735539 9742.359448 9199.943378 1045.693363 1434.585504 519.34816 1207.55967 219.9471985 1291.37805 50.63917886 445.4998442 850.9829891 346.8760334 4.07813e-08 1372.692875 126.369863 196.1782687 499.3569893 4.07813e-08 410.8307082 771.5758931 1289.632091 869.3749384 928.9960793 741.1535553 1845.264327 1297.469847 1754.827291 184.3707371 618.3964961 263.0957455 419.0007083 1527.27664 632.4181257 117.7325413 389.9190324 181.9318851 355.941194 251.4011353 4.07813e-08 755.345117 1252.491207 3913.905337 6650.87849 2283.275697 1345.247896 1158.882879 273.7681135 Fumigaclavine A 2519.73303 5121.716778 2230.551621 3225.194053 856.8813771 1861.162863 3470.615633 6551.153488 9218.632245 31756.8751 49497.88478 53309.50423 34305.20691 65540.2021 45114.53711 38342.72751 96517.45009 66320.7521 1820.200777 2384.655847 773.8015271 1068.220244 3219.902512 2899.49165 2286.513575 2040.084105 2515.414911 41012.79984 58424.23143 41901.24635 28922.63072 80647.5265 36487.98484 25957.64019 49324.39978 50857.72013 1050.207613 2585.639952 1221.865075 1378.505701 2364.098025 3139.557216 2961.418634 2732.743387 1796.424854 1901.526555 1659.616765 1463.204944 1528.14991 5359.818679 46777.04424 680.5643168 9335.679074 1243.402379 Atorvastatin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4683.501575 8699.552843 21533.92381 5127.226584 17654.49472 5548.372286 17371.20216 17646.35412 39565.10781 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.6752607 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16937.06607 9364.796579 14567.83215 3413.113802 11438.60141 8102.520853 751.3063826 8289.272496 5852.084637 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 196.285838 4.07813e-08 4.07813e-08 202.4049113 4.07813e-08 10882.41383 4.07813e-08 4073.199922 4.07813e-08 2,3-dihydro-2-oxo-1H-Benzimidazole-1-propanoic acid 5322.148881 2610.948287 5056.944487 5921.71161 10398.45865 8245.359992 5751.965435 4284.299509 2555.511501 444.1854441 60.6275473 806.5531296 279.7739102 1244.804283 329.1680419 277.1295219 239.6280797 658.6525466 2821.982947 8765.712098 6730.927959 8395.107271 11749.67816 12179.02318 10189.88578 9174.402658 14184.89786 98.73229624 529.9426081 413.507499 236.1932537 266.9408312 192.4319096 361.5221478 62.49718842 1398.85973 5244.596843 5691.151077 3350.825229 9471.574593 9229.407081 8722.75882 12413.09009 8555.722956 10297.93632 9756.541614 7658.345875 7640.089637 4910.358313 4995.154005 586.5642857 4805.218006 146.9441129 9184.739256 Ankorine 16937.78954 27155.81616 9766.894771 14810.9871 7698.134402 11562.4538 18106.07173 24294.83857 30223.14284 3963.11338 2917.024349 9252.774864 4889.912432 2629.377317 3145.191573 860.9458617 1666.674426 2804.193939 8312.738332 6951.858623 9957.897639 4485.03027 6889.800683 7583.360446 8405.924446 8686.300378 7198.9939 1949.430387 2930.430536 2328.111723 2715.398595 3762.192765 2803.193493 2854.686525 2467.852361 2576.60607 5168.433579 8265.865746 9550.631145 6460.555953 6112.824429 6262.243525 4577.789063 8650.174124 6444.001885 7301.394376 12203.72258 8781.931598 13371.72527 20373.59739 3624.488996 11929.64558 5018.696 9294.087421 Allamandin 4.07813e-08 122.0704743 4.07813e-08 237.0582245 95.60483562 4.07813e-08 4.07813e-08 124.3912907 4.07813e-08 13392.40489 8500.701609 12333.87727 15194.45153 8528.749125 11266.17482 9010.941544 5172.311736 39487.7874 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 251.8500041 4.07813e-08 3.020698083 4.07813e-08 4.07813e-08 8866.973138 7267.774523 13623.07102 8446.015454 14233.52554 30726.17076 25069.88812 6981.364596 19558.46458 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.507275207 4.07813e-08 169.2579924 36121.70974 4.07813e-08 20657.60124 4.07813e-08 M 344 6506.451044 10954.80493 3550.367683 6911.461823 5685.352371 6837.629468 5148.088222 14395.19034 21582.88919 221.7716082 290.7538874 50.24458139 328.6075003 4.07813e-08 481.3566925 4.07813e-08 739.650412 25391.92824 1277.77455 2084.472977 9451.618894 1104.149503 4110.335196 3831.076495 1616.642399 1607.130383 3148.433404 113.5336986 136.8270136 4.07813e-08 458.2600018 270.5460514 223.5525046 1905.961466 97.24653381 23075.22297 1898.4987 3377.671265 5196.841512 4006.830619 2379.516438 2980.634841 3044.590533 1423.246618 2988.726677 2019.172901 6982.970209 4970.776822 8774.846078 10697.63314 112.1500629 6746.429794 924.1967131 2916.994883 Ipolamiide 168.1777871 4.07813e-08 4.07813e-08 160.7821603 330.2695573 149.2621493 4.07813e-08 4.07813e-08 219.8364689 6365.747527 6442.167818 3626.536625 6929.012171 3738.35304 4234.939095 3039.366526 4618.096917 5126.758984 250.9150432 4.07813e-08 426.5680233 204.7543397 236.6142047 266.441942 328.8414417 4.07813e-08 332.3782274 3778.635723 4616.281006 7986.80096 3510.128646 5856.288762 4365.853956 4656.268592 2670.73644 5449.56162 157.9041237 4.07813e-08 4.07813e-08 137.4427092 4.07813e-08 516.4311567 4.07813e-08 477.665573 4.07813e-08 4.07813e-08 299.4467285 4.07813e-08 195.5111838 1112.149776 5842.483032 162.182862 6627.304709 227.2081404 JWH 368 24765.22146 40247.31491 15057.63575 22834.3809 10954.30374 19963.95699 33559.60433 47348.98691 70409.35385 6493.068149 4461.136137 6662.619899 5187.113346 3315.156086 8394.774643 3530.09577 6400.400944 5967.280781 2539.525933 2156.536081 9273.423205 890.7417131 1337.20085 3946.683745 3069.610958 4209.278163 4993.463447 4623.864767 5286.953791 2293.81443 5781.800556 4251.657082 3417.811863 6686.300088 5865.337295 2510.99895 4071.421642 6516.534397 12615.34823 7762.91584 1858.372975 2295.570423 2545.444894 3829.669877 1331.995756 2831.997477 25817.26621 15818.24948 22808.1303 37278.98174 3408.826461 16460.41835 3642.475006 10758.82111 Praziquantel 7162.827564 19343.14586 4293.221985 4720.500952 2402.112552 3464.980077 7617.565927 16200.63622 16236.47081 97230.96147 142030.6118 92671.808 94668.9066 60459.61557 144711.0714 170958.4177 92841.50626 83721.321 1077.173551 255.9538244 4440.304025 1211.632381 255.3855015 694.3427986 1453.699352 147.8452775 2126.310781 72051.71515 141983.6422 68117.50171 141247.7925 68490.02025 119231.8203 163922.5816 105451.3952 104221.4473 1730.227107 2738.315179 3592.791503 1325.343893 1515.458853 1297.590181 278.2244881 1005.620883 23.30980751 1922.110158 4628.297962 2388.5564 5281.718825 11574.27326 82283.2636 1848.480837 40191.69092 1461.918794 Urolithin C 5164.216022 4232.264695 2609.184565 4814.894764 2158.999282 1014.812595 1903.128256 2555.638026 775.0605352 148.3683768 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108.1652601 4.07813e-08 4.07813e-08 4.07813e-08 4619.937084 2865.890229 6062.805223 10310.10796 5021.128174 812.0522925 7025.116201 6304.137782 711.5223196 169.6629114 165.1825841 4.07813e-08 176.0607499 515.0503754 155.4729629 194.2175584 59.72358859 4.07813e-08 10352.11373 3812.523059 6425.646558 901.3658672 8663.710833 8997.534062 259.7056398 5340.298053 9404.147694 4.07813e-08 148.9829365 1175.520925 6676.64244 2739.452255 217.9574201 760.7329064 4.07813e-08 1080.971402 AM2201 N-(3-fluoropentyl) isomer 230.7711071 214.2109325 1006.123795 712.590856 1126.476633 1282.809685 1091.485736 152.7912064 4.07813e-08 429.225574 186.7557209 510.7964668 5.865381701 315.1368023 580.8856147 9.319746619 104.740514 4.07813e-08 4016.204832 3522.232714 3444.592109 2816.986383 3590.433078 3583.335133 2607.6319 4298.422302 3160.073429 567.0530237 761.2732365 435.1895492 103.0977834 848.6125209 536.8404022 822.2594248 194.0722564 349.9479455 2815.145429 2416.256089 2286.220673 2221.147437 3147.553987 4228.452595 2794.160821 2794.374952 4328.161132 1478.969649 1743.016756 2096.912383 1468.908085 610.9193088 1188.778318 1220.963696 20.9276024 1233.558804 N-(5,8,11,14-eicosatetraynoyl)-ethanolamine 21919.82356 22434.85303 19609.21863 25953.22142 28534.36107 27818.66015 22258.70283 27920.66929 28147.1668 8045.203539 8983.909978 5864.141032 19049.67499 10007.32725 2167.038024 716.4861639 2129.901849 1588.753805 12986.23655 9690.725552 17609.76527 11535.2427 19672.10312 18992.87839 16313.29711 13112.17955 19801.08659 7198.652655 1851.348834 1583.485983 738.0610227 680.9701658 6739.066303 2662.230717 1288.576967 1486.226032 13124.24757 16240.47007 21060.64713 21999.3184 14888.9836 16745.54903 17462.89329 11472.40817 21198.26302 13777.78305 18902.18936 16478.53407 22485.85201 44854.34375 4769.902867 13851.90325 27093.23022 12694.26602 LysoPA(0:0/16:0) 3031.983963 9855.038521 1799.517329 4547.187933 1215.668118 3522.997029 3898.950699 14057.9812 18300.24996 3129.614198 5417.523751 4350.175806 3905.677531 2355.560155 4118.153243 1714.19642 1848.636743 2404.376212 925.0151319 610.9659742 605.5705206 144.4347626 463.8955991 685.3297612 4.07813e-08 463.7651744 4.07813e-08 4490.024541 4044.68132 3016.40633 2310.109063 2256.15571 2143.727409 3810.247915 2262.314057 1660.261594 270.5029055 527.8678718 1523.146533 550.6255365 337.8352666 240.0361996 537.0285481 992.7938559 836.9287976 839.596111 3297.730076 1824.190213 5173.231084 11217.99166 1906.557897 2336.271138 3678.293725 1896.014642 Kanokoside B 8092.111787 16926.78459 5488.19822 8987.781027 2084.586195 4954.929901 11559.28712 13698.22317 12995.20721 5055.939091 2577.708537 8014.918373 6638.956132 2695.764689 3902.898704 985.9447994 2483.19606 2526.434207 892.8642103 223.6933084 1414.560497 399.6734381 345.5131345 325.2803461 518.0177998 3218.851949 885.0823708 4566.657275 4890.804473 4060.48528 4236.015841 3773.494644 2958.469993 4012.022606 1275.130517 2991.412714 3844.925891 857.955637 1720.097216 697.7802872 180.9719171 238.6566276 193.5474498 3227.811422 4.07813e-08 431.5024179 2430.670111 1566.713494 9961.247577 17390.65323 3344.794883 3461.883078 2113.848259 1149.986106 Hymenoxon 1006.446997 1242.11822 1298.457841 706.5622535 1866.147129 1853.083757 2119.478846 102.7601548 55.87931382 96.6441631 278.3723455 8.68197194 4.07813e-08 248.9180323 2155.135607 97.50546719 903.2153728 61.81316265 2145.675554 3536.468685 2118.291117 1457.346828 1973.051822 2430.411197 1687.319287 1803.016516 2902.340325 4.07813e-08 585.4406591 434.6509948 4.07813e-08 327.0450585 4.07813e-08 729.0582735 4.07813e-08 320.4175928 2317.114321 1386.621525 1960.838788 1616.653812 1944.059507 2572.392581 2210.515227 1721.154843 2001.027437 1996.179511 1593.320485 1445.246084 331.6353094 485.0159182 4.07813e-08 1882.492064 4.07813e-08 2602.755377 PG(P-16:0/16:1(9Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19975.43124 17158.46106 11754.77249 14425.52763 18144.79835 14904.79669 34674.83524 12398.63811 18267.82076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16479.90192 8882.756825 42136.02391 20141.9061 20666.03739 12806.6162 47040.74275 13987.35013 64896.3858 33.88087468 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13121.07738 4.07813e-08 2061.623314 4.07813e-08 Lycodine 1167.783562 749.922483 2233.14739 2229.256674 1525.162422 1254.367618 1250.666937 2057.140381 1926.987367 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2216.362357 2527.702326 1785.964028 1918.959386 3072.832931 2608.617112 2280.837921 2122.841445 2910.399854 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1331.684481 1783.200913 2229.987962 2201.636071 1568.856275 2229.634711 2405.305607 3114.924634 3739.457088 1235.876541 1045.431255 1806.086266 1174.288696 1528.594216 4.07813e-08 1298.605431 4.07813e-08 1673.839669 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime 711.6600368 13382.19277 215.0377082 1834.721369 4.07813e-08 1391.789816 151.8642248 102.867899 1090.37261 10693.86331 14468.10509 8437.977707 19702.55026 29894.21653 333.4902667 4.07813e-08 4.07813e-08 4.07813e-08 342.3986877 4.07813e-08 667.097951 205.6971795 875.3479393 1267.475217 224.6099289 786.5407977 511.8111104 10724.8102 4.07813e-08 4.07813e-08 4.07813e-08 169.0267007 6021.096629 109.5342069 4.07813e-08 471.097712 4.07813e-08 652.5914754 198.3790488 1290.392641 884.2464491 691.2819573 1155.007224 826.9467515 1652.982105 516.7441225 6990.639018 1312.826638 9397.421298 37003.79335 2000.724613 1983.564596 62975.87536 16576.24901 PHODiA-PE 3553.088041 2873.994151 1333.668546 2780.176062 5428.809236 3695.924883 958.7607141 7889.701155 4486.628137 3382.765055 1067.557991 303.5666024 4561.449265 305.7590321 3.6097843 14.05178057 0.076124982 714.8212291 8609.141034 5556.617156 5949.25568 7645.807164 6979.589896 6786.928539 7343.249489 5496.870281 4688.075965 24.42637091 1218.554789 11.23876647 0.882305215 1043.086276 1005.353259 5.504551772 5.41218425 18.51620857 3654.961338 3260.9868 4926.025191 7247.58824 9386.142909 9474.650101 6309.100186 5607.870708 8274.859319 6838.613541 1152.505319 3490.368536 978.9663068 2251.493668 3.943798722 4853.802198 40.3172368 1872.833264 Ammothamnine 11254.8204 8801.064144 12074.49388 11600.21339 13118.10868 12541.26106 10912.15596 9579.470962 9795.590379 445.2067593 847.908106 1018.80247 699.4368038 805.810087 1112.701768 804.5973502 781.6921885 555.892811 17754.26105 18755.97452 11030.5407 15394.70311 18556.01276 18353.75999 17010.3069 15865.73355 18938.74232 578.9900967 846.1879103 1311.869847 624.8533967 1574.639656 1498.185719 402.5405063 519.2166453 1029.643729 11574.0307 13975.62695 11590.23585 15871.00397 18003.59013 18228.70322 18659.21549 15160.17744 20759.84886 16210.1423 11704.88898 11692.30757 8993.588348 6920.406734 1280.499763 12036.21366 1034.387226 13531.88121 Flavaprenin 7,4'-diglucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3968.476166 1345.351491 5384.794316 4239.568683 5050.109006 1757.037667 1924.505648 4066.38269 8684.108895 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4863.52936 2651.726195 5040.634365 3774.341303 3452.657488 8931.792237 7508.214384 5712.252212 2479.251821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 470.6363436 4.07813e-08 4.07813e-08 5713.51122 4.07813e-08 2008.929182 4.07813e-08 PKHdiA-PG 4.07813e-08 4.07813e-08 683.5394297 4.07813e-08 337.6130993 22.67463676 4.07813e-08 232.4234827 4.07813e-08 975.2181563 459.4038309 120.8435749 777.5842547 337.0192449 8526.882939 6913.898895 4.07813e-08 11717.44679 4.07813e-08 4.07813e-08 147.9349366 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12361.49449 8588.805703 46454.26865 73481.82444 25508.37136 3662.1526 17878.08978 6164.072998 21165.83563 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 166.539831 4.07813e-08 190.0450144 94.11988345 157.7799894 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13717.49545 4.07813e-08 16354.13933 377.3279501 alpha-Amylcinnamyl acetate 6767.428827 3656.050809 5165.618979 5593.853383 7177.310071 6897.358483 6545.719007 5637.555743 5466.625357 112.4755835 281.1953255 52.0931557 70.09256701 133.030818 47.07801572 68.30039973 232.850234 37.56423416 9507.5084 11797.53002 4836.151933 9098.740087 14251.12725 11794.31299 10961.61388 11680.00979 11921.4019 4.07813e-08 4.07813e-08 61.55198411 130.0955931 83.33339749 100.6682701 120.1067443 67.08233692 149.1056875 5950.90018 6713.475171 5006.727204 8922.598545 10610.50288 9608.651054 10712.50778 11191.3132 13974.15331 8358.950724 6220.311892 7208.051405 4555.657001 3263.393901 271.5451561 5082.291762 205.4708112 6190.090628 Soyasaponin A2 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 895.6746399 4.07813e-08 2325.326319 4.07813e-08 15248.7304 63099.1649 21167.8384 7327.221129 37741.82448 18197.35132 25188.61381 13639.55295 45384.1246 55.36266308 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1810.555961 13789.2103 36342.50306 5599.88476 25777.94417 14016.78414 3008.231958 11403.72686 15067.62964 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2694.353084 4.07813e-08 36094.67616 4.07813e-08 48954.87391 874.0140335 1-(2-methoxy-14-methyl-pentadecanyl)-sn-glycero-3-phosphoethanolamine 11982.85074 11376.87119 16528.28236 17748.6748 25648.57603 12726.14344 11116.98602 4072.528356 5018.201976 4531.427751 6519.321817 5779.822074 4489.691716 5590.605576 6638.405217 2940.283009 2064.366456 758.9725025 25375.72995 21454.10513 19236.48749 22782.35391 25366.68442 21693.69805 20871.62402 23651.17346 24502.49291 2488.683184 3852.092352 7461.918027 3652.523674 7489.327852 7373.366772 3586.065023 4547.312105 5992.134875 15548.23347 15732.27001 16279.13488 19232.27262 20286.03457 24085.88801 16842.84363 20399.58476 25968.08454 15125.26661 11347.7143 18712.81613 12092.43399 11863.1231 6569.453414 14495.55771 3318.194294 13786.63715 B-Octylglucoside 2496.833931 1367.639461 2726.543062 4831.75852 2465.452631 2145.806155 1542.515761 2995.260994 2022.095082 181.3951496 408.3440486 282.0687668 280.3649993 1336.945367 4.07813e-08 862.5472507 227.274154 100.481651 3575.583886 4689.144933 3228.751292 4173.757334 3825.058965 3916.621069 3716.16809 3209.855514 3480.590984 48.86981487 237.8809251 369.0987728 4.07813e-08 610.4399385 63.33615046 211.7539604 127.8109176 56.28008794 2611.393931 3533.106741 3232.324149 3936.591805 4390.965463 3405.202393 3927.440626 3041.375797 4854.353948 1382.605604 1874.888974 2525.943146 2075.355538 2374.462204 4.07813e-08 2871.499229 157.6243303 2749.134464 S-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one 4636.892945 4847.381428 1790.749491 5150.750313 1499.606832 3417.86108 4299.87116 4255.741947 7889.83322 5898.284734 6871.031663 9193.345291 5949.083543 6140.571344 5285.58916 4683.10441 4734.32908 3196.845546 254.3620156 747.963955 2156.364389 1527.069583 1166.224225 1815.808866 1741.42586 2566.529768 1377.386061 3374.994895 3138.672819 3787.573408 4657.587261 3550.139562 7758.065683 4422.219799 4224.951307 3550.089656 3571.348298 1734.515155 2412.959347 2746.486456 814.3464207 1161.599791 1873.862126 1397.492297 685.2730324 1062.813505 1587.250624 1454.165943 3579.558709 6934.287819 3502.351062 1593.199727 9808.767655 2124.600477 25-Cinnamoyl-vulgaroside 693.4000858 4030.442015 4.07813e-08 4.07813e-08 4.07813e-08 134.0668321 118.9838985 4.07813e-08 1771.734274 7192.040741 6593.19445 32785.56775 6950.577506 18642.9877 30515.4036 36909.4885 80410.06788 990.8825175 9.415849927 236.3572908 4.07813e-08 0.498145761 123.3051607 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86401.47827 4726.620692 6635.212469 3701.922837 7866.446845 23300.49301 7725.107501 39294.2522 5928.409863 4.07813e-08 127.3912221 4.07813e-08 4.07813e-08 23.33772058 164.9581634 196.8860599 4.07813e-08 146.8767189 4.07813e-08 2152.527444 259.7031978 1137.774157 4.07813e-08 12553.75815 380.8886961 1769.773216 42.27361494 Desmethylflumazenil acid (Ro 15-6877) 822.5380235 1307.152748 1791.914592 1680.001274 2477.571911 2287.875735 2375.796542 2406.879412 685.1875423 4.07813e-08 20.05251772 4.07813e-08 37.98005352 20.70860328 4.07813e-08 4.07813e-08 4.07813e-08 18.24672345 1898.524113 5461.431026 2382.263145 2444.968876 2141.733526 2337.648737 2269.256248 3335.223917 3921.587657 4.07813e-08 4.07813e-08 4.07813e-08 40.7848997 4.07813e-08 25.06096734 4.07813e-08 20.4029624 4.07813e-08 1269.622038 2123.437976 1395.051512 3716.494298 3631.8041 2445.943509 1827.426271 2929.705091 2393.278583 3403.762068 2521.119107 2180.820295 1354.155728 965.8643724 4.07813e-08 1529.145045 29.4992133 2178.966592 STROPHANTHIDINIC ACID LACTONE ACETATE 5433.566187 4505.729826 8336.720344 12846.42143 13712.46659 9259.743892 8177.358806 4469.567514 1311.676076 4.07813e-08 4.07813e-08 4.07813e-08 143.2187501 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4268.473437 7796.795936 4938.181447 5562.434837 6290.307844 7953.303843 5935.200821 5176.931352 5641.019219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.69442098 4.07813e-08 4.07813e-08 3689.66358 7616.69264 5348.203571 6889.395203 7551.860398 5442.973285 8484.927384 4383.577447 7007.112517 5775.598491 2523.760305 5289.591309 3010.78949 2193.87467 4.07813e-08 4868.862359 4.07813e-08 10133.87562 Dehydro-L-(+)-ascorbic acid dimer 856.7988522 1243.235269 518.9492168 4.07813e-08 4.07813e-08 1153.860873 1771.5928 1243.928393 877.6584764 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 763.3951927 472.8599629 1368.418066 1566.901071 680.5933507 1215.324107 468.8312657 644.8121177 840.7942518 260.8320755 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6532.257424 1305.818578 1843.644737 1200.555033 1637.515163 658.0089445 1355.838792 512.7348621 1595.453624 4.07813e-08 4.07813e-08 1679.762932 3708.923323 1035.86481 4.07813e-08 1159.945486 4.07813e-08 2258.353244 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol 24526.59095 23235.07799 37442.05774 46266.23548 55762.7208 31030.46981 19954.95718 9596.81466 8220.684081 11595.12717 14531.40677 24842.0781 10629.54237 21227.08677 16819.23824 12221.15352 6051.818146 3735.704703 38485.57527 32317.12292 37746.61467 39244.39338 40380.22276 20086.28056 34412.28783 42229.243 40605.37784 10965.22828 13603.93905 28319.16123 12049.30446 17481.93153 24848.33573 15597.93581 19286.5479 24326.30084 31570.95452 32958.71643 29621.45992 39792.70099 37587.25153 46144.81036 16657.43852 41489.19618 37455.02726 24897.01392 18876.84513 28785.26767 28109.52214 27734.28727 19117.97059 30359.50454 14899.78602 21409.90038 Trehalulose 438.8196922 1302.952146 4.07813e-08 1327.186422 2426.694563 222.7730196 1580.528844 1401.543401 3177.709033 204.618107 107.7648822 352.7833517 267.5793495 2.114137611 4.07813e-08 4.07813e-08 1261.010251 4.07813e-08 3380.870115 4159.225879 2211.550119 5473.064748 4895.971936 4413.9175 5223.006165 2938.502551 1145.859468 4.07813e-08 323.2122539 1502.432926 71.14424461 4.07813e-08 516.8066469 93.80885226 390.9400248 2.901520995 2723.288407 1410.795305 1307.10527 2569.560432 8086.958236 5285.012853 3760.888943 1735.473373 2081.310425 7697.833458 4905.833714 3030.615796 2842.416173 2863.816713 6154.595579 5594.719048 796.9857958 2267.856784 N-Formyl-norleucyl-leucyl-phenylalanyl-methylester 5579.090671 6799.88996 5290.007393 3658.254491 4535.157421 6583.701571 6119.831148 7212.210315 7497.816295 3041.947635 3766.315764 8608.943691 3799.871845 10372.19004 6877.657739 3577.802011 9701.544696 7293.218281 11005.05127 9421.662719 9536.56616 8414.125681 8974.401254 10566.38473 9210.207626 11675.41203 7579.292033 12087.34701 8849.87263 11275.84586 8291.976964 12813.31289 10546.26513 9825.487246 9351.760887 9829.148441 8921.271022 9488.080146 9722.081233 10892.57822 7812.007847 9119.430237 8608.825516 8336.305178 8172.328221 6312.073109 5697.991221 6809.489786 6988.763432 6111.068092 8790.46428 7087.352862 5230.944951 4224.656608 Geosmin 1289.609144 749.5256176 1881.523078 1489.956069 1503.241943 1410.627153 1506.41309 461.3193573 435.9223477 98.4215141 235.0192938 422.2507165 260.9595449 423.1083994 263.9177836 82.84212188 4.07813e-08 4.07813e-08 1600.524551 1256.520808 1634.595094 1597.197935 2562.929999 1035.396542 1071.023855 1506.118643 1418.04153 4.07813e-08 291.7284575 1037.714088 92.39503708 469.7633901 553.8974238 108.7969033 59.54484234 604.4407561 1130.492833 1305.474569 1007.63701 1399.161709 1362.586238 1445.577652 1230.073539 1187.837268 2254.665693 1376.90951 1591.156745 745.5416505 870.0478102 535.8428296 364.6539514 1030.02976 489.4567872 1127.457365 Benzyloxyphenylisoserine Methylester 3777.769215 2952.17272 3713.586258 4208.257316 4610.626123 3707.192172 4668.030221 4206.167857 2520.258354 46.64034953 4.07813e-08 55.72849251 4.07813e-08 4.07813e-08 4.07813e-08 43.55990229 4.07813e-08 4.07813e-08 3980.278065 5081.153574 3550.843022 5031.528142 4270.685224 4837.010797 3814.877102 4577.26645 3614.295133 4.07813e-08 4.07813e-08 64.00810759 4.07813e-08 154.708237 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3004.771751 4017.125455 3221.180736 4268.120243 4943.37173 3292.271046 4228.558979 3601.942119 6018.814647 5574.682059 3190.883909 2897.123195 1874.070889 1224.66008 165.4198491 2910.143502 0.792665539 2928.381443 20-Hydroxy-leukotriene E4 163.2318734 452.6630152 4.07813e-08 104.073849 4.07813e-08 1.185011268 1.413504165 155.6846301 1.578890204 22401.84042 20758.93897 10652.74521 22242.07487 11849.94259 34301.15146 5087.134092 17155.20058 16412.08055 2.121416653 170.8471615 245.5717264 9.46858766 353.2728922 1.780146339 4.07813e-08 209.5833353 136.05924 31896.23522 33586.60594 28188.49115 29861.33009 48486.09282 28085.43507 44646.02826 15144.26321 24650.33015 181.2040378 2.683755273 4.07813e-08 4.07813e-08 33.76193317 0.064727774 240.6337135 160.5024691 69.26477683 4.07813e-08 211.8322748 0.83601593 354.7471866 513.4000644 55952.89008 309.0400293 42066.64132 7.45892181 Equisetolic acid 1025.064734 1095.603809 5855.008889 266.903847 2009.401545 11089.7699 6032.177662 9702.032078 8118.524022 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 500.9269576 1641.933243 5387.303711 4972.062064 4638.352832 11258.53332 8186.980722 5285.011146 580.2108019 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 173.2651261 4.07813e-08 4.07813e-08 3015.909377 1839.24187 2385.318965 10704.12508 10238.27272 6576.535122 16312.77895 741.1640674 4.07813e-08 29204.64512 3906.439903 18277.34688 4499.982349 7439.383348 189.7417007 6316.45549 194.4049827 2211.103224 Tanavulgarol 76.6466563 161.8747082 540.1625716 221.9816829 335.0489788 440.2959551 297.2248807 150.017118 98.41674799 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1608.583458 1287.730569 455.3655656 1208.660697 1173.959982 1225.318703 1589.309145 1880.853624 1880.303062 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1065.934411 1138.907798 835.0837057 981.7211175 1611.768982 1093.267453 1351.655537 1824.24781 745.1409171 1045.265979 906.0739117 895.673345 779.6913508 807.3665708 4.07813e-08 998.5163222 4.07813e-08 734.4132215 PC(P-16:0/0:0) 4.07813e-08 4.07813e-08 105.1699223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1818.96766 17363.36826 16865.64987 11170.47413 18676.22157 8669.61959 12738.44051 4610.964766 13055.40719 10442.18509 4.07813e-08 1443.673896 19.19474644 4.07813e-08 122.3328093 40.35912792 179.0953801 184.4610648 4.07813e-08 18554.71621 8980.879187 6860.595736 7316.856475 2294.261429 11512.97218 3728.387165 10423.84692 5975.683169 4.07813e-08 154.6466818 4.07813e-08 143.3721911 4.07813e-08 47.46497338 4.07813e-08 4.07813e-08 27.99884425 4.07813e-08 154.4142102 17.14462227 4.07813e-08 422.2052105 12197.75833 0.400084245 14335.07366 4.07813e-08 2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine 430.9545548 562.5457143 847.5491843 860.9126434 8203.434016 53.80091929 477.4341817 750.4719747 436.9278939 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6341.191385 165.0476164 971.6433494 2903.75517 4.07813e-08 4.07813e-08 1048.652558 820.1271915 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7987.11591 299.2634227 1324.411766 54.25330605 897.4526777 1659.419567 4.07813e-08 515.0106781 19541.96588 4.07813e-08 56.77055811 292.5246086 510.1868062 1282.817099 4.07813e-08 159.4918617 4.07813e-08 4.07813e-08 Arjunolic acid 8340.927356 4316.554987 5032.909371 9220.838547 5575.049505 7893.921242 8711.478854 5916.422292 5341.111189 1109.391369 1004.4725 2691.493182 1843.98284 3543.894722 4067.517925 884.1923758 6289.543633 7021.642336 10976.88335 11684.57942 10140.73308 18536.73484 11975.66168 14613.53978 5691.283215 11640.19919 13813.83345 824.3258597 694.1236952 6038.044852 1554.177533 2422.857985 662.9857755 1470.202405 1496.810666 1526.739151 9948.237747 7407.506017 8447.933721 18663.20473 18276.97061 11984.42795 14039.23084 13802.36759 12806.61931 11319.50785 13016.72505 13205.56156 14113.91072 10724.98053 5005.815086 13945.92225 4126.153726 15252.12419 Lepidine F 5132.737592 15254.96653 326.3444976 3798.287707 127.0040915 735.8201405 4559.610983 1.04163281 3796.742001 6910.226017 6026.126668 9637.511745 6213.928765 1978.476832 3809.959656 4340.585532 12639.7975 3.495657556 14.68998537 143.7166206 151.2107846 105.320792 50.21501493 197.3786732 176.2758579 7.308918173 127.1773534 3619.083163 5484.995724 17202.42007 3769.108653 4976.281319 8247.346522 7078.942705 8084.11943 0.954725388 6282.568465 26.44443906 278.0045769 150.2790244 139.5204909 155.6923989 52.99945736 133.4536624 8.214565039 10.71627111 30.86545336 3406.157118 5358.524306 1173.811065 18305.81256 1651.591311 9676.093008 5.851855882 DG(8:0/0:0/i-19:0) 1407.866499 2994.988423 4.07813e-08 4.07813e-08 294.8096316 11.4263442 495.2270573 2188.226197 1031.675512 7190.834851 4653.405217 3678.129051 6404.44221 6396.541407 6110.969895 2472.15764 6727.354864 15818.78046 4.07813e-08 4.07813e-08 786.6712546 417.1699549 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3927.916026 5075.192335 4193.513627 4727.725394 7455.825508 3660.741455 5240.823013 3044.272724 4744.984683 3337.806622 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 416.3480329 4.07813e-08 2308.343055 1607.921676 6891.844142 417.9756897 3765.184954 587.4743028 PC(O-13:0/O-1:0)[U] 1854.392156 1162.078658 2735.628192 3678.94386 5036.120935 2823.604125 2652.337094 775.0185626 908.5101935 148.5474205 693.2440905 315.6704563 340.2420901 739.5928347 1549.790473 191.4613939 4.07813e-08 4.07813e-08 2615.843103 3473.100267 1716.842747 2550.932197 3636.914558 3289.052005 3705.669218 1884.78277 3910.228067 4.07813e-08 319.665189 1274.526601 128.0905579 616.9937229 1139.747038 4.07813e-08 4.07813e-08 676.1834868 918.0742064 1289.733322 1074.36068 2375.881332 2352.022459 3163.896233 2654.292382 2244.818604 2596.45338 2763.796331 3293.759262 1770.098982 1484.539001 817.5599405 640.9768615 2145.364714 297.9512552 2112.418017 3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid 13745.90263 20426.1149 24256.86627 23379.78153 57018.56107 23218.41449 24657.1435 15901.79191 37783.43092 3008.593451 2907.068152 14217.54396 3174.217411 21389.65394 12856.30633 3489.620532 5283.634957 28050.60367 25465.29257 27054.5704 21408.81015 21596.87806 27028.57124 23812.81695 29149.5132 15165.16856 17298.30491 10491.45385 4405.749972 1225.461141 4296.897926 5331.678162 3872.907611 2458.222144 2869.088676 7006.949039 18788.07781 16510.22296 18184.50107 30111.07682 27903.27209 23826.56713 19074.14869 14760.54333 14180.06956 46330.15853 26105.32804 22248.88266 23356.57369 18412.29611 10015.17065 19085.91043 1329.506733 20355.32575 4-Ethyl-2-hexyl-5-methyloxazole 1265.864789 815.7393742 312.922364 1152.291907 1741.42881 4.07813e-08 109.3295611 797.9260744 64.36625701 735.4346713 538.7871173 733.8469036 628.9754104 940.6939895 4.07813e-08 666.260901 75.20535128 64.34869524 870.1430317 134.6079141 233.6484064 805.2657026 2485.414003 838.8297109 147.1914682 1144.281359 4.07813e-08 4.07813e-08 418.5511698 701.708743 4.07813e-08 685.8477655 4.07813e-08 4.07813e-08 50.89810044 302.5697166 728.9134055 732.2013908 204.0102648 116.2194259 765.2325988 1514.789884 1341.897013 1139.464605 3029.692764 4.07813e-08 136.7433903 4.07813e-08 406.3210194 4.07813e-08 4.07813e-08 841.4012013 375.0389849 845.8500716 AKB48 3484.727245 2281.477564 1274.537457 1002.004846 1212.616051 2964.416545 1963.029705 2544.117203 2753.669466 2249.534422 2024.175514 1144.697793 2752.975366 785.1692513 1188.344974 863.8693005 2027.331704 1695.118645 3455.775643 2648.780086 2425.76838 2195.947396 3909.875207 3045.574358 3063.74391 3507.642887 2490.830353 839.6371054 656.3115284 3065.525471 920.4789036 3163.011409 1174.352228 1347.216642 1390.053994 2803.33523 2178.167316 2880.054457 1756.986015 2990.474466 3947.156059 2502.732032 2598.379933 3821.192328 4929.178376 1402.472639 2447.247426 2376.443131 1624.599975 1601.576785 2173.611891 1685.932006 772.9458011 1551.054436 12-keto-10,11,14,15-tetrahydro-LTB4 12818.74868 6950.470756 11232.35921 21030.46182 16823.54413 16953.94608 12013.42893 9257.671998 11095.57468 74.73951938 595.0454571 241.9818708 271.1797379 604.2502687 664.4731144 222.7714386 1145.85114 457.2807078 18269.81052 15874.8769 10104.47963 18617.8501 14891.57514 16455.03423 12403.86565 9418.410644 16289.24792 140.8384411 287.5143721 1238.866451 387.919316 748.002699 612.2425633 375.7328764 647.5066508 1045.274797 12400.7521 13878.07172 11609.57339 15923.66029 16871.76901 15149.66405 15351.04287 10062.13135 10838.08265 11421.34654 10585.2857 15062.68158 13355.58235 8036.114037 1322.666056 13780.62174 1662.967977 12065.44974 DMABA-d6 NHS ester 1913.310666 118.5579983 521.7373827 919.6184133 727.3217202 1282.746722 201.6285427 2254.703182 690.9251036 319.6337468 145.8371406 744.98895 351.1437092 1406.426858 902.1223801 420.3268104 222.6524234 3553.05393 416.7262736 978.7316157 765.1059109 485.894881 695.7276345 1147.917344 674.7193145 1251.586789 2703.587323 35.59844535 122.6967057 4.07813e-08 465.0808633 140.8242409 4.07813e-08 61.16737951 4.07813e-08 416.7116115 2623.309288 874.4119805 730.9873118 908.8639389 1087.658405 738.892025 1030.767681 957.7749755 1077.210287 282.7229484 1258.950211 617.6582012 428.7518181 349.1697416 347.5074284 355.1434806 4.07813e-08 659.003246 2b,3a,7a-Trihydroxy-5b-cholanoic acid 4880.393288 9500.114308 13342.67977 7756.712191 3979.981161 16856.50133 6087.184293 23665.2996 24294.81323 4.07813e-08 318.9107087 842.4738189 95.42443634 344.5953756 1116.32807 118.7453607 1276.639503 7945.171664 53250.99043 25550.01591 41130.99051 14383.39914 9224.320777 6152.005663 6258.042778 918.0099395 1060.436524 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 241.6177183 15796.09914 17379.29918 38236.48193 35288.37542 11022.91765 14301.12026 3602.208788 1340.147686 488.7014255 101106.4724 48426.47448 31013.1046 22094.08279 5515.140682 779.8441035 33139.6311 146.7996398 11041.66818 Heptyl cinnamate 2296.058261 2870.298236 4420.931474 1580.858137 1893.164458 4225.476464 2630.114588 6788.725422 6481.178889 189.3890783 42.57897304 302.5372382 203.334464 4.07813e-08 140.348719 140.1318768 4.07813e-08 448.3327007 7741.103723 5741.505211 8012.818178 1982.111988 3146.443088 797.3900337 1531.883016 744.4435712 521.0221095 53.95108994 303.9539178 111.7016924 250.3655827 274.1525875 199.6639463 313.3076636 62.91725942 253.2783772 3086.495982 4030.674448 6916.59576 5986.623322 1304.877454 3349.541394 1525.385807 819.0162545 910.9481008 14396.84995 8279.221187 5560.479664 6827.990418 2828.184659 1105.985279 8509.845141 58.23443246 3611.622714 Isorenieratene/ (Leprotene) 4.315335579 4.07813e-08 3.026699764 4.07813e-08 58.05435066 4.07813e-08 99.73332789 4.807637998 15.67966762 537.2711482 3717.822795 9980.974752 173.1291647 89876.8532 72335.07014 79205.56615 251560.3879 15388.16069 171.7104988 25.64537315 21.62358342 3.17419772 31.70707355 118.1066644 50.46509748 4.07813e-08 87.06221781 36421.69605 1198.372681 374.5366651 2594.656702 5129.300981 1226.758976 1764.545724 25640.57899 561.170272 69.12352554 143.7807264 4.07813e-08 4.07813e-08 4.07813e-08 80.00770222 4.07813e-08 4.07813e-08 160.9859824 4.07813e-08 4.07813e-08 184.2799406 4.07813e-08 4.07813e-08 13092.99449 4.07813e-08 166.2341962 4.07813e-08 10-Hydroperoxy-H4-neuroprostane 1594.483369 876.1126792 1251.910952 1116.881188 983.4734134 3269.423212 2036.09563 1041.158749 709.0766514 4.07813e-08 179.7334402 4.07813e-08 106.266867 488.4054684 358.1956075 4.07813e-08 4.07813e-08 570.4706229 3236.934156 2966.423664 1608.586024 4136.083436 5015.690412 5134.959267 4146.245819 2067.063791 2144.91952 4.07813e-08 140.2817864 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 242.8309678 2397.549637 3556.926206 2212.318768 1964.331181 3253.224336 4019.586395 3523.262032 1850.590922 3808.160281 2631.451562 2020.505048 3359.892225 1493.243846 994.4973552 4.07813e-08 1900.78679 4.07813e-08 1644.047152 Camelliagenin B 3173.9849 1854.530337 3180.282625 10552.66793 3369.454299 10256.47077 3951.433076 3750.597625 4201.200606 4.07813e-08 4.07813e-08 4.07813e-08 137.7147531 4.07813e-08 4.07813e-08 4.07813e-08 535.9647294 4.07813e-08 6889.452689 7495.300825 6700.397115 16450.71658 15760.19129 10981.42576 20615.25753 4536.840829 8545.6837 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 174.3133885 4.07813e-08 5143.960385 5131.560852 4882.505475 8885.037532 13140.94616 15220.80754 10900.15251 6474.181988 7941.956837 6293.837762 3552.202492 10128.81918 5341.981222 4802.620322 4.07813e-08 5609.664082 4.07813e-08 5910.403921 Humulone 10277.3603 7818.28851 13985.938 15717.69547 13265.61938 15089.64784 18835.62169 3716.341752 7488.972034 71.22892199 133.0871608 176.5215418 100.6153915 4.07813e-08 4.07813e-08 4.07813e-08 107.3830793 4.07813e-08 15633.50998 10437.88568 11801.15255 14581.81096 16049.93683 11484.05794 12034.48165 4472.495381 6771.126305 63.70837828 4.07813e-08 158.0779342 4.07813e-08 178.242464 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13667.3532 13006.77252 13667.32893 11136.6771 11900.41673 17210.57152 10893.39953 5489.691722 6100.515387 12673.23903 10216.90854 18302.98882 8446.973434 7646.136097 794.6163705 15844.56492 89.64890288 7493.843094 Graecunin E 4.07813e-08 830.9053081 4.07813e-08 156.6502897 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46006.02743 37080.87112 14248.80885 43201.44905 16078.16564 22451.85023 6308.359976 15386.41471 43181.69348 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 577.9715719 26.72461341 4.07813e-08 14363.56858 26753.17967 16850.38957 16469.19237 38742.19235 23800.68627 25218.62716 7302.318319 10432.26128 4.07813e-08 6.906648726 4.07813e-08 4.07813e-08 4.07813e-08 753.1178543 295.8946869 1392.097897 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36703.74665 4.07813e-08 46301.29433 933.7524329 Citronellyl trans-2-methyl-2-butenoate 3284.275778 2858.389239 2291.013741 2766.77408 2572.223284 2013.801296 2422.149059 3088.162175 2674.130507 1078.056028 1518.803246 1209.481801 1149.847632 1772.990552 833.8858157 2122.01957 1009.264076 950.1327267 1395.94427 1864.493506 1311.136732 1582.095743 1331.155606 1558.967463 1635.763177 2285.14247 1994.358833 944.3492645 839.5751123 1391.061595 1399.830573 1317.03322 1709.992459 840.3343041 1280.127837 2056.830727 1817.953099 2027.492868 1438.361521 1485.363415 1975.116162 1633.275395 1797.990364 2317.680746 1914.583033 1421.643308 1654.025147 1371.924374 1797.135609 1263.07235 735.2215757 2399.339491 1872.635388 1837.462021 16-O-deacetyl-16-epi-scalarolbutenolide 14066.99685 11554.76499 11557.07716 16910.23255 15553.59537 13402.32489 11431.91852 16412.6393 13008.64819 4.07813e-08 4.07813e-08 772.3151042 4.07813e-08 254.8827073 1546.647848 4.07813e-08 4.07813e-08 1141.103561 2330.309841 2459.263884 2618.856172 9108.149939 5311.581186 6933.675035 3573.476046 877.1757046 3950.419817 4.07813e-08 136.7000251 4.07813e-08 1.60834397 4.07813e-08 4.07813e-08 4.07813e-08 0.750921271 4.07813e-08 2547.180257 1957.14058 1411.858958 6806.299257 9768.270522 3586.290237 6151.582661 1070.254042 1905.198958 3881.789765 2755.922138 5564.017952 2942.306716 1105.791261 248.1238546 1342.053449 4.07813e-08 5807.651006 Rhodinyl isobutyrate 640.7946454 685.468522 817.4559281 1083.138042 910.1209046 729.190526 662.7158194 899.9181839 644.5291014 869.5114583 569.232729 466.7499722 392.6955104 750.729301 744.4567939 739.6095779 872.0052855 749.6428085 369.5179932 487.0859944 616.0242657 390.4617129 786.3388114 753.7638455 739.2357358 560.9172042 475.9314289 700.4055947 571.7868865 604.3999528 584.0093152 407.0744181 622.6286611 355.4513896 1670.458366 664.3008868 417.2082172 505.5672021 859.1171421 654.6853734 639.7828165 577.975439 562.9955467 496.465718 434.6632753 887.1379569 651.8884059 769.4823454 582.2039003 409.9076534 587.1866279 762.0443359 663.1018473 724.2226095 11,12,13-TriHOME 3750.279706 3627.58272 4128.200099 4290.064896 5278.520527 6099.105163 4269.549287 3945.418269 3332.578131 1124.366055 1323.034585 703.0936477 731.03056 604.2302397 16.61693479 791.5363292 111.9879402 106.4494802 4723.385409 5519.054185 3048.064127 2151.363638 3094.453235 7911.820586 2403.967543 3468.757687 3025.333052 14.63273529 602.3013938 891.0523986 4.07813e-08 242.68858 405.7432844 67.72992756 168.5167552 142.2555855 1468.418932 4810.031731 2094.258839 3880.387029 2887.891283 2701.50561 7815.729214 3902.670389 3396.450471 7262.491112 3367.549156 3047.58383 1232.629864 1253.094271 48.22075113 2997.657667 113.9772497 3837.671637 Unoprostone isopropyl ester 2414.132197 4.07813e-08 1418.286672 4097.330787 3471.659332 3893.223477 3290.521495 5058.968258 224.4876284 4747.326637 11016.49391 2957.408473 3624.504753 4.07813e-08 2619.010752 7652.00892 40518.42238 4.07813e-08 874.0167183 393.2882088 518.0915396 1666.549769 158.2332776 773.9332054 3043.755488 1219.752071 4.07813e-08 19465.66656 4.07813e-08 3301.32726 5268.509705 4.07813e-08 7547.601505 3352.051757 53989.60077 5035.370279 13865.21496 1247.709685 4.07813e-08 321.4952506 153.8264096 486.4978351 165.4929334 1276.947553 4.07813e-08 4.07813e-08 1451.052405 840.1665453 4.07813e-08 3267.775286 4.07813e-08 4.07813e-08 4230.850793 1032.121583 12(S)-HpETE 6777.67935 2521.759784 6876.000264 7296.231554 5594.692626 11864.5212 9195.175368 4742.303806 3579.0645 550.9514806 974.8263555 227.670795 671.5937378 385.7822314 471.6990399 214.4693082 625.6249019 340.7520272 10565.90872 9671.663958 7595.270083 9609.646423 11811.91323 12452.30229 8203.653934 7320.185733 8022.987282 108.2050412 357.6273697 1456.232019 2011.523442 1174.863588 783.8616786 247.8544007 1154.931962 323.2111702 8168.993033 9334.495972 7841.894968 7873.365085 10872.25987 8310.306868 11706.07294 6771.081361 8667.758984 7457.452781 4809.492823 9260.008857 4799.831467 3437.942323 730.4926578 5512.271987 1458.205678 4998.050846 SM(d18:1/19:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1159.357994 4.07813e-08 4.07813e-08 698.3791543 4.07813e-08 4.07813e-08 4.07813e-08 262.3388615 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1112.056998 11719.76402 906.3964748 893.3487192 4531.801039 13342.99881 425.5578294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3956.395698 4.07813e-08 11486.62511 4.07813e-08 4.07813e-08 11207.75511 12279.99363 5304.168159 4.07813e-08 4.07813e-08 705.2380524 1430.668595 4.07813e-08 4.07813e-08 Methyl 7-oxo-11E-tetradecenoate 6377.120062 7187.878543 5645.598991 6031.505323 5896.859164 5383.58991 5187.753852 6698.682117 6989.471126 4127.350285 3899.04421 3738.509497 3788.607877 4090.515836 2694.074839 6159.135367 4383.050357 4906.054044 4251.638143 4994.350571 3677.215503 4029.067425 3618.5396 3867.978098 5611.484699 5249.57232 4214.749472 3691.074214 4095.899763 4831.788968 4854.475462 4145.327192 5053.81173 4314.693869 4575.911852 4892.493531 4600.902531 4378.919271 4701.048693 3320.696827 4780.151053 4548.802229 4163.269651 5520.101449 3888.295871 4791.262618 4541.216295 4182.71484 5614.438766 5640.429078 3779.240559 4563.07272 4839.258086 6266.699308 2,4-Dimethyl-5-vinylthiazole 2960.720331 4785.969183 2397.310752 4220.227844 2717.041368 799.4967983 2078.063504 4642.614276 5736.894383 14760.33668 17892.41782 29765.29978 18286.65924 20123.44818 19955.36111 17027.11877 21503.63323 35666.99803 6527.478161 5569.507144 4455.012163 4411.557464 3389.159853 5005.218613 4028.533463 9818.262063 5650.991123 65841.78518 19758.1055 25106.26477 33119.28067 28203.65606 32570.2519 20951.79736 29509.57452 18090.1825 5007.229539 3817.428437 2905.364399 4136.679671 5022.540861 4064.070452 2122.999054 7327.278627 7927.757137 2016.563501 2938.965841 3084.569082 3991.738809 7401.870386 25998.21888 4018.344853 52543.6529 5883.259263 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone 6709.743193 3350.308666 1735.734581 5720.586032 4.07813e-08 6073.692669 1441.878592 4.07813e-08 6829.445982 14706.17032 31623.85899 27700.48251 14664.208 13550.72387 19368.27825 34728.8379 17117.22229 6120.243871 50.82116616 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15.083699 58.69680209 4.07813e-08 14681.13366 11053.06912 15746.68043 2883.900094 8346.94737 20904.58942 23685.10661 18151.875 4.07813e-08 4.07813e-08 4.07813e-08 113.0522473 45.41328511 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13446.72826 652.5060827 4562.112006 3202.416842 3901.82068 6570.842655 44923.97807 2579.341471 5-Butyl-4-ethylthiazole 220.5089367 371.0886301 286.9850042 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49297.28317 37634.29232 30749.06046 51107.38022 29813.02529 43224.42542 17467.2847 25255.21509 23700.24263 4.07813e-08 4.07813e-08 902.5514878 1389.081465 4.07813e-08 279.5583453 4.07813e-08 604.4762734 4.07813e-08 51149.25662 52851.70142 43711.23373 38024.74369 71040.90121 38098.48089 51993.61888 30038.05177 36417.25292 270.695789 4.07813e-08 374.0626352 4.07813e-08 409.3779492 933.0127447 4.07813e-08 4.07813e-08 313.198102 152.1512711 4.07813e-08 373.877606 4.07813e-08 209.6086477 80033.60487 175.3402404 52004.5996 4.07813e-08 N-Acetyl-9-O-lactoylneuraminic acid 4.07813e-08 2188.567037 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19907.06714 15396.52087 8721.962149 17965.757 9986.261832 7849.359539 6489.054372 4728.790825 13165.13993 4.07813e-08 4.896215317 4.07813e-08 43.5020539 4.07813e-08 4.07813e-08 4.07813e-08 43.98060832 2.083214484 13045.89249 17585.27242 12311.97613 8305.402655 15736.6129 8917.814634 13663.97989 5738.63 8082.259814 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.345626157 4.07813e-08 4.07813e-08 4.07813e-08 43.78650235 4.07813e-08 4.07813e-08 4.07813e-08 0.210764713 18.66003236 18449.80156 4.07813e-08 11268.03247 4.07813e-08 3-O-Methylrimiterol glucuronide 1664.034722 1827.390246 14309.7719 22158.92703 9186.960962 1943.862793 4.07813e-08 4.07813e-08 760.5553991 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 460.0289993 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21997.27268 5717.017835 33422.55954 24127.49237 5213.920473 3967.659179 10979.93863 51265.73069 11659.33578 4.07813e-08 533.4840377 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16103.76281 29499.01508 21653.88832 28743.31255 15072.81206 4454.391847 1070.15153 47809.66978 68605.44365 1995.710562 2773.575427 1014.153324 4210.69684 3004.382375 4.07813e-08 4.07813e-08 4.07813e-08 1522.693705 Triflupromazine 380.6413506 3363.117197 2276.295981 1374.211549 1658.309776 2144.547379 3054.164864 4.07813e-08 4.07813e-08 66302.29288 64698.26468 36452.53397 75874.8923 42598.91177 42031.03372 39694.4518 31328.87691 63155.61518 1809.076315 4.07813e-08 1370.244595 3095.470179 1491.949912 1567.959903 4.07813e-08 2061.842487 2140.098537 36225.03271 54925.87846 74632.83323 44013.28888 73338.62702 42943.90567 45868.99305 17556.18991 50484.07779 4.07813e-08 2298.156831 4283.167241 1156.901133 2392.538407 1233.950543 1297.840506 1397.987056 2909.199716 4.07813e-08 558.1364248 1599.606751 1646.363089 5168.950693 71035.51443 1103.525686 53311.71692 4.07813e-08 Borrerine 322.1123356 6931.426117 689.6626748 3034.94913 3996.431073 1980.064666 8064.182773 4021.840405 1144.749326 57554.21419 32639.06589 3666.311551 54008.97481 3612.319383 35796.07669 4.07813e-08 13014.94008 7890.275031 719.5940381 1373.63539 1370.200471 4.07813e-08 2045.159272 819.8649916 2102.45707 2034.909665 958.1286368 35080.14353 30782.94526 867.6400863 21179.72538 36196.03539 23325.79486 40685.83564 5143.586483 4546.273435 3105.656913 990.6838875 4.07813e-08 2462.097908 4114.168943 273.5704277 3226.473721 778.6015826 1141.845632 1026.153335 739.666498 1281.93277 2012.624692 4672.687473 41307.13672 2734.29098 30887.64322 4194.577854 1-Pentanesulfenothioic acid 37748.49452 28349.11122 47030.46105 46571.90456 45231.40721 48357.99181 39291.91644 52441.27014 51881.09339 464.5651159 888.4725625 206.5351107 515.1026089 1232.891392 620.7706966 740.133293 941.2627407 1694.411061 20884.4381 16248.35497 19026.12334 14736.29653 23197.25519 26694.87088 21815.33666 10844.99251 27141.24483 242.0042659 636.358686 1883.025415 133.2001094 1582.320657 387.5577832 55.42252032 438.106508 728.6336979 16498.89027 27343.72536 34240.41185 26177.67981 18385.19773 18021.9465 26237.05709 19637.25885 8164.924459 36144.99606 23601.98868 37045.33778 21792.2535 19485.3402 313.0371011 28829.97936 256.7105006 38805.84145 PC(0:0/4:0) 7804.203051 12683.12146 5516.072284 7909.532058 1251.918586 4024.841509 7130.806008 7357.397646 12127.86105 4869.362394 6231.869399 6357.110351 3852.422106 4276.581514 5182.602482 6412.332415 3420.574979 4019.121925 4707.844507 1861.771796 4713.009402 2587.058395 5364.316626 1934.008569 3060.332634 4204.163831 3426.605046 3396.958793 4512.205701 4120.071044 9140.927667 5878.886492 5588.804676 8850.248189 3411.143407 5770.367675 3362.351259 2040.468061 2734.184775 3660.994603 1358.136497 3079.137302 988.4817398 2766.450215 3986.332312 1109.731957 3062.020386 1789.250538 5617.429568 8180.663962 7075.29956 5206.319223 8253.6492 1994.970652 Mitomycin C hydroquinone 1498.990775 3339.710256 2757.578044 2970.461333 2647.284873 2414.48188 1209.85174 1221.089113 541.6815496 29260.82349 33286.59253 26088.79975 29931.63996 10636.80722 45242.26039 49721.94228 21895.49096 9060.833626 8193.098866 5737.290429 5851.955404 6039.128308 5500.893416 3846.875292 4478.23026 5149.850847 3695.187792 29502.27839 45201.33897 10154.41479 43716.89731 8576.033803 19727.37887 58977.16803 39548.0101 23285.45565 5665.421957 4992.475676 4234.204359 4498.527718 2678.778714 6676.234312 1928.648139 6734.250341 7176.279257 876.7113855 2859.633568 1752.988942 3876.092149 11549.1676 11956.81427 2190.819254 8023.058115 2824.624744 8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene 3096.634022 7005.448087 5655.144546 5371.538076 6766.289426 1847.080471 2511.688015 1400.655876 1012.201004 3229.155441 1827.30715 1973.162413 3033.165773 3619.321579 3268.290589 963.7614201 194.7010511 1542.780919 3922.994455 3479.965801 6254.00676 5706.46923 9267.273723 1892.589345 6153.571873 3695.789817 5564.683377 1024.737772 3797.752457 2470.891291 1082.970313 3309.696374 3004.755107 1754.204778 1864.929277 2015.806939 6855.800248 4551.696378 4953.842256 8236.945224 4209.614986 7123.823434 1486.818512 3310.941921 7726.469008 1920.544076 822.655786 2335.366684 4326.991812 4513.322254 3424.229143 3373.704951 2172.766032 3286.094143 CAY10587 18930.13048 26435.13517 18616.50093 17049.0454 20163.16244 14378.87819 18341.2034 20650.31741 25955.82627 20473.99493 26886.78098 16408.91344 22639.18557 11991.00487 14532.60436 8376.194978 11366.21759 12077.88856 28873.81024 29812.09933 32044.84639 24483.29046 32349.29076 31816.08863 26054.75768 33312.14602 30000.0233 20495.56099 17858.22536 18899.878 14097.16347 21200.53706 15498.02591 21247.08008 8964.602133 18142.48971 27385.38207 28864.36409 27250.26509 25600.66188 27236.29994 30351.25886 28661.02312 38589.20507 35675.60157 21268.80669 21194.42579 20198.33611 24788.29363 37782.96924 18462.88755 24022.73767 14451.79933 23860.30102 Pergolide 4431.9208 7621.471464 3207.17826 3972.589516 1958.406257 3182.341709 5453.379618 8747.837168 13361.14028 209.4379533 36.88162454 598.6292996 4.921288849 168.4982164 85.98075404 4.07813e-08 153.8233797 827.354163 1611.372999 1624.195632 2688.787989 910.6380807 494.927586 690.8773011 1795.63908 1542.147367 1239.77519 175.5327029 123.2873519 479.5815075 4.07813e-08 772.9526462 222.1320418 314.0809158 526.7467719 637.6550091 1808.847943 1734.396351 2174.25945 1998.299866 749.8147526 857.7712649 189.9993614 1665.915705 473.5181011 1244.528006 4581.582183 2335.485014 4173.798081 3691.141618 9.429143056 2754.130456 211.6421792 1411.00548 11,12,15-trihydroxy palmitic acid 3727.014166 1418.408141 5579.405989 4352.312906 5299.79917 3772.147353 4212.929736 4169.212913 1643.497863 7.045661914 4.07813e-08 4.810041958 14.3812618 4.07813e-08 5.53710767 11.0931445 23.663169 4.07813e-08 2901.39287 3333.065153 3722.726716 3382.364673 5166.315182 4319.62741 5535.653097 3160.769349 7977.231109 4.474442876 28.87323128 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.815663715 15.35965449 4.07813e-08 1580.020134 3975.636827 5139.335435 4080.821026 3750.930497 4270.4571 3870.739196 2391.328722 3875.186889 4028.792406 3038.960756 3302.882286 3741.474478 2571.277075 4.07813e-08 3755.382002 4.07813e-08 6233.747666 PC(0:0/8:0)[U] 171.444729 335.9444892 176.0177953 157.757993 128.0310707 113.8680485 168.0387362 308.2769812 368.657089 867.067901 656.7415156 211.6726474 1181.248068 4.07813e-08 763.659775 4.07813e-08 4.07813e-08 326.4402633 1290.1629 1084.007698 2273.112111 425.0957773 2773.840529 909.4156014 2175.934447 8773.522283 1308.247685 3842.766611 3225.358342 527.3396677 2025.302681 4753.683674 1223.210306 3766.099337 4.07813e-08 261.0372693 2678.154782 2248.429748 3670.988236 1493.049675 982.4999187 5184.734441 364.334562 9962.814066 9156.664082 559.9314339 260.5143703 1809.249392 1930.030174 3088.89172 6496.806733 1729.421463 2941.557711 1765.141335 4-(1-piperazinyl)-1H-Indole (hydrochloride) 2661.039208 1617.647437 1924.926874 1444.542601 1573.686309 2084.428173 2138.797172 1693.297923 1182.686573 261.0794623 420.6785316 176.3800539 495.8729095 45.79380723 564.4175448 29.71418985 53.37056254 117.1026108 4999.453427 5053.834529 4739.978904 4001.625537 5048.959438 5498.0913 4728.379409 3674.762212 5454.749685 700.7507714 506.7343529 206.2546059 384.9693245 969.6053891 185.7166698 721.1190727 136.0775948 53.55574884 2869.491694 4369.883039 3772.561031 4805.728733 4280.135668 4877.245713 4817.390455 5653.676815 6588.30954 5282.589948 3823.230751 3481.493212 2962.02324 3319.000723 1020.929399 2989.329284 725.2109849 4858.525276 Turmeronol A 2393.783883 2414.468269 5784.217015 4148.862097 4009.706161 9016.156897 6977.051301 5723.645222 5718.895991 295.342969 475.7872069 278.7963879 588.6564627 498.1073761 661.2298801 539.6750373 640.5776495 719.5992322 4569.696132 9163.921181 6714.32249 8336.64981 6833.924003 8682.587522 6210.730221 3389.323529 1816.960422 719.8202865 779.5457094 764.0447225 530.3926073 793.8968222 411.5454618 499.6551763 633.6139516 403.1551534 4796.82102 4250.853034 4462.151249 5688.172841 9896.154053 4114.446936 7258.357429 3157.325345 1474.481555 14452.18396 8249.496706 10497.87529 5423.994813 4538.281775 3486.091739 7775.679011 646.9951346 5129.478893 Sulfadoxine suflate 3891.011096 1602.166843 9160.808667 1562.53857 3601.89703 17931.39286 5232.171232 3760.265298 7198.309329 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17397.20913 31160.32056 25233.61003 24115.63673 41621.96555 57114.26215 23989.3158 5086.779134 5642.207087 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4243.390907 14188.78797 15075.87867 23635.00906 22836.34846 30103.73659 44797.27525 5239.427894 7789.276779 50676.78598 19264.85907 24091.30668 8248.296839 5157.128586 1834.069734 13554.67642 4.07813e-08 10677.96701 3,3-Bis(4-hydroxyphenyl)pentane 1007.816669 2988.900268 5694.553048 4324.440863 5716.837459 10539.40266 5942.140959 4684.891883 5844.694578 185.9521859 297.10444 244.5131454 164.4461478 243.9349489 82.01847996 169.6587786 107.1707965 149.7683147 7703.0802 5522.214603 8152.889881 4269.830313 6957.507534 5618.063971 5332.559472 2161.196369 1905.409294 168.4589164 198.5591649 279.0477639 292.497457 136.5784078 281.1994836 226.7673821 109.7136452 230.8526289 5560.793913 1849.803437 5723.044896 5891.382322 4288.925927 5249.886782 4941.506847 2202.565007 1056.696015 18598.38995 10145.41646 7476.280566 4973.755149 3027.392175 3297.606485 9832.178959 389.759239 7244.727082 methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate 2905.24834 2228.4485 2498.51502 2314.48671 1645.222079 3616.290048 3207.108023 2136.816081 1482.963432 1125.188244 992.5513102 415.173741 932.3591391 1077.205948 901.0780544 300.6992516 838.7734994 808.9332325 2948.294988 2815.141589 2476.005586 3685.998009 2689.529428 3564.180214 2018.756216 2947.276088 2195.20125 854.0878474 1203.512429 741.9630923 1486.35494 985.2565704 728.3017359 940.211127 1049.345969 1195.670297 4205.302587 2833.418143 2965.86079 2164.341577 3910.236245 2104.586272 4094.170229 2044.595065 2198.005741 1810.279388 2040.329208 2750.037511 2806.020501 2064.901052 1034.363666 2138.438294 1172.138135 2625.069353 (6E)-5-hydroxy-1,7-diphenylhept-6-en-3-one 4.07813e-08 678.0751966 945.9110927 1545.314809 1631.812584 2396.929153 1700.7729 1131.032603 1315.322761 4.07813e-08 149.2240693 4.07813e-08 4.07813e-08 4.07813e-08 207.2206409 87.45880173 4.07813e-08 76.043321 1998.224083 1280.419799 1578.932066 1252.156122 872.8904878 1154.254154 925.3752671 529.272541 4.07813e-08 4.07813e-08 4.07813e-08 133.3166425 74.80923435 4.07813e-08 78.82418603 4.07813e-08 4.07813e-08 4.07813e-08 1198.150556 366.5158345 1987.395988 1810.410919 1501.721227 845.898119 725.2194116 252.1956865 75.6492793 5007.586952 2827.861552 1695.93471 1194.927285 180.2042959 218.5971402 2072.432702 4.07813e-08 1084.495408 MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 218.7085628 4.07813e-08 4.07813e-08 4.07813e-08 596.8707978 4.07813e-08 4.07813e-08 1291.273419 258.3371393 29.00359221 55.95886725 4.07813e-08 0.904911955 4.07813e-08 4.07813e-08 4.07813e-08 64.40191947 4.07813e-08 977.879747 1774.076656 119.0373165 1329.097541 1887.191027 490.0130617 172.7796143 2677.59 1640.774548 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 75.60052128 4.07813e-08 4.07813e-08 633.6034795 4.07813e-08 715.4813642 4.07813e-08 Avenestergenin B2 4.07813e-08 4.07813e-08 4.07813e-08 283.2575087 4.07813e-08 578.8969182 4.07813e-08 4.07813e-08 315.6869081 1445.822805 4.07813e-08 6071.123212 940.1544904 8963.99545 7314.101272 834.2116111 195.2048927 28400.90904 1876.905763 1375.213367 4.07813e-08 4.07813e-08 4.07813e-08 1226.754907 657.3577638 1734.264034 867.1672929 7.750682577 1061.235029 4.07813e-08 1019.709118 25.18676993 4.07813e-08 4.07813e-08 4.07813e-08 473.1312913 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1634.467957 1052.127772 3158.212186 5911.725335 4.07813e-08 4.07813e-08 4.07813e-08 1821.554199 617.7646773 4.07813e-08 4.07813e-08 Maslinic acid 268.644411 4.07813e-08 4.07813e-08 26041.16851 389.33035 4379.650918 2516.055403 4.07813e-08 4.07813e-08 95.77049854 4.07813e-08 4.07813e-08 4.07813e-08 93.39572882 81.01792186 4.07813e-08 3243.446115 673.2340087 2687.164693 634.8505625 401.915058 18178.97272 3435.984717 13243.95212 1983.926389 4.07813e-08 2200.519139 4.07813e-08 4.07813e-08 148.3119569 145.411401 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 837.9746183 328.1670507 138.1268603 7469.743672 18238.06468 2395.19998 12708.5864 4.07813e-08 564.6730445 830.9449816 598.7409095 4147.792439 1498.096498 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 182.6522503 5(S)-HETE 9105.438655 8338.290491 9021.443116 11460.08205 8220.941474 11052.95979 9537.540026 7865.702472 8283.182446 4318.399549 3948.729385 2149.436603 3813.559443 3486.618142 2326.653015 3244.532574 2248.064072 2957.559834 10559.13095 10354.15756 8109.598494 9938.717057 10068.10472 12118.02316 9279.721014 10880.83945 7574.468471 3237.75988 3118.962758 3234.912265 3667.83309 3089.458205 3567.764054 2330.216578 3014.896591 2764.351422 8721.694201 9339.089546 8090.631616 7415.42573 10813.09948 9572.75688 12841.29057 9237.2204 11197.16724 7518.849082 8452.907935 9656.565299 7360.178695 5283.996549 2490.465053 8771.749544 5348.870796 8509.201131 Panaxydol 1223.135831 3082.92067 7374.890129 6224.680408 5415.522638 10764.50272 8145.100352 6506.814314 6887.186039 106.1162798 4.07813e-08 4.07813e-08 62.45677424 120.2860701 4.07813e-08 4.07813e-08 132.4263479 4.07813e-08 9370.841916 8470.840415 6730.118558 5211.359345 5999.843118 7679.303285 6202.30857 4053.764538 1335.83436 4.07813e-08 4.07813e-08 56.26901554 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72.46842666 4.07813e-08 4622.579223 3011.124996 4634.577761 3938.212636 5831.273403 4150.051591 5224.089308 3002.003357 1163.72 17067.01358 15106.31713 9704.274026 5113.568564 3217.524564 413.7025614 11430.32232 77.85557287 7510.799027 Cerebronic acid 3332.983685 3401.63383 3385.176253 3029.507171 2833.138957 2386.716661 2455.488937 2868.221326 2379.286568 2381.541908 2381.447607 2101.862814 2316.049739 1924.751912 1610.772552 2527.005951 2225.125945 1881.943605 1790.845976 1458.283157 1785.773886 2163.823846 1882.448388 2467.775111 2521.437308 2622.456778 2001.534071 2039.804937 2148.322942 2131.065301 2529.273459 2355.068938 2629.054397 1872.751011 2082.0193 2133.018873 2586.211126 1323.582909 2033.806673 1692.27161 1737.363955 3044.057138 1844.812195 2292.430309 2255.401544 2005.806817 2526.113586 1489.047263 2301.916777 2191.446573 1583.056336 2282.44762 2556.840676 3315.915181 Scarlet Red 4.07813e-08 902.7926856 10140.1783 213.4586999 4.07813e-08 173.0434881 4.07813e-08 4.07813e-08 4.07813e-08 29029.22002 28948.09156 7083.279771 28692.09462 9568.288685 3405.003412 50808.71872 23377.27802 7047.078171 2053.362616 1794.711401 934.7535405 4.07813e-08 4.07813e-08 360.9678996 4.07813e-08 27036.35247 4.07813e-08 3358.972748 7867.867754 27307.63823 2422.10836 12308.63783 25335.53477 1239.326077 37826.67256 5222.826456 4.07813e-08 4.07813e-08 264.2719452 217.0366962 4.07813e-08 4.07813e-08 4.07813e-08 19436.36256 2815.939453 4.07813e-08 2253.837646 5428.40378 4.07813e-08 1670.160026 2358.074558 3482.304831 16280.83204 4.07813e-08 11-keto-Octacosanoic acid 8566.157091 8757.490112 9670.991782 9526.712035 7788.354341 8023.039301 6968.144205 7793.710378 5730.276891 6051.438182 6345.365644 5791.949769 6366.548523 5849.259821 5108.661083 6145.379574 3643.832492 4560.953433 6078.846177 6495.878919 5278.406656 5523.386023 4787.387739 5269.495928 7677.181587 8080.122375 5990.630663 5998.590313 6127.112468 6906.239844 6571.982237 5860.918401 5077.152428 5557.140483 5569.50327 5551.484212 7346.747393 6084.660079 6491.574913 5758.831006 4086.188829 5671.516263 5081.45648 6930.126105 5992.96377 6256.322897 6707.046745 5997.76174 5844.824633 5742.889338 4765.124834 7371.908659 7788.716421 7806.592244 13,14-dihydro-15-keto-tetranor Prostaglandin D2 5312.114395 5096.607718 6095.728526 4928.519358 5666.528536 4789.484417 4211.514128 4592.040552 5049.30576 2808.389897 4166.137528 2897.696118 3421.722225 3231.554423 3039.873904 4704.853176 2598.164291 3454.268015 3498.454429 3515.665242 3579.179435 3598.083678 3344.483999 3578.683808 4190.404846 3924.671783 4099.599452 2830.390241 3990.224808 5023.449806 4348.052077 4092.452095 3284.07474 2866.209541 3567.779378 3666.318179 3801.538719 3767.015958 4569.913944 4100.737756 2955.400459 3015.91138 3889.259546 4655.401992 4722.107702 3910.850112 4208.564951 3719.708458 3608.100425 4773.314937 2883.654076 3657.850817 4519.670515 5059.495156 N-Stearoyl GABA 5072.726226 5835.390352 4678.384971 4535.53521 5212.630959 3794.558355 4603.588971 5458.856659 5006.02768 3620.125526 3573.252752 3109.215964 3651.120909 3189.735299 3166.174058 5001.744572 3812.194402 4037.937369 3374.45387 4286.228993 3678.925118 3831.382851 3287.516309 3256.24079 4640.742539 4166.99979 5463.266863 2911.314336 4155.354681 4081.063299 4637.550006 3377.234184 4114.508776 3511.77985 5749.242576 3764.330399 4370.060076 3960.775272 3957.841094 3397.130953 2496.029507 2997.909617 3030.401857 3913.825991 3427.798614 4095.584409 3596.128648 3614.141312 2666.196238 3534.942297 3376.376909 3902.577233 4516.970327 4873.873435 Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate 23695.92887 23506.2787 29490.64635 27618.27137 30636.49334 24794.10851 27973.33152 11253.8005 16666.55191 23947.82435 25295.085 18395.48133 21836.74776 23028.98561 16353.97726 22191.23145 10602.49316 15404.97988 17086.9897 20551.64402 19423.64316 21425.84462 18712.08462 19806.29353 6905.267881 17576.77173 17966.32105 17630.38723 19621.15749 26181.63924 22628.51511 21115.7806 9943.243143 10517.92322 12840.03257 18208.52678 23754.185 21157.29578 23365.55326 20995.78458 9369.86741 15423.90323 15400.13212 22368.91624 21619.44002 24100.3776 22303.78644 23735.85796 10525.28545 16570.4797 12962.01322 20552.02273 24978.70904 25872.89411 13Z,16Z-docosadienoic acid 34238.58723 33972.31235 40757.8683 34091.56774 36382.04225 28911.10166 37330.56745 33522.41534 30880.46148 43171.50638 33399.61584 24275.34574 27971.15491 46234.52186 20727.97633 47044.78701 24031.51871 32072.94209 25281.93746 25589.48356 20917.00237 23125.58204 23239.91393 22697.60579 29524.83988 30281.15083 26885.34196 20926.22664 24267.55623 32507.5535 37605.68099 25126.02325 21817.98115 23030.81644 59253.67721 42086.31774 29129.43386 27829.86479 27036.015 22759.53838 23410.62598 26269.17203 26133.68882 29324.54775 25652.73237 31214.6075 28536.48237 30517.22501 27473.34302 23006.51052 17406.89365 26101.10019 35853.32797 33846.55517 Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate 37441.2523 37701.54853 43608.40929 40248.07083 40910.317 35189.33149 38717.24264 9944.021481 18629.49079 27810.43853 23531.45669 23351.84184 26915.43422 28863.66961 22743.77815 8835.156 15592.07289 20893.13435 25786.00875 24158.66279 25458.70078 30318.82614 28354.64516 27408.38491 14594.71719 20092.93745 18713.30751 22475.95053 27986.84447 33697.58016 29349.66933 30351.87257 13245.58774 14102.11191 20202.16933 31257.07215 31908.0608 29641.62346 30418.07949 28133.23282 10138.92791 15176.87067 20850.03444 34220.46709 26896.73066 30055.33917 32094.3782 30220.3649 15387.88244 19594.86411 15540.39133 22685.79893 30520.87487 36771.27376 16-Methylheptadecanoic acid 7572.14971 4958.008283 7406.54901 6132.849908 5581.45123 6406.7363 6601.174917 6591.35237 5698.795048 4766.428765 5209.962218 4224.078983 4644.265039 5282.160636 3284.859598 4420.64068 3980.577183 5031.914694 4889.487541 5080.86755 4159.039539 4646.050624 4621.031881 4865.025969 4639.442392 5254.686727 6780.933717 4640.356295 4307.24142 5845.200218 4454.030856 4834.528325 4546.471731 3281.245942 3613.59224 4971.500252 4751.558363 5956.398557 3847.071049 4191.136029 4337.06062 4039.420762 5373.077395 5443.821264 5974.374259 5739.432908 5111.192381 4997.029531 5330.193559 5434.440013 3817.017445 6003.821108 4998.000167 5902.727289 2,4,6-Triethyl-1,3,5-oxadithiane 2096.754277 2203.90774 2661.2347 2270.912963 715.8030716 2900.979656 1092.730632 1598.801629 1130.961861 1733.644905 2022.005043 1760.257307 1851.523424 1138.947701 1439.872625 1500.846606 870.6666591 1850.518625 2409.303958 2588.190246 1828.077076 3570.437825 1244.775274 11728.67244 3462.943529 2734.994186 6140.246509 2612.498061 1896.637522 1382.103831 1656.744537 2605.236585 2269.151137 3111.223877 1721.529329 1270.242122 3013.446639 3752.90828 2469.429439 4891.448299 1520.090416 2094.117931 8798.557955 4441.475295 1694.613192 2371.386499 2036.570132 1949.678064 1459.853424 1760.651322 1904.587368 1500.622306 1816.265488 1649.630892 2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyloxy]ethoxy}-propionic acid 4.07813e-08 190.7196875 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9755.761503 6838.38329 4781.690392 10039.16736 4378.951887 3492.649025 2839.650217 6185.970741 5854.904495 42.20262979 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5673.429128 5410.087047 5202.975418 5114.463585 7390.856365 4039.22663 5718.412407 3406.743636 4082.522424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 140.2234054 4.07813e-08 4.07813e-08 59.07869046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.44419203 7516.23225 4.07813e-08 6572.819234 4.07813e-08 Pentadecanoic acid, 3-hydroxy-, (R)-; (-)-3-Hydroxypentadecanoic acid; D-3-Hydroxypentadecanoic acid 16743.22825 17080.81685 16610.14456 16185.15421 15096.25969 12986.49056 12331.27137 18393.65887 18359.60054 10115.05608 10394.84307 10038.68521 9243.379546 10052.01668 7723.655481 14829.5337 11124.65157 12109.21565 10739.37936 11354.88131 9700.559239 9981.459176 8615.611582 9357.401175 14112.90103 15179.87706 12639.2531 8323.72809 11259.21435 10497.55882 10649.45224 8846.327706 12029.29847 10589.69142 12419.25194 11708.75778 12486.1513 9942.691516 10769.3544 9205.802611 11855.29304 11403.34523 11187.38953 13468.75824 12284.6843 11808.4332 11385.65613 10519.93255 14794.57778 13681.65567 9132.044068 13446.4016 13505.58867 14710.74872 Carbosulfan 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23970.84947 20250.61183 11807.21839 24042.38655 6716.948624 16172.58617 8763.498612 7417.018316 17169.43994 4.07813e-08 4.07813e-08 4.07813e-08 98.67962916 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21316.18732 18886.88617 18658.43158 10800.6506 20236.92902 11928.01996 22343.88201 5738.052316 15503.30111 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 190.694841 24923.17869 4.07813e-08 30279.89035 4.07813e-08 5-Acetoxydihydrotheaespirane 2663.288061 2112.417108 2361.003948 2182.887918 2137.002124 1426.479113 1958.125904 2419.752737 3070.638107 1529.665106 1098.669062 1194.939623 1300.271786 1418.55197 1044.814806 2278.212627 1634.494328 1890.297221 1352.284012 1727.602944 1228.805357 1361.717742 1076.673794 1307.310579 2371.898691 1838.940818 1280.856875 1078.414546 1533.758066 1517.485706 1790.403271 858.69881 1647.222334 1145.002042 2042.42355 1642.26529 1811.19056 1674.585734 1587.685354 1266.622256 1489.157849 1869.711184 1552.888615 1954.876389 1543.114234 1452.261329 1562.163277 1175.053437 2085.197795 1857.832289 921.4965082 1979.260025 1618.373438 1930.78577 Diminazene 11.09853355 4.07813e-08 32.79287608 394.7574764 412.2481898 366.6061587 806.875312 190.3625118 136.0005367 990.2444837 3071.185662 1153.253564 550.8042497 546.4891177 1915.636678 249.9673787 3.993272244 0.486642364 640.5963949 2252.452436 25.21387272 601.443857 2264.709963 2556.376617 1495.173021 4.335273228 1923.969489 299.3686458 1313.337379 854.4755065 9.568576656 4.07813e-08 1210.526513 1291.45066 2707.599937 2556.422574 675.2945372 1155.3606 5.653532655 752.4136343 601.6665444 1261.594253 2292.729263 364.6161501 911.4173691 1561.6046 1944.8158 364.6694191 0.277546921 258.3227148 278.3047327 536.8723319 332.5100161 1285.135442 5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dione 2445.457516 4282.774988 851.4022834 221.3448318 302.4020558 1374.270789 3502.024429 2740.407938 1696.994279 10268.27196 7977.116633 5222.059273 10982.48486 4438.605122 7078.240869 2389.41419 4720.956268 10119.67545 1310.33146 374.7249273 620.0971249 584.2847994 514.8686618 268.5424416 457.8487312 484.5333525 89.84130683 7061.899341 7668.785921 3975.021924 5995.864853 9493.438503 6724.851486 9804.920735 3441.614598 3169.283754 5276.10011 814.3913238 1234.32575 748.4618894 717.9129429 857.2460692 631.1950247 813.1201352 277.6672887 0.055594062 3.754663158 440.0369198 2055.1025 4427.034767 10576.83342 1440.940107 7845.109065 456.350088 Annolobine 9555.980836 6191.467044 6638.413288 4888.687433 4239.88067 5367.039147 6695.002152 9975.55988 9567.76349 3147.060222 2802.073419 2219.386439 2333.866254 2084.594756 3366.875676 1567.682733 4923.391296 3591.126338 12968.17491 10028.5884 10250.08611 9383.630697 9541.042809 7167.721793 9652.109282 7030.065814 10343.86201 4327.284392 3423.240107 3320.164904 3502.939296 5319.756264 2946.756307 5402.30856 2871.760663 2327.193128 8083.123671 8491.32364 7959.069837 7707.722621 11136.54586 13399.4298 6794.535307 7836.498618 11212.98661 8374.053522 6528.354695 10091.37388 10289.06055 6693.374018 5414.174092 10735.229 4335.723339 8998.081119 Neoduleen 7382.514642 6366.948486 3613.913917 4261.095419 806.132351 1735.958099 3723.839263 6744.397748 12473.1631 7110.834605 6184.803397 9579.265493 7707.19571 8009.226166 8470.69256 12252.44398 13422.18919 22030.23762 1414.234227 654.1194346 588.5287727 740.3822085 175.9807153 956.4963964 1180.553359 1732.471091 396.9255597 22557.3079 11870.0191 12881.35299 18699.73841 11327.60145 15258.99568 10955.30649 13830.46924 11205.41548 9898.949449 854.200933 697.5728898 930.6789264 632.7910172 395.6454006 942.1520899 2078.477158 389.5291759 214.9168659 4175.462087 3932.092447 4040.215961 4664.528065 6850.812907 4102.456399 15860.81121 1659.709759 UH-301 745.1804467 485.4834038 238.5504118 546.159855 271.438057 1037.899602 1162.947142 2619.390142 2717.130171 14215.72958 21985.52838 23873.86653 5272.325595 42792.58244 19515.28094 18930.32006 50318.90238 8495.132855 17.04120439 11.00181048 223.4221844 52.48547042 8.608103119 153.4933106 44.1698499 4.07813e-08 4.07813e-08 17709.05939 29024.61514 19842.78338 12367.57752 40329.74401 12427.93465 13119.57753 29402.44646 13966.95498 4.07813e-08 82.40714395 248.426429 5.923326224 6.057446193 43.8447452 19.43791928 4.07813e-08 65.87815395 4.07813e-08 657.5495125 374.3744425 566.293931 966.8912652 24901.91069 605.5798404 2182.103601 5.770543932 1,5-Naphthalene diisocyanate 1.08577363 2500.798052 4.07813e-08 3.102753432 1.146082048 0.021398524 979.9422876 531.9751514 92.99578833 8640.512391 7779.993417 6624.331705 8545.576843 6845.859938 4268.852898 4139.273436 4053.19939 8677.687896 2.098122294 0.120655043 0.042818334 0.045614445 0.634559655 4.07813e-08 4.07813e-08 0.00372533 4.07813e-08 4542.6168 6693.119139 9329.123291 4169.528029 9345.649675 6944.745 4358.659873 3433.661161 6069.131791 1.193662373 4.130260392 0.714826434 4.07813e-08 0.490061202 0.575549319 0.454569609 0.167112962 4.07813e-08 4.07813e-08 0.16605651 0.069187329 84.57961164 1247.757754 7752.200909 1.338164819 5684.465203 0.225167652 Orizabin 635.1012029 227.1213465 14.83478746 607.1535952 444.7954083 590.8404127 731.3414409 1458.331386 195.8279526 1519.846505 1100.161545 483.9947824 2092.536002 110.4587451 920.8997436 1130.174352 547.1489788 523.4847056 244.880693 648.8711692 294.4052686 1028.0942 763.3571015 620.2889789 413.4572389 100.2963858 661.784586 815.39425 1743.986438 295.1211909 524.2351784 120.3321826 491.6217718 7487.733147 1082.7083 1051.928729 450.1218668 346.8911883 81.03086889 430.3356152 394.5463531 316.2390768 713.7958264 211.9169149 1118.88662 214.8290423 626.9740465 43.59479866 1231.6661 2258.435712 483.3991031 582.4677325 903.6091416 807.9012421 LysoPE(0:0/16:1(9Z)) 270.074727 770.3832705 191.9230504 94.87740917 325.1579352 252.1710821 580.9658201 450.07174 1813.681827 18919.89481 17723.20967 15532.52935 20140.83753 17459.63412 11610.06655 10011.26747 6964.019703 27733.21328 139.1686738 71.97044826 163.4689261 4.07813e-08 28.95172557 4.07813e-08 4.07813e-08 4.07813e-08 230.1956108 16546.63636 25494.26714 32639.05404 20902.72665 54363.609 31710.18925 20457.72971 3964.975094 13913.84669 4.07813e-08 191.3802231 310.1725457 301.2148478 4.5548169 4.07813e-08 229.6695211 4.07813e-08 4.07813e-08 4.07813e-08 267.5392104 256.6543607 890.9241843 1005.491285 38542.01357 733.9960935 31210.65734 4.07813e-08 HETEROPEUCENIN, METHYL ETHER 4072.465686 3119.30559 2818.85956 3093.833821 4475.793627 3228.469507 3389.720319 2783.387715 2417.768969 270.4332138 4.07813e-08 163.243482 340.4331143 0.033522471 511.425442 296.8651219 93.66564344 40.11046707 7283.119063 7300.172512 5251.074699 6878.595563 7748.784294 7514.811664 6764.088916 7432.010547 8763.693979 152.1274392 274.9923075 225.6557588 222.5870196 479.7334074 123.3879883 4.07813e-08 448.593925 4.07813e-08 5378.218677 5446.984303 4672.872607 6331.48938 8024.548878 6225.89629 6249.927141 7657.068039 11489.4138 5476.698134 4475.966604 4035.163563 3165.821295 2408.790408 301.2993607 4158.906586 303.5829499 4825.080637 TEGASEROD 5127.051291 4639.309213 4744.071455 3038.683869 6377.384212 5598.472106 5475.865184 1858.66377 2005.911002 1684.459486 3600.486161 1059.702065 2215.646043 1336.774072 6948.217374 2275.112759 413.4872634 740.2580305 5467.018629 4323.013318 6447.977091 4057.688057 3686.328353 1830.001148 3542.639439 6451.95317 6314.980977 806.7196967 873.2234687 2147.048898 867.0589762 2157.106873 1621.505559 1357.922861 827.8151398 1949.149435 3638.054837 3214.978526 3973.112354 3275.090637 3574.925731 4217.89813 2068.577184 15273.26475 4550.377525 3263.896274 2494.171037 2800.608025 2992.542839 2808.359794 1575.139907 3474.579756 1963.396959 1986.287437 Monobutylphthalate 1954.306627 2119.417526 1732.763235 1995.725586 3154.07344 2052.876745 2121.82532 888.8843955 1409.087874 918.3180735 463.1456546 1153.05484 874.8651548 1359.187612 816.5224509 823.7307266 978.8140846 1304.158426 3135.689951 3223.661962 3145.536089 3367.172964 2938.211356 2722.154944 2717.505486 2627.480653 2135.119728 711.3648601 1109.009015 1665.009976 852.7906151 1014.196803 942.4869159 509.4965586 471.3486049 1353.415628 1986.42709 2463.558876 3269.045405 2925.862294 4021.757613 3250.040292 3440.767572 2647.459812 3103.567048 4005.32642 2243.543305 2433.85018 1442.551096 2271.927664 1181.67155 2382.898787 65.34788412 1844.586146 Bisphenol A bis(2-hydroxyethyl)ether 4031.430736 2354.885312 1972.030745 4418.526857 5351.390072 2871.031336 3905.608815 3409.699292 1556.138554 585.3181564 917.5622048 6937.512517 1129.687397 1232.807996 236.5794569 598.673917 482.9109089 662.8822377 5074.641139 7057.131836 6433.668176 6069.311457 7530.569279 5802.236231 6010.954269 6245.837693 7081.278486 597.3543316 606.9450702 1080.299244 461.1446449 1294.859141 945.4108992 1526.457127 540.5175569 252.5499754 4909.929418 6361.494106 5795.576842 5991.034954 5754.312074 7777.199496 5219.248818 6498.632534 6172.546662 4613.055368 3766.744931 4949.027911 4085.591984 4151.406486 672.8735016 4432.754064 1465.227473 4684.765164 Mefenamic acid 1286.825282 634.0315081 1796.06169 1691.157034 1153.137397 1024.739664 1508.816921 381.5307708 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3633.265267 3722.55954 1498.853053 3314.530933 2727.241544 2974.67055 3924.292186 5550.452921 3675.809779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 111.9619081 4.07813e-08 4.07813e-08 2354.642491 2153.509733 489.5369499 4449.219978 3110.120661 3647.940846 2561.727066 5798.848666 5029.135037 1745.78714 1857.678794 1057.786453 942.0067594 900.1792855 4.07813e-08 876.2295375 4.07813e-08 1607.696967 16-Methyl-epi-nigakihemiacetal B 3089.791682 4603.87382 1986.89404 2669.90168 2132.393484 1597.104134 2224.804692 6346.98911 2832.12309 11348.18183 8730.012599 6003.636761 9654.073619 3510.157079 8610.981751 3284.422093 7228.146183 10320.69948 1402.583441 729.5728554 1776.521912 725.9696719 169.3814386 817.9743794 1225.447156 2143.746726 868.381195 10507.19075 8108.041059 5480.643154 8856.471105 13098.91987 8538.087254 11988.13361 5534.273466 4067.919926 2043.46972 1385.603615 2816.986732 2370.55163 2060.599858 962.4050189 1988.452107 855.6181432 141.178753 688.3117094 1242.743429 724.1362386 6935.415718 12920.53068 13484.12779 1543.374587 9238.046915 1229.411356 Dichotosinin 4.07813e-08 344.6018039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2472.478451 4877.119183 5782.454852 1411.216316 2998.92935 24226.54118 20133.19695 5853.130802 10521.23416 4.07813e-08 123.2875874 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 324.0422254 3027.106539 886.2814555 4994.984233 3986.076815 3308.590228 8769.086929 2240.093044 3785.068408 4.07813e-08 228.1064104 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 215.5431736 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4812.025461 4.07813e-08 4.07813e-08 4.07813e-08 methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate 1428.39929 1330.002761 876.3552826 932.5708232 1130.341209 1735.78551 1972.630058 2046.300384 2115.41364 4683.038457 1826.113192 2896.993283 6465.505851 1441.091871 1509.182464 749.4752614 6259.523871 3279.095153 932.1110372 593.9741353 780.415746 1117.553588 721.6913761 430.0480832 4.07813e-08 435.166025 625.9944611 633.7071299 2431.040247 1677.213499 3796.023036 4184.352812 4220.029055 7140.046692 2681.388833 3783.748189 900.3484685 1199.248003 442.3639592 832.0548096 829.9731058 1425.769529 749.9177965 869.3935075 4.07813e-08 1341.026032 539.217846 1171.87808 2248.113117 688.6130793 6764.998955 931.5418559 2315.076671 1312.1568 14-oxo-DoHE(1-) 3645.857817 3037.194941 1843.074592 1934.24581 2404.253843 2159.716563 3841.080824 3984.367899 4505.699013 9193.905424 10350.21634 12069.07001 9167.975852 14858.54849 13337.33744 11676.96242 30419.24987 7457.923281 4299.51911 9217.545554 2871.316808 3897.591764 9024.11557 9811.479554 7631.168943 5710.580319 9444.042629 20206.23476 16544.61509 11512.04629 25090.00027 15069.77443 10633.51986 9411.941369 24078.14465 16079.60808 3309.88263 5268.764527 1997.13132 5603.776444 5281.000896 7403.419707 10379.34616 4057.905615 7764.051119 6321.752001 3374.119634 2962.576076 1438.595672 1460.574454 15289.68742 3772.06732 31039.15549 6732.108515 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone 5-O-rhamnoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23713.46828 21557.89195 17384.47649 29019.24745 10206.2382 6241.59998 4007.95855 1321.408954 2458.193469 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8941.482203 21450.1099 9672.14025 13039.00564 17027.90753 8146.638353 10095.90297 3586.6946 11985.72153 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25528.08596 4.07813e-08 33335.6312 4.07813e-08 Chaetoglobosin N 68.26824324 2702.687463 4.07813e-08 124.1450272 616.2836916 237.4539533 919.4416201 4.07813e-08 2075.281109 16699.80275 17092.75122 23224.2696 14473.52072 33879.17989 28358.97691 21277.948 40143.40037 35124.78788 4.07813e-08 136.089604 545.335044 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16416.14507 27543.05181 32793.92604 19891.67849 45843.43865 21106.86129 17306.30557 10932.38807 21747.96134 8.590999327 4.07813e-08 296.9573284 2.753792486 4.07813e-08 4.07813e-08 4.07813e-08 110.6640156 4.07813e-08 209.6557148 3359.778476 430.862034 5052.069886 1524.729655 39257.50386 296.9155762 11215.27009 605.9428738 5-Hexyl-2-furanhexanoic acid 3184.585363 1747.703147 4124.948441 4052.702471 5579.385875 4315.194119 3916.015651 1775.788978 1340.995616 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.94410175 4.07813e-08 4.07813e-08 4.07813e-08 5653.507743 4844.659301 2940.063022 5118.846675 7158.08849 6099.329332 5208.084265 5403.123235 7086.204392 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2553.487224 5292.832274 3691.054569 4333.185538 6535.445185 6280.729997 5895.658288 6279.461158 6481.318809 4658.039141 3298.019797 4009.443846 3082.313163 1070.241662 4.07813e-08 3315.668059 4.07813e-08 3689.050756 Promucosine 603.2984846 582.5133303 1237.334055 1834.190739 2427.172569 163.7916381 2924.9166 1037.203078 638.201518 138.4927863 57.6868 231.7089918 61.46169788 344.1592295 215.9374521 32.50239974 74.21586293 116.9116957 1221.942146 3375.242751 318.1063529 926.9505576 4032.416086 11682.7847 3616.684913 2017.037328 5106.631481 148.8535062 29.52845172 533.3375719 12.45591785 156.0582662 281.8520291 30.19586009 742.2552471 15.91581057 1193.749551 2399.537044 1094.171804 2124.065398 1068.882646 2307.45783 10764.4765 851.8889247 2839.314638 3569.696342 1799.72997 336.1135594 647.5875693 49.72815129 773.705315 35.15661933 20889.91998 6657.4009 avobenzone 260.38485 162.4202054 112.313084 364.7787449 115.4419533 4.07813e-08 3.345595055 136.2046562 150.5920997 6216.252792 3006.936517 3048.790258 7309.508917 4060.980197 4862.871918 523.8280817 342.4264186 2106.524871 355.5487576 603.6920535 188.0213848 46.76475743 496.4640439 501.0584005 731.1975855 574.1518482 1036.761205 906.3119995 1845.671938 367.5547048 529.003725 459.3393257 2770.930391 1198.551765 402.8191167 656.6194602 95.9484769 125.6915312 324.7489575 351.0478367 586.9133596 438.0795601 186.9997836 169.5801904 539.2132693 2.996663358 4.07813e-08 423.4229042 14.12444437 268.1248018 2253.106844 194.7059178 118.0292434 273.0051952 OHOHA-PS 287.8947137 71.60238911 4.07813e-08 953.4036818 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 527.4548853 2833.504941 3345.796486 8675.663986 690.8110928 252.1996244 37279.5257 22498.22149 15956.53368 5009.102225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4678.647923 8997.981856 3124.6668 14581.22105 1885.902298 9235.965532 12363.54599 15433.67644 11334.06795 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 381.3946065 4.07813e-08 203.4782852 817.0181507 4634.744361 4.07813e-08 3921.549561 4.07813e-08 Myricanene A 5-[arabinosyl-(1->6)-glucoside] 2252.775609 699.4925947 818.8456494 622.2723485 807.9202286 775.6078025 1357.799612 2704.037667 2740.652939 4.07813e-08 649.7699453 1675.268617 231.5761421 4.07813e-08 667.81356 632.983183 2021.050558 1999.800147 14756.38506 9967.664184 9113.774399 11925.97617 15326.31237 12244.56809 10202.33016 14080.08159 9558.423245 457.7186389 567.6690144 1902.294256 395.3310007 3720.322372 218.5347935 4.07813e-08 4.07813e-08 2129.673164 3727.88513 7757.101817 5719.497466 6419.020004 6779.332342 9175.507191 8751.749963 9463.210611 16804.47821 8411.931276 5384.479453 4522.84849 4485.456938 2703.000683 453.8717025 4850.020294 4.07813e-08 4055.024254 1-Benzyl-1,2,3,4-tetrahydroisoquinoline 4.07813e-08 4.07813e-08 186.872688 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 890.9453374 393.6083392 390.3970925 749.479558 211.7490168 211.5027093 727.3754932 493.8267886 496.1176873 101.0805707 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 131.1605513 81.10265472 4.07813e-08 4.07813e-08 706.6971408 451.8598859 466.1330994 638.1599898 200.4185136 174.7646861 4.07813e-08 177.5240434 681.7061028 185.8044763 307.7544427 201.5357338 4.07813e-08 163.6710376 205.8008178 407.0413802 4.07813e-08 321.3834707 Carnosol 6313.467247 3851.635188 4531.323423 6168.635569 6768.463738 6055.741081 5759.718027 6181.637357 4956.225839 1238.674118 1330.719942 639.2645159 1612.206687 582.0554837 1379.598615 124.6439321 448.5391564 1716.751517 17106.0452 16833.45649 21582.24873 13867.04955 15667.76388 17538.63435 15425.97683 16632.47535 16924.15155 2042.849547 1698.308772 1708.38706 1331.425253 2670.09961 1489.915077 1957.999963 978.2620758 1151.478155 11025.77959 14013.49845 10606.77765 13433.3006 16571.22334 16353.1134 15360.1084 15590.77655 16348.92111 11859.84702 7701.037647 11250.35864 7981.59174 8482.597543 3996.079084 9727.505303 1492.281708 10225.40983 5alpha-pregnane-3,20-dione 13713.79877 8618.993775 10535.94354 4754.308692 7864.21645 13189.72617 9444.385006 20910.96458 15628.53093 5709.783814 2943.703847 1534.127488 5096.309961 1261.99188 5157.491206 587.5531064 4863.502978 5723.722577 8125.754645 13093.94135 7297.217544 9726.735506 10556.16421 9938.027414 7705.53789 9573.03129 11178.14379 1605.02549 2166.844285 2029.896567 1360.106918 2095.436873 1131.759674 2121.823957 2805.184216 625.1029268 11989.93242 12650.73293 10886.33037 8397.844487 8907.866631 10092.80439 10260.67296 10136.17962 11747.84871 10920.0597 8325.95108 7882.860544 5750.493179 5404.345984 1697.614318 6178.64848 1503.024126 8992.184557 Barringtogenol C 889.6898317 250.6384095 174.1584987 538.4439026 661.0535038 1219.521194 3348.312532 804.8541533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5910.410406 2551.00607 2881.459849 2134.407737 4895.241417 10681.38379 3710.926383 3054.451174 4310.926797 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2041.045778 2159.660522 1808.525748 4388.639496 2117.567347 4179.601999 10067.17267 2560.419307 2601.987462 3142.752589 1559.052412 3068.36676 3057.96119 1993.79699 405.9169864 2764.566744 4.07813e-08 4435.319932 (3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1->4)-[glucosyl-(1->6)]-glucoside] 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1032.874781 4.07813e-08 4.07813e-08 4.07813e-08 555.2116662 29357.12586 19918.7759 30847.22571 18454.4637 19666.05183 22060.7922 12083.30051 24388.972 39859.45452 4.07813e-08 4.07813e-08 4.07813e-08 751.5571941 4.07813e-08 4.07813e-08 4.07813e-08 34.16910689 955.2012092 2569.014091 29610.67296 33156.21474 13850.11151 63124.18238 21919.1344 3027.842962 11854.43194 27817.57442 459.7624278 4.07813e-08 633.1422617 4.07813e-08 4.07813e-08 582.0475727 4.07813e-08 102.6434153 898.1149744 4.07813e-08 4.07813e-08 4.07813e-08 458.1596963 4.07813e-08 22140.50976 959.7427438 48054.64942 4.07813e-08 1-(2-methoxy-13-methyl-pentadecanyl)-sn-glycero-3-phosphoethanolamine 11764.3439 14329.89492 24983.71577 35288.8563 36113.25838 21199.13088 20925.48125 7605.9159 6014.994163 4417.484224 6566.425109 13252.651 4410.794818 16761.48281 8706.556587 9927.963272 3255.471368 2266.218128 20844.69371 21977.15206 18419.49375 21872.83465 29412.18096 23000.33345 23129.96939 22768.26068 26975.79128 3469.054684 6342.749302 14869.65266 5765.032521 14595.64502 12911.18922 5138.342276 6767.38064 12665.11383 14349.81261 17682.80038 15358.94425 20879.00973 25256.34339 26071.7592 24005.25953 19164.56741 24997.89644 18382.73441 15123.89917 15008.85867 11023.49068 12153.50969 6850.034535 17434.54784 7010.356202 17201.55996 PS(12:0/15:1(9Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 376.0389219 892.3845323 10530.36176 10305.33828 4245.817136 9470.613156 317.1323572 28704.37569 17171.60922 9128.813376 2213.889146 4.07813e-08 4.07813e-08 4.07813e-08 156.4669059 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5848.809458 16059.5179 4340.099831 29027.50035 11269.66529 8160.691528 21726.26368 19146.72571 6267.710267 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3674.516969 4.07813e-08 3480.795789 4.07813e-08 N(1)-acetylsperminium(3+) 1662.871157 690.8482921 1861.857326 1129.64156 2514.154593 2180.721583 3066.106709 1230.985146 954.2527869 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.168635298 2389.385244 3390.423728 434.3411048 2428.582661 3099.558649 3861.166096 2560.206255 4595.213925 5150.731918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 767.3531266 1645.536713 505.7835547 1534.753148 2426.544776 3087.765797 3308.833121 4224.971848 3579.050211 2591.418573 2739.053349 1343.312124 845.3837207 266.7799313 4.07813e-08 1477.504826 4.07813e-08 1725.438201 6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone 309.4854957 196.0791214 473.708037 579.5466466 284.6929593 4.07813e-08 4.07813e-08 267.9111179 496.5384161 0.02707501 126.0578013 4.07813e-08 4.07813e-08 64.2113347 14.1777259 329.5819449 4.07813e-08 236.6793178 2899.869438 462.6243249 3603.325263 1506.025894 190.6796222 4.07813e-08 196.963271 3072.0341 594.9999097 866.9931096 338.3074986 854.3034103 1227.067567 851.1027107 283.2595199 703.5438227 586.3500406 476.7137269 1877.560258 1563.372456 2655.738514 1943.635766 2354.640966 1042.509924 4.07813e-08 2481.344682 2655.217925 4.07813e-08 94.95366182 1818.04995 1655.22422 1911.757292 298.9186968 1551.455815 1073.975195 4.07813e-08 Theasapogenol E 321.9711719 4.07813e-08 4.07813e-08 863.0492069 46.51887928 1245.146953 594.8543746 178.6192493 584.3218327 4.07813e-08 4.07813e-08 313.9562671 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1012.431222 38.72525442 1144.141614 428.780541 984.6119732 5875.232699 16034.90383 4490.337909 20441.17276 337.6979907 4494.30296 4.07813e-08 4.07813e-08 663.9214359 4.07813e-08 203.909684 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 477.3642452 1845.362581 3504.76699 4553.280684 9829.872925 4435.712276 4.07813e-08 644.9804547 1857.605825 1115.253109 679.7189125 1203.073137 547.3931951 4.07813e-08 489.9743315 449.2444779 4.07813e-08 Methylprednisolone succinate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 48.32621525 4.07813e-08 4.07813e-08 4.07813e-08 15161.36076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22871.53264 13502.21712 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19156.59499 4.07813e-08 5789.580377 4.07813e-08 9573.102486 8240.943703 4.07813e-08 43337.22052 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 Blumealactone B 8818.68246 9121.577012 8407.596218 9025.837984 10726.59158 10263.33018 10584.60373 8418.855321 8770.723007 2004.300778 1811.048595 1202.237545 2770.172243 606.4894794 2150.842713 324.108188 4.07813e-08 2471.968857 21238.06699 21154.1794 19178.93212 17938.9887 24049.11474 19611.83118 19154.87771 19852.04534 18757.13765 4.07813e-08 2980.240883 2988.216097 2162.592945 5567.341713 2658.256592 3824.530246 4.07813e-08 2240.788547 15039.83665 19033.48794 16207.51204 17935.21254 19764.28302 22442.74668 17820.82105 18089.99225 25225.59827 16822.7325 12086.3313 15839.50027 13903.49619 11541.76302 5772.897938 15244.97568 4509.244726 12302.73856 talinolol 8867.029141 7533.138742 5327.875032 3235.807621 3137.566366 4529.941304 5342.879874 7262.181195 22762.27976 4755.819891 6284.304147 1546.126323 5346.921191 860.1763131 6729.695358 612.9488997 275.2816503 1849.441983 2602.962731 827.0892643 1858.538205 2086.053191 2379.444393 2392.460728 1917.297711 2642.211648 4038.568035 505.4125757 2251.670969 1822.319106 790.7708642 2745.670506 2342.294264 2134.969546 521.0421761 1853.576986 2533.581359 2140.616674 1560.510249 2291.727553 2146.087561 2385.663048 2145.902727 1984.698603 5923.991696 789.6786176 462.5854025 1181.59999 1350.87626 1079.698647 1407.649856 1660.75588 1452.909269 1708.585537 Gambierol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39.20775299 4.07813e-08 4.07813e-08 4.07813e-08 78884.29263 41363.8054 381598.8952 70024.95223 652125.574 275209.0865 321234.8714 432398.2669 304792.6682 4.07813e-08 4.07813e-08 4.07813e-08 29.85786492 46.02123135 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128047.4002 43649.84447 5.534601671 45187.32436 6425.506005 4.07813e-08 25049.47048 117808.1156 16744.72413 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17982.12849 4.07813e-08 2625.046287 4.07813e-08 113245.9739 4.07813e-08 4.07813e-08 4.07813e-08 Prostaglandin M 3829.687833 1604.83671 1343.587402 1883.466953 1871.146594 2545.142837 2078.200179 3023.88102 4773.48616 171.7907165 962.100204 31.02787918 1.398978329 1118.039565 4.07813e-08 1837.379648 560.0115421 1210.374363 1474.36134 975.0354108 2066.385897 2664.586271 2437.252928 1439.883719 924.6455243 784.8260603 1496.104587 4.07813e-08 268.9927512 1635.635043 774.3702218 6848.667333 1067.155165 81.02054244 19.03582298 2882.320084 3581.434809 1142.614247 2007.77804 1357.481228 1526.477322 1949.49425 808.8998824 1512.875101 683.3870431 1712.436803 4450.297037 3125.461938 4537.30347 4106.871358 433.8124067 2808.233193 864.1490105 3121.181903 Bis(2-butoxyethyl)phthalate 29073.34204 25876.43729 28468.64777 31622.96591 33298.34028 26544.65885 27057.91632 23986.15719 24398.65847 2666.829231 1224.681523 958.5400549 3919.480914 2533.68565 3392.088514 388.7407506 683.7836984 13474.06315 23302.65897 26218.74546 21199.99649 25583.07883 26447.94667 25741.53137 24183.51333 17272.39937 19566.97179 410.7344887 2233.915282 2877.682603 1261.180078 3719.780573 1199.794776 2174.489953 547.9877841 2993.568483 17348.80083 23594.29699 17605.46323 18606.13285 23584.71719 25014.7295 22144.35336 16724.70836 23837.79413 23399.79724 19373.86383 19610.9528 14700.50175 10516.99565 4677.755574 16854.37578 2573.687133 20113.02931 2,4-Dimethyl-5-pentylthiazole 3781.028569 3138.896307 3068.857951 3306.983941 3203.993548 3026.745173 2618.513206 2272.791962 2649.65779 1811.211385 1979.50674 1731.014608 2356.671382 1747.369673 1586.748068 2583.382069 1710.835891 2221.024679 2173.592009 2027.418903 1935.851463 1952.040842 1433.044555 1899.208969 2272.379638 2269.575346 2355.684613 2059.58327 2060.379626 2879.027721 2745.33586 2390.38833 2029.211329 1665.616918 2460.619001 2603.537571 2477.68343 1912.482157 2206.927372 2253.476464 1784.9998 1608.248554 2365.985207 2822.033851 2117.110389 2484.581988 2502.290394 2037.719707 2395.293221 2320.17722 1962.174895 2148.336259 2334.863769 3125.200932 Bassic acid 972.2698299 1437.945596 1139.595652 5196.239558 4236.061811 2167.849055 3517.094419 904.3794181 1065.201844 4.07813e-08 632.4144856 1002.290874 326.3249647 485.8247625 373.0698937 4.07813e-08 2705.271458 524.5873626 4460.502845 3671.683348 3373.744622 7663.190517 5868.159502 4705.856227 3288.859577 5266.419532 6152.044334 4.07813e-08 4.07813e-08 2340.737112 651.6845116 286.2836822 4.07813e-08 261.4084425 2813.082727 278.3388194 2483.053283 3076.916463 2900.811243 9786.198267 8307.392351 4808.684541 4597.7405 4247.786533 6684.278952 5772.586557 3581.969854 4228.070912 3756.148073 2741.074605 945.5051417 4637.152796 3525.223641 3048.157777 Phytocassane E 8451.117311 6715.662644 7752.574657 6782.29328 7286.264963 9358.31866 9244.189402 8087.785723 8388.839899 3295.540161 2941.251753 1664.41092 3827.371083 1773.726804 1939.362179 1081.832034 3053.23367 2459.448006 20008.69944 20051.13085 14138.43074 14366.71436 18958.40633 18969.91628 15137.76758 17925.39176 18601.95943 2555.249521 2918.140509 2630.251101 1978.914004 4243.870451 2251.25248 3448.111159 3102.323834 1611.673439 11286.62521 16278.62274 13663.51419 14346.58668 19011.87951 15600.90278 16496.71919 15726.00311 22306.73855 14113.49896 10726.61843 12465.1043 10201.8152 8780.535063 5020.960185 13966.99476 4418.227899 11091.63365 Genistein 7-O-glucoside-6''-malonate 4819.305844 5034.445446 5304.119377 4569.692044 4741.816622 2923.422132 3661.179245 4070.464778 4435.382583 2039.758456 2929.516392 3310.451178 2556.749407 2452.135439 2650.294915 2032.92259 4.07813e-08 3580.237443 1900.786653 2066.433642 2691.444825 3333.596947 2864.101303 2324.530574 2412.392137 4108.573927 3697.947043 679.0649207 2637.254867 2633.33392 3118.783226 2443.851427 3048.93194 2487.756447 2092.398665 3488.774579 3289.197816 2891.485826 3133.068331 2721.448434 3541.349956 2422.762426 2971.115707 2940.666604 3107.019792 3728.898768 2798.721713 2081.315014 3376.2268 3571.991431 2246.41533 2823.399915 2888.056291 2866.331269 Propapyriogenin A2 211.0303539 1247.143606 819.7424285 2811.811388 1145.102668 501.3094572 1099.543702 6609.384732 3334.172787 455.1897056 121.6223756 278.04512 799.8844715 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 555.3975103 3174.038392 4450.628457 3638.822896 4966.677275 8461.258814 8245.858268 5564.294521 4508.549945 11753.3539 4.07813e-08 486.90321 1048.99773 214.9648468 365.8955827 4.07813e-08 100.2782774 4.07813e-08 4.07813e-08 2705.662175 2388.707894 3495.910637 6290.566801 5046.837812 5108.504254 6659.689506 6099.288716 9521.035512 9049.929265 4060.190932 3534.229325 5319.161757 3463.081745 1205.190029 4479.011364 1197.756942 4958.802614 15-keto-PGF2alpha 15324.58877 10765.8119 11652.46888 9414.841013 10235.92515 12614.24721 13213.72841 9477.42495 11431.78889 4449.210063 5067.093642 1774.387908 5465.7406790000005 1068.611644 3560.752575 164.5221136 2796.809854 2580.162211 26711.64916 27742.51989 20560.42102 23591.98943 32260.26703 28557.42319 25006.03509 20767.22798 23928.34628 1380.843901 3267.015527 1966.758359 1977.216026 6592.383467 1410.237785 3047.629905 495.6889441 1090.407842 15932.62102 21533.81149 18875.24766 20119.62645 27785.26313 27883.53271 24662.42148 23307.68848 31783.39248 22307.21161 16822.20676 20127.20619 14406.91616 12049.8456 7205.710219 19946.61387 3555.210766 15594.75537 TXB2 10189.76448 5530.928813 7371.433493 6948.876418 7271.026279 8864.847421 8772.19451 7136.896501 6655.38949 2937.617595 2761.011683 737.1869068 2537.25801 630.8956165 1940.072776 4.07813e-08 676.9145789 1585.743231 17722.52315 17896.15368 12288.80043 15353.23995 18372.91066 16804.29733 13788.62396 14430.20039 16085.26537 1438.525981 1311.691227 1416.780536 475.0899151 2208.92769 1059.129129 1159.407617 1350.537381 462.4062602 10432.57196 13942.2142 11138.33361 14201.25746 17611.6649 16421.86226 14651.80723 14629.69301 19827.11942 13644.50323 9981.330283 12699.77615 9944.405026 6991.126366 2396.143511 11567.65448 688.682148 9619.027301 20-F4-NeuroP 13861.97458 14426.49397 16684.36711 23721.3996 21440.2157 25996.9313 19559.34226 9499.407887 22841.7324 1094.213492 721.9663082 369.8220318 493.4048226 854.5403567 405.138226 344.285399 1418.962858 1617.761246 37619.155 35131.77038 21577.86345 33765.46052 30464.89501 36437.68047 22248.27325 21932.91226 43723.65667 280.686481 381.2809153 1367.563107 524.0402117 2286.903208 345.6130399 361.3079255 67.36914569 521.4628613 15665.97113 27066.02468 19332.60341 27965.25302 39013.60246 30406.77628 31009.78183 21175.11106 40854.46651 46712.76741 21347.61554 29529.75927 21060.45231 11280.5348 1076.338914 27353.30122 1682.421565 20859.37741 dibucaine 2931.548222 2642.59566 3774.812175 3401.848161 2722.571707 4263.241368 3303.726315 3754.126999 3224.42273 41.35371096 5.871113657 13.23665937 21.06996122 20.19133317 38.6563658 4.07813e-08 73.67227348 4.07813e-08 4561.632297 4958.024403 3158.098788 2212.56071 4815.132584 10114.99528 2695.176751 2660.817352 3653.563091 4.07813e-08 4.07813e-08 18.27025383 4.07813e-08 4.07813e-08 4.07813e-08 35.33660162 4.07813e-08 4.07813e-08 1425.397725 4204.525813 2595.613526 5413.190805 2862.258143 3313.568165 8828.412041 2743.338421 2183.02236 7777.807463 3863.091386 3582.27096 2042.144586 1328.654684 26.87615585 2627.768829 4.07813e-08 4928.800622 Oxyhumulinic acid 4332.285149 3179.659291 3983.492848 2311.774401 1642.311995 5308.561966 4256.916192 1208.183643 1191.352273 2247.862969 934.8018885 629.930528 2552.271218 1018.070942 1045.562228 1596.017473 126.499047 353.3992327 4768.969256 5317.278248 2704.610348 4402.381471 3371.447954 6103.706049 4415.259516 5286.595312 4995.143036 161.1082015 1102.925161 1294.729983 873.2366151 750.7815344 282.9221227 1186.275308 244.8958289 1234.693524 6032.660582 6713.465687 6316.51236 4386.284133 3244.366424 4406.868305 5289.733766 6118.736002 2985.443215 4742.961502 4220.634549 5810.04151 5353.653626 3238.602634 2751.875565 4725.722146 2247.811217 4767.327279 LysoPA(19:0/0:0) 173.3621333 3107.065629 1222.859988 2562.158827 3446.526439 898.267513 4094.819977 2858.536993 1062.177809 4.07813e-08 4.07813e-08 16.82711241 4.07813e-08 234.8805478 148.1891832 4.07813e-08 369.2280366 4.07813e-08 2202.101364 4877.240476 2398.256149 7173.855045 4442.256313 3865.017739 6920.091186 2327.397568 1510.154908 21.98436322 4.07813e-08 4.07813e-08 4.07813e-08 30.53122397 4.07813e-08 11.63643191 4.07813e-08 4.07813e-08 1758.675364 3943.185479 2475.503772 4174.670002 7215.877698 4348.644079 3571.733365 1237.840574 3085.959709 6681.898761 6463.955512 2066.615588 2247.022423 3047.856039 2866.601629 3558.66396 280.8865993 2370.567568 1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone 3787.255646 2872.48657 4031.070641 4184.274851 3592.70356 5981.68178 5784.442103 3163.005444 4533.964213 390.4218573 805.7280132 256.2266463 1113.163468 303.6332988 162.5911239 538.9591446 581.6294467 937.5344796 3401.952292 3074.909953 3022.088854 4237.443248 3506.718402 5032.63616 2919.712874 2405.098345 2988.691539 288.9789752 546.5832402 1033.80591 994.8649934 535.8831246 871.7949593 117.5708916 594.3799512 1681.344565 3637.2301 4293.700019 3820.281599 2933.494046 3186.934364 5171.701349 5302.362851 3129.269573 2192.367545 5013.374084 3639.983669 4948.698767 3730.292787 2246.466477 616.8058736 4548.801335 614.9139747 3235.417143 Teleocidin B-1 8626.115294 10617.48678 14170.89502 28935.90586 24439.08464 14378.16064 14678.91679 13135.24653 10901.00363 5010.543983 3408.176095 8724.527419 5004.491401 12438.50968 26456.55895 10312.74467 47426.54915 25716.30292 15125.98338 4847.324537 28282.36046 30679.63256 27768.00867 15925.73883 14721.37554 21777.63507 24192.97089 45585.62866 3608.77832 7934.28034 6463.289276 2998.441924 12070.04224 10268.38264 26892.19247 8960.047672 30112.0045 11522.5622 29744.09918 24098.8842 26624.92372 25192.13865 13872.43346 18997.33592 14510.37342 26470.74004 8670.34736 18152.31505 26464.19872 15725.89979 3426.759493 18884.5372 3637.095418 9424.480779 (25R)-11alpha,20,26-trihydroxyecdysone 29763.41575 28180.74385 31323.42507 5803.09009 4860.3489 34037.48698 5781.594517 32322.66359 32622.62511 17900.6193 7173.001619 32468.13064 20436.93046 37502.43343 27030.05441 38498.80486 24352.70322 30138.93092 23147.5457 13587.88963 29550.64007 17856.63088 3051.353096 470.7246983 2040.259967 194.029451 4.07813e-08 31543.90819 46388.41314 17126.62057 47142.21154 24399.87363 17320.05105 28847.16974 46571.54009 35975.70116 33446.57693 8056.891024 36353.06049 12481.27325 1575.143937 8356.814165 4.07813e-08 4.07813e-08 4.07813e-08 36334.55185 47097.28677 34378.43747 34980.37289 19595.30473 25803.63785 39152.31546 13723.8712 23638.9765 PA(12:0/14:1(9Z)) 505.1007176 64.60564566 763.2932628 16387.13893 3155.418088 6281.523694 3098.256731 277.9107556 269.8103795 13.71322496 5455.573699 2833.67113 4.07813e-08 5115.091865 3253.267931 25919.62796 168442.9541 80.09694741 4008.125352 2861.842718 1428.030187 20776.7876 2036.093131 2238.17008 3152.675558 4.07813e-08 2301.279663 114184.0435 4.07813e-08 4430.977292 1054.922389 1716.217568 4915.794773 4.07813e-08 87787.56007 1454.365253 1520.398959 300.0515983 38.43898028 10820.63929 15629.90862 2219.296487 1131.873558 4.07813e-08 4.07813e-08 2419.503635 902.497073 5541.221003 3146.636239 385.9398497 4.07813e-08 3881.200933 832.8980004 1499.519337 Lysyl-Gamma-glutamate 4093.669972 2075.945987 4233.299188 1314.413344 880.8152376 3155.432291 469.2170398 4143.115652 2878.055129 866.9749763 619.4444114 2054.507805 482.2269001 1542.149785 938.6201495 637.7443542 191.1694623 994.8015763 1751.622661 2387.003516 2202.907711 2026.515499 92.17309447 4.07813e-08 248.4578325 4.07813e-08 4.07813e-08 637.2956126 4144.897764 759.4747452 1715.345714 2537.873613 502.0594776 1715.983022 1250.12585 2212.90372 2275.170297 290.6137392 3719.371286 1829.47114 673.6169858 618.5556717 4.07813e-08 69.74495249 4.07813e-08 3311.175348 2528.020085 2203.137953 2464.086148 336.4736489 746.8021826 2022.612181 768.444972 2537.341027 20-Hydroxy-leukotriene B4 14436.79364 7334.988827 11602.42389 8018.140428 7035.899622 13965.29088 14665.87776 7492.567827 10847.07108 2526.457565 1726.660855 546.1751882 2551.557593 653.2947049 587.9323835 0.198072849 1149.192235 1170.184134 22643.51868 22620.66559 20723.87959 19650.07583 17089.54359 15274.21339 13215.63958 10505.773 11428.30187 418.1399519 1884.357558 750.6611616 869.5447419 1597.509154 722.9357699 615.7773404 4.07813e-08 110.3086747 17579.28292 17412.06114 18966.84584 17760.85011 18082.73657 18592.19196 14845.0601 8771.147327 14233.59599 21027.14336 16575.04608 21803.06332 15278.40874 10147.50288 1886.848296 21427.4865 1055.800695 13369.04188 Lucidenic acid L 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10.82907338 4.07813e-08 597.8789858 4.07813e-08 4.07813e-08 6988.476317 6467.060896 2321.991577 6400.215503 3763.73026 9083.955505 1907.196785 1935.22095 644.5431414 4.07813e-08 4.07813e-08 4.07813e-08 509.6874907 4.07813e-08 4.07813e-08 821.0674444 205.5210665 4.07813e-08 5187.721394 4521.101831 1946.657572 6558.078295 6089.496607 4817.824575 6041.153908 4342.691707 1736.370309 3045.387292 4.07813e-08 4.07813e-08 278.7229258 4.07813e-08 658.8046114 4.07813e-08 4.07813e-08 4.07813e-08 189.3507342 4.07813e-08 14.03000429 4.07813e-08 347.7308839 6355.088609 4.07813e-08 5034.526951 4.07813e-08 Calcimycin 4886.212876 9186.93194 3233.418851 6328.637573 521.4229078 3471.431767 5199.84212 4203.03242 4647.304951 19725.90882 21220.45644 10181.74757 24524.46386 9224.183726 5037.986221 4.07813e-08 3947.69 4306.438535 347.9378604 613.544412 4.07813e-08 367.8490354 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3432.794394 14687.29729 5531.247594 6379.946566 13999.67017 6647.685322 8242.197318 995.622138 1982.98101 1712.802788 4296.430885 1487.123046 230.9435211 225.3201334 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 789.1527003 2364.843264 946.6424219 1520.44557 2181.925566 9343.488589 659.1189475 13081.46293 4.07813e-08 Cryptomeridiol 1450.118693 1619.410336 1321.838909 1275.086377 1170.381237 1042.909647 1135.366734 1868.747816 1649.348092 388.6079069 898.6707385 839.5217809 562.4391764 408.6538814 622.6248879 1140.155728 822.8796762 958.7573491 842.3144731 803.2770361 999.1259691 724.8381115 596.651708 717.777221 1206.391782 1335.438594 1350.386203 812.1189678 865.967345 982.2523147 616.4525798 576.5240238 864.5795629 504.4717441 645.0112686 910.0533476 999.0017443 944.4506216 829.31944 1142.251596 1032.31117 717.0881879 1229.029878 917.7305052 1066.567607 1015.456098 1101.588679 736.1208499 1085.296008 687.6967874 391.2939698 1209.432367 901.5803678 1648.331189 Prostaglandin D1 Alcohol 8049.827838 8205.897707 8158.000983 10101.85808 8898.511754 10475.59393 9959.714665 7731.481976 8289.624254 4693.477803 3563.46246 4761.150864 3625.595121 4539.457332 4099.198285 5159.247974 4417.857559 5401.487485 6218.517395 6646.32991 6168.016995 5868.892682 10682.77599 7931.706787 9149.041552 6770.992204 9343.89953 4075.214626 4233.004941 5335.999247 4878.490644 4585.291287 4348.075454 4618.810122 4648.031251 4665.336079 5604.332169 6172.55772 5899.554523 6648.568475 6360.295543 8381.772878 8223.850656 6450.097318 6334.298294 8740.812652 7905.359112 7683.84576 6570.165907 6568.857944 3399.236614 6810.869558 4998.589273 7963.625288 benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate 3281.758039 3237.786154 4807.645296 5038.083338 2662.001992 7046.29536 9678.809516 5211.548623 761.8674228 168.5080219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 998.5193412 718.8814974 5968.679608 3556.719355 7236.527157 1562.370332 9710.014935 7778.88631 11571.60865 6910.891636 16736.7038 5090.308925 6657.752846 490.3287794 4.07813e-08 557.4837001 4.07813e-08 3333.931349 4.07813e-08 4.07813e-08 4188.955877 4711.569453 7938.584271 3074.566303 8451.693635 7157.791716 10825.91546 10680.40451 6635.103448 4929.50164 2199.516203 1703.385799 591.8848138 5272.158058 5483.628688 3774.102029 4.07813e-08 6574.99687 793.1872661 7122.862308 9,13-dihydroxy-11-octadecenoic acid 3680.334975 3423.425134 4796.942161 4591.967394 7085.394122 3585.756873 2632.636244 8013.145741 3056.419576 87.89140433 44.72080361 80.44180565 30.21354403 4.07813e-08 13.20315692 1222.792459 2483.170859 114.6100872 5423.471041 3670.73494 7023.794482 3106.52532 7399.811837 4699.600357 3790.163562 3483.219647 2622.682993 186.2412418 21.72879479 97.55960725 21.39806799 37.53319283 24.72363333 30.93144637 1042.251434 4.07813e-08 1216.676464 4290.483947 3837.381474 6983.498937 5536.980834 4121.708176 5470.574609 3353.149305 2084.49265 1390.407373 2893.425178 3688.645277 3271.378514 1741.303775 29.51153591 5125.231919 68.38468047 2897.437518 Isobornyl 2-methylbutyrate 5316.399719 3223.140391 4215.364705 4692.976793 4222.896016 4331.095222 2820.674383 5045.004922 4541.957522 2077.909597 2308.321871 1483.956223 2105.591359 1512.459444 1190.393991 2973.37965 1605.778649 2190.5021 2764.333008 2788.496055 2536.311782 2833.793325 3289.242504 2711.791017 3888.894311 3634.095022 3288.793863 1883.499811 2259.06058 2355.864946 1735.648383 1150.53763 2591.834108 1975.150339 2576.621961 3190.16673 3508.111502 2730.134905 2852.974582 2561.501316 3587.547699 3838.590553 3221.594867 2878.230091 3500.216392 3389.087015 2160.419258 3033.477481 4025.666693 3891.680049 1685.1346 3398.246235 3151.213996 3905.511822 ponasterone A 1250.496403 6350.727953 9722.085991 11929.91817 7391.529451 13627.86902 16827.44134 3065.900027 6323.694458 738.2760873 169.7667092 6683.290886 1223.054845 4880.8073 35398.85454 1548.187752 25035.36629 9034.924269 9609.732392 10798.86302 11880.96722 20826.31709 14482.61215 18528.00448 15012.74934 7835.040088 9393.728279 2511.899521 1995.640087 18.75051777 3516.903469 49.68836903 364.3460448 394.2642912 1374.755745 440.2687131 8000.846077 9921.723116 13844.56633 25388.19615 20444.21961 13757.01814 16568.17853 7352.854402 6834.333632 26253.47632 17924.64555 15571.1004 13824.04477 3464.790603 2498.772983 9858.443232 4.07813e-08 5870.449373 3-Dehydro-2-deoxyecdysone 5731.496928 8099.470451 13154.33097 10080.18276 9338.659125 10740.59013 14933.05261 7176.271601 10687.45241 1157.89018 780.9912419 5751.787644 1227.483196 3125.628947 21999.11245 1301.379329 11584.55347 5164.548404 7149.757007 7867.498669 10649.50806 11373.17345 10755.94606 10822.66741 11572.33713 7733.981793 5779.457987 1829.602707 1782.863289 184.1234756 3716.436405 301.8547095 510.1848438 536.4460898 1853.258018 308.0583479 6417.061977 8124.015183 10494.55542 17833.97965 11994.94715 8571.387374 8783.821378 6787.863766 6641.843094 17438.77693 11656.44813 11030.70446 9093.492747 4010.651928 2564.465918 8955.162812 204.2344054 6367.259996 Ursolic acid 4.07813e-08 4.07813e-08 4.07813e-08 306.2415785 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4800.782528 3448.142822 717.8390161 3835.432087 1872.11212 2484.710943 578.5075928 4716.762575 4370.472421 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151.4058049 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2032.268837 2598.614967 2349.949285 1832.69914 4012.377417 1462.683818 1835.378005 961.877702 1120.541369 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1723.815765 4.07813e-08 4843.493409 4.07813e-08 MG(0:0/12:0/0:0) 3952.871683 3894.510707 3866.796586 3177.553182 3603.506104 3184.5007 3332.944262 4043.194615 3409.100932 2392.252474 2493.816583 2115.92505 2638.393387 2607.703071 2107.589854 3163.26345 2865.423797 2630.201966 2323.159762 2819.057933 2009.784871 2788.450209 2064.301036 2234.158824 2779.334143 3024.990103 3421.426909 1606.621816 3160.309648 2552.311985 2152.812763 2051.006748 2797.399233 2170.444117 2911.255849 2604.475716 2420.186216 2124.341833 2326.663715 2184.097693 2860.323881 2722.495872 2707.950911 3621.984921 2302.84362 3460.425086 2680.081207 2125.932366 3141.774131 2800.303394 2865.505756 2479.980073 2653.966731 3266.358614 3-Methylcyclohexanethiol 49729.43992 73905.87112 40230.82119 42411.33868 33533.71689 42587.03307 49666.8629 90219.29495 135560.09 37571.78352 49760.20679 63045.75937 37281.61811 33794.7081 44883.02431 37173.22732 42569.02489 79032.6592 34200.69691 41849.29329 58110.78797 20942.72848 40334.29325 63245.20654 40271.91436 39029.76181 49041.68244 134133.4593 52666.92885 46851.6756 96444.50908 53928.87566 55028.78946 43715.7437 59085.91698 42255.09551 43247.06461 20981.05502 30590.61645 52219.90016 32248.43728 31627.30494 52945.38613 49858.58381 20976.51456 66915.79746 55536.09167 61683.12917 51169.13131 57025.62229 42111.71576 60976.00128 103921.5083 43695.48514 (2-methyl-3-oxo-1-phenylpropoxy)sulfonic acid 425.9496392 2881.108011 4.07813e-08 4.07813e-08 2691.008791 952.16543 756.4124812 940.1716255 724.0993524 2267.936901 662.4075904 464.2862628 2845.455178 910.8064434 1926.977852 1837.737885 4473.747095 15863.45072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1056.355936 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3569.085328 4943.417217 9005.440195 11426.6538 6639.820808 6994.329549 4.07813e-08 6637.876111 7317.966974 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 879.8021293 1780.636923 1246.892244 217.151153 5878.123794 1069.498265 4,5-Dimethyl-2-octylthiazole 45198.50435 72458.77475 20897.25556 37355.96308 32534.2242 31103.84326 29831.37369 72155.97395 90638.85317 39074.81269 49376.2973 34752.38347 40702.39664 52620.57944 37773.36148 68935.1959 68264.75665 149770.2388 8624.181392 6064.787866 6692.898988 4587.605095 4921.237716 2348.921731 9897.945639 2719.005363 4342.530981 45596.88445 69275.48097 136457.7449 44362.96572 100570.4857 34149.75576 40028.44142 28760.29906 71394.64963 13967.71318 7956.971578 9646.063626 8607.440744 6203.7373 6929.961204 3791.347436 4722.032763 1948.954785 5351.55103 21970.56674 31053.68762 47463.66768 48891.0477 104160.7742 63413.16574 15028.90831 24489.98968 Ethyl propyl disulfide 1308601.963 1044015.593 1402126.199 1533245.947 1465009.205 1386427.912 1191169.617 1787588.055 1651711.281 68803.86853 74363.56285 42673.83909 56944.90399 111502.7976 65941.5424 42691.45706 106964.5546 156695.835 881572.6047 859482.9531 821590.4922 603703.2488 1035421.137 986155.3308 964472.8331 409640.0051 989242.5624 69377.84167 72672.0895 110016.8777 7241.349032 149273.3587 80316.952 18970.86053 89142.09368 65607.29819 611784.0063 993615.229 1157310.34 1034326.664 971280.6912 869135.2113 997127.2226 651379.6473 321460.5287 1230493.125 779277.3806 1197607.509 1164422.58 1078098.698 53856.52726 1243567.568 5716.727028 1221970.923 Lactitol 1792.846322 3103.943772 1686.787534 1875.937855 1855.933069 1806.883255 1583.838849 2443.115382 4.07813e-08 4879.956543 3178.928077 5473.536179 7107.434306 4052.275385 4448.873481 1635.584477 4407.104232 2309.5229 756.9726014 880.6846483 3535.885328 2756.409356 1846.119892 1450.572188 5125.805181 2044.042652 2718.895115 4485.52972 3056.60815 4474.323572 3627.813405 3050.154433 6031.296613 6295.693605 3568.545376 5208.698882 6124.397305 2547.194448 2956.756334 1031.253499 2356.86931 1869.714192 4.07813e-08 3629.283631 4715.683973 2045.546652 1127.498854 2123.068557 3620.024685 3370.319843 5297.763155 791.6575379 3888.70589 2916.114175 7-Methylthioheptanaldoxime 8159.727161 8731.675325 2866.075207 4341.928802 2488.728302 2975.289167 8176.770384 10954.84266 13373.2298 3542.17439 5315.103281 6858.539414 3368.890455 2545.720741 9122.887192 4591.69506 2706.562778 2475.294298 830.3065519 1015.322682 1011.534 171.8606189 341.8554934 673.4256638 1669.566857 1101.673095 964.4455998 12275.03971 4396.125723 1234.553594 4157.247091 1208.149837 4193.245848 8384.825747 10285.76444 2381.066641 3264.002017 1485.867876 1685.427282 1142.948244 783.0406779 479.1553658 1513.598841 1103.607732 543.5981556 1492.874292 4832.533842 2083.618755 3921.636945 6184.878711 2165.656358 3643.544157 4028.446705 3704.015303 Robinobiose 1175.405388 1945.352015 926.0587655 4.07813e-08 146.1210473 1132.092074 1179.085858 1237.02858 1593.929425 1771.959804 1807.789374 547.0595873 1974.032901 1534.227683 1093.156243 120.9047695 1453.699413 1278.412089 202.6558199 246.7934039 3134.027955 4.07813e-08 1015.156335 0.494793306 521.849008 3833.175278 1343.34952 1239.854897 1994.131546 1997.739988 1194.856423 3100.499138 1721.155977 1457.162421 302.9263582 1006.805365 3305.161547 1620.824523 2922.476771 1831.561213 352.7719641 363.8240035 110.7667624 3654.450958 66.4633216 156.2594148 1058.017148 683.7517534 621.5859086 3829.077189 2871.608252 2006.462044 2362.381402 673.1019109 FLUTRIMAZOLE 1284.481364 2453.237505 1901.595922 2190.751529 2188.751499 2179.015139 2197.034125 1363.901451 1525.253658 2854.740354 3297.477099 2846.294798 2166.660357 2227.793304 1920.509694 1811.670313 1303.851235 1533.882443 2606.236988 2741.819537 1872.197451 1991.906666 3086.590611 2863.023191 1821.680861 1644.458991 3097.608617 2699.00624 2009.287535 2609.513276 1858.687857 3081.980572 2519.210525 3241.16437 404.6539105 2591.099978 1728.424615 2549.658545 2336.031136 1444.071097 1830.766027 2754.064485 2030.671288 2824.664787 1776.548957 2053.884114 1773.507026 1451.979452 2145.677233 1515.019572 3167.843326 1807.390449 2993.135045 2489.498323 7-Mercaptoheptanoic acid 690.6237863 1162.015796 437.8280798 422.9537897 274.7549234 454.4290275 364.8666581 379.6088052 1131.780957 157.2281383 251.1760629 278.7728334 91.2562876 129.1990069 128.4261359 482.2885344 255.7625618 259.4767708 513.8959444 1224.484463 1689.622439 549.4062058 366.8508268 347.8478517 438.2455468 940.6004136 432.2780777 603.0126513 293.546754 157.1850808 261.5170734 451.5504107 398.5538239 257.1944525 492.0991824 273.5893874 726.880855 1006.67364 1484.227532 1684.210537 425.666351 767.5572534 490.7992204 1058.868942 2218.209426 411.9527212 481.8944547 967.4623227 615.0105085 1190.962848 457.2656563 1262.31775 252.3329627 473.5231998 2-cis,6-cis-farnesyl diphosphate 1350.838708 1743.664588 639.3630646 1377.842347 1676.804085 1439.961014 1100.908216 1987.57324 667.24511 4.07813e-08 4.07813e-08 4.07813e-08 327.3873011 4.07813e-08 4.07813e-08 4.07813e-08 821.6243068 4.07813e-08 2366.530268 3544.73619 2587.23281 1324.430051 1763.447584 2226.300418 1908.445542 1300.806374 1560.966457 226.0727333 4.07813e-08 4.07813e-08 4.07813e-08 114.0367638 4.07813e-08 156.302826 4.07813e-08 270.3677479 1897.408424 1423.199381 1225.49038 1916.775433 1828.150875 1906.187251 2568.057314 1796.84162 1630.186597 4495.940976 1939.306805 2001.432669 1547.347607 1786.594321 411.6338723 1623.227405 4.07813e-08 1406.517417 Trimethylsilyl n-pentadecanoic acid 3790.597014 2130.816298 3331.032756 3340.911955 3816.225126 5534.556606 5377.723224 2327.195138 1493.851895 983.0637525 539.809923 2576.777916 494.788982 914.4274965 2272.403819 24081.47785 10541.06676 5036.378393 5557.635303 6401.618989 5041.273218 4565.247006 7048.26151 7540.447943 6303.295546 4852.034344 3339.139399 1181.701928 474.2608932 2105.647209 402.2362443 898.1997007 393.8860912 290.2673141 11916.04942 2397.155154 2487.270354 4448.996018 4046.181666 4702.865658 5512.984493 5632.681246 6749.460949 3332.398188 4436.389121 5898.827609 4442.175422 5368.146676 3066.695772 2480.251419 865.667315 3126.753508 704.1494834 4084.157487 Ganoderic acid beta 4.07813e-08 1645.608695 1439.777794 2917.969721 9098.972887 903.3676764 2978.269945 1812.19519 1785.147118 708.5001172 4.07813e-08 254.9728547 542.2543154 2285.149702 1677.522846 4.07813e-08 4.07813e-08 1715.692364 2477.157325 4301.071967 1639.245838 3931.981857 1939.668513 2660.141995 5379.438386 2529.888582 3656.540371 408.414642 179.7998829 1021.397434 4.07813e-08 1409.534739 516.8770961 176.4282562 4.07813e-08 200.2261934 419.4459889 1655.9654 1477.591262 4838.071466 4725.413093 1458.698137 25.26120466 2930.995654 6827.865024 15575.04161 15043.23188 748.6501151 1346.621373 1278.617367 3941.570152 1446.370106 4.07813e-08 907.9127366 6-beta-hydroxymedroxyprogesterone 14167.47731 9339.931405 12682.69295 10298.75832 8920.010347 19687.51127 18351.24235 9106.475139 11378.73046 3805.14325 2721.322139 1318.139806 4044.31351 1778.727671 2183.570807 313.7487604 1567.200206 1852.557307 20723.38924 24910.02396 17303.25968 18835.98343 25169.24459 32273.9614 16777.22571 16298.49369 14278.39485 732.9221422 3075.975318 1720.778423 2125.445378 3890.321634 517.3623497 1737.546067 741.8702613 1152.984914 13027.50971 19974.78654 13448.48194 17662.69696 23223.97599 18280.81645 31288.51656 13655.32454 18581.0434 20189.06736 15923.77078 16875.78694 9888.530147 7829.309301 3070.821895 15349.18257 2225.340026 13520.8054 2,4,6-Heptatrienoic acid, 5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)- 4.07813e-08 92.64634542 277.8991848 413.0914801 1031.334283 1570.511173 725.4697618 786.663841 420.780158 4.07813e-08 4.07813e-08 60.48025849 4.07813e-08 4.07813e-08 134.688501 4.07813e-08 250.9287871 4.07813e-08 1460.288575 1048.083247 1248.222414 965.1591739 941.872775 865.4806313 901.3254105 256.5007446 304.7914071 47.6565085 4.07813e-08 4.07813e-08 193.5916881 4.07813e-08 4.07813e-08 63.96556641 204.626093 4.07813e-08 1344.310037 87.60457601 885.1466118 485.3903073 765.134012 756.9226962 832.4038946 4.07813e-08 4.07813e-08 3479.683082 1910.689807 1559.24856 484.5878877 64.42510174 4.07813e-08 1302.096738 4.07813e-08 744.9641155 Pinusolide 2269.015255 2516.047194 1912.917126 1968.598327 2076.391795 3588.169222 3310.326783 4.07813e-08 3461.663627 1383.150911 384.1600314 1.830084923 1955.660055 68.96968704 1325.779205 4.07813e-08 4.07813e-08 4.07813e-08 2146.820666 2220.959279 3137.530274 3327.852661 1843.190094 2428.173294 2349.471151 1440.812733 1062.626132 4.07813e-08 4.07813e-08 4.07813e-08 107.4607832 2.348478818 4.07813e-08 4.07813e-08 4.07813e-08 0.103321662 2800.717869 2420.676143 2968.841949 2295.066226 2291.377112 1943.531121 1711.90492 933.8172372 1446.949037 1417.054868 2895.90244 2557.48245 1395.4213 1183.487881 195.1493273 1693.164784 120.5447136 909.5330308 ent-17-Hydroxy-16beta-kauran-19-al 3102.798727 3094.679646 3105.022373 6307.759471 4212.218634 6576.594612 4417.63777 2472.902017 2994.815609 1191.019017 846.2797196 735.5994879 1018.407779 1181.746567 900.4407237 783.3486388 1192.721697 1172.514778 3812.087314 3668.058079 3435.645523 5905.864518 4333.890371 5804.077814 2865.938949 3201.224993 2574.162713 1127.593 1204.250957 1454.274807 1225.263144 1162.979899 832.6419086 954.387442 1377.509524 1036.007898 6212.326147 4506.276596 3292.273944 3270.921262 4724.810716 2613.992432 6099.755956 3059.349367 5320.553355 3168.599545 2997.436007 3391.383527 2851.336511 2122.145094 943.1915944 2173.132899 1566.878899 2773.430393 8-epi-15-J2t-IsoP 12938.34511 13374.38304 17416.2757 16776.14709 29078.13735 25071.977 13875.12208 8688.102434 13301.46885 12106.17951 8221.915855 5529.646753 9946.442611 6237.543017 8571.35673 7190.394666 6039.161405 7132.352047 18362.16234 19323.715 19738.5422 24269.4844 27261.95714 25554.65362 16308.09789 24478.01891 16921.7063 7098.779614 7869.979564 7281.132435 8573.106725 7424.304753 8206.810721 7402.734967 7769.29319 5890.096084 20122.23149 19795.5833 18234.40874 19454.71366 23603.04842 22097.20454 25973.48759 19258.00482 28648.57491 16979.63429 14405.85409 17847.85665 11847.67035 12856.197 8191.773731 16005.41925 15030.99552 13907.84423 19-Hydroxydeoxycorticosterone 550.0865453 358.3838259 167.3239079 590.2982813 1359.587889 1125.687441 1736.414962 4.07813e-08 2371.914534 4.07813e-08 7.085888339 110.4530679 78.53566722 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2202.233387 4300.488982 970.7250228 2006.453836 2284.895896 3098.287541 1138.681073 135.4870104 107.4695355 4.07813e-08 2.539061747 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 601.1858416 2545.254243 1135.648239 996.919425 1791.625117 660.5922925 1265.206013 4.07813e-08 616.7301711 2089.368608 3385.732162 2202.626057 212.9548013 4.07813e-08 4.07813e-08 1996.393418 4.07813e-08 4.07813e-08 Calycanthidine 1186.627618 5747.159214 5484.359712 2143.021376 767.303797 12420.56741 6480.123466 2559.524802 3508.379366 4021.965624 1880.732718 487.2632501 2642.346877 685.8254879 1264.431299 93.87732238 833.3848745 595.9903266 4799.386501 6356.437745 1694.441847 3462.096282 1516.835637 20030.43858 2506.172312 10317.94242 10615.63207 1666.110181 2290.951381 1455.615727 2783.251069 1752.424974 343.7291933 815.729498 714.2123619 345.6001175 1242.686106 6106.505494 838.3836591 1884.568282 4999.982493 1079.243078 22100.67276 8067.71967 16593.85564 7769.255897 9169.263256 3760.955312 1683.098679 1455.164421 2522.683264 1064.542626 6263.214963 6586.488927 Crithmumdiol 2947.185482 4375.504676 8513.280649 7241.137209 7729.631959 13058.47065 11024.82343 10382.1669 8079.437823 170.9716429 83.12785227 240.1901626 623.1838615 220.5273382 323.3708274 4.07813e-08 224.6361245 307.3027047 12562.93384 10711.26029 7706.827292 7509.863771 7974.338099 10025.59614 7668.798553 7391.868554 3518.894435 99.12405644 321.3558479 150.0930425 424.2440371 396.7044567 4.07813e-08 4.07813e-08 267.9149281 4.07813e-08 8408.5405 5475.292607 7058.439192 5892.010152 8344.058947 5595.250787 8018.41353 5354.264472 3670.692855 23286.23864 18719.85873 13883.84588 8254.885878 4689.460081 602.5552562 11102.94909 350.2286859 9102.461064 PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 911.5412905 13840.45325 36147.88248 34655.28114 25396.82561 50374.54196 54947.6482 17529.56023 21325.23583 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34987.88261 37098.78187 26533.37847 17877.66607 24452.6202 20713.345 506.9993338 5521.909058 4.971041854 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37717.52089 7163.558484 27094.82597 16573.99388 5509.733809 6809.961548 2575.068798 5291.92119 310.495197 259309.6482 136658.4447 75869.68941 4131.502688 5434.548031 4.07813e-08 29903.2713 4.07813e-08 29908.1962 (ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate) 4.07813e-08 1176.011487 1375.277548 1720.078429 1915.967175 1997.472563 1363.926347 4.07813e-08 3004.617492 121.9032986 4.07813e-08 4.07813e-08 244.0625726 4.07813e-08 208.6653773 4.07813e-08 4.07813e-08 4.07813e-08 3118.333473 3788.463467 3447.925743 2686.856189 2342.967983 3351.226969 2772.604328 290.6325495 324.2689573 4.07813e-08 4.07813e-08 159.7495073 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 364.41761 1227.671198 1674.103486 2529.867803 3232.175096 1217.109337 1150.138237 4.07813e-08 419.4704992 4455.377726 968.5011715 3668.744345 1841.617925 1472.553274 161.1318874 2352.888746 161.2943836 238.866962 Linezolid 4.07813e-08 439.5579053 10478.80741 583.7137967 325.374991 4.07813e-08 4.07813e-08 4.07813e-08 622.4131409 37549.76511 38979.13151 10154.59129 35483.83291 12600.98056 3890.634017 59232.43084 28247.34784 7029.132891 2395.716644 2725.809962 1550.168129 107.8436223 4.07813e-08 321.5458262 4.07813e-08 48969.756 4.07813e-08 3422.315675 8816.286709 35474.86964 901.5446463 17053.15602 31540.1675 1130.48926 44230.22286 5216.282628 4.07813e-08 541.7258757 153.8021406 4.07813e-08 4.07813e-08 4.07813e-08 130.0691452 42686.94201 6293.017634 4.07813e-08 2541.680484 5269.799306 4.07813e-08 1234.714384 2775.608937 5056.570393 24104.734 4.07813e-08 N-nonadecanoyl taurine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14408.32276 26027.12128 18897.41684 6789.739935 48701.28825 5504.327584 21844.68135 5968.141177 3587.13979 4.07813e-08 4.07813e-08 4.07813e-08 45.89127668 4.07813e-08 126.9557293 4.07813e-08 4.07813e-08 4.07813e-08 697.6090885 4952.302861 4230.75083 3830.311065 1812.667384 3050.212785 1014.790222 5257.995731 5483.396673 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 183.353725 4.07813e-08 15050.56514 4.07813e-08 Cholest-5-ene 2994.355235 3464.243919 4124.20688 4290.961013 4259.291037 2966.887882 4061.858288 3746.096636 4389.378766 2675.85779 3462.400245 2614.120532 2590.9462 2880.819594 2282.638757 2739.319838 1868.321639 2898.161264 2757.97998 3111.644007 2850.803964 3383.011965 3228.473203 2379.137375 2852.37421 3863.43726 2986.826013 1591.302966 3031.173464 3876.30642 3123.414493 2900.113169 2299.933071 2986.999199 3191.037406 2833.800786 3270.979982 3548.376424 2860.739552 2728.648858 2022.559664 3095.130355 3426.25436 3496.709628 2601.837244 3498.654123 3664.170858 3638.331104 2162.14854 2854.77919 2108.801487 2962.602774 3820.66158 3739.61664 Alverine 0.431361513 300.3388427 29.54782453 14.72207385 59.27088933 11.42669516 21.04082679 4.488930462 0.013088221 1289.44027 2498.643512 269.2981198 1526.427385 1565.724269 228.3207914 763.3606539 223.330494 31.92646552 204.8163139 598.5367261 36.60134046 42.4885212 7.966603154 23.83319159 2.248830719 1942.228378 2.167318023 271.8215535 1337.652934 10669.45359 471.921234 6838.585394 2710.422877 15.56520251 418.2385341 0.612502738 2.297074936 46.73503352 32.91285256 11.99000532 3.766478492 142.2345751 26.29017517 1403.133049 700.5017054 10.0613724 312.8516757 86.26248901 4.07813e-08 4.382193963 1662.928765 26.1533422 14405.04715 22.86361396 Isopropyl tetradecanoate 328.8376368 4.07813e-08 352.9039618 855.2068876 732.4161144 485.1443167 251.8612323 365.7745026 208.2148447 1079.972231 1187.089951 437.4892329 1248.341888 1967.258432 404.8784059 1870.818658 531.8867303 1399.47524 2898.758014 3238.803083 863.9110417 191.1219515 751.85415 1688.650449 4.07813e-08 5398.558772 1037.518687 1219.068839 1638.691776 4562.0824 3327.305811 3733.480979 907.6831784 4.07813e-08 771.8790368 1696.496919 734.062394 571.6698035 528.4814685 457.3550101 384.869705 280.729549 365.3005363 2999.694575 1659.259589 1690.791048 2920.406613 450.0000477 370.6602727 97.70119417 565.6903233 431.2811512 8351.464065 95.07689465 7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE 23517.76748 26321.79225 21693.59178 21276.51368 24133.55108 22861.82182 19907.47756 19576.06238 23215.83277 16063.04317 14785.75569 13188.52106 14596.22116 16567.57212 13125.60015 20650.49556 15759.49356 18331.26179 15079.29138 16333.53919 14880.17167 16180.30554 15873.8173 13912.61721 19016.42558 19670.08422 17646.26645 13562.31659 17334.10873 17859.55316 17455.23128 15032.63375 16170.01891 15729.48063 14895.27193 18834.38696 18510.75513 16144.18561 17993.95633 13965.50753 13148.15607 16697.17569 18079.23382 22895.86187 16721.6418 19274.38414 17966.39939 15811.64053 17868.97873 16752.43861 13526.12624 15847.72369 18469.12459 22699.3798 (9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid 178.6927596 2590.102417 4.07813e-08 12.22998699 2.11971654 120.3907067 822.4737175 3156.258959 7631.651058 21172.31659 21912.45989 22581.44218 18488.95527 26037.36353 18899.22563 28713.79947 30645.24416 36353.65387 531.7508343 862.6749348 630.3595006 377.5406364 857.9546414 481.2725077 369.5749213 890.3224311 30.33619313 14480.53412 29451.4733 29093.43357 24874.4093 31574.48391 18285.20413 24413.87123 21494.90981 29798.84164 480.7048834 157.8449276 722.9065236 223.1099712 417.1490171 231.5259611 14.13232509 524.113687 539.9694603 21.7203026 4169.042734 108.8014884 2561.13862 2773.852443 31322.91462 2497.166572 17969.93125 225.4280277 Lucidenic acid K 408.3330727 737.2496763 4.07813e-08 3728.389325 154.4312737 4.07813e-08 383.4947279 214.1034324 3653.805564 7478.275271 8233.108924 15332.33398 9584.149329 7075.662147 13148.60265 3664.893281 13267.17521 9194.705029 352.1803504 4.07813e-08 227.5344809 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6941.682481 20718.63722 29317.85119 14034.25598 56107.68775 12370.29058 14278.64686 14276.59504 8690.074037 174.9077179 4.07813e-08 673.3409608 4.07813e-08 4.07813e-08 183.9629997 180.5486198 360.795947 4.07813e-08 4.07813e-08 172.7341857 4.07813e-08 328.7441342 703.3000179 22642.36031 173.9369128 3896.03058 402.7886689 Oleic Acid-biotin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13.14775626 4.07813e-08 11079.90641 15760.29162 19750.80931 11895.31544 18126.39358 15110.98282 9769.194409 32516.66099 22888.77404 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13694.23896 21555.77702 15269.37419 7126.138795 31101.97115 10144.7811 8777.32048 12806.56015 16178.04888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20133.63156 24.32416347 1557.568263 4.07813e-08 PtdIns-(1-arachidonoyl-d8, 2-arachidonoyl) 320.9592386 1102.98663 178.6545877 260.1637728 322.2348975 73.46805888 1524.723337 801.2566371 1798.67392 4256.522935 8762.624282 4624.312846 4089.004901 1911.535751 11408.23429 8407.315018 3927.750263 5745.952935 541.2060588 332.5738329 804.5224345 236.2320014 787.775187 1045.789411 963.3618516 896.7187134 456.1148239 1913.374391 6622.159385 4528.818199 8117.614114 3842.622961 7812.67734 10179.14182 4505.777568 3115.647127 609.5038727 1041.374099 402.5430796 395.6271289 689.4098469 944.5388131 1143.31662 675.6486348 758.6291884 255.6804499 701.3214118 354.4980066 544.8282606 358.0158274 4180.723968 531.9868477 1558.410385 278.7418207 Hasubanonine 11554.86092 17716.72416 7883.485366 10749.1192 5979.267862 8053.46976 13943.46657 18512.02663 27694.41132 13331.90806 14772.03817 10534.78187 14778.13251 10942.40482 12141.56262 8910.681778 14737.41719 10348.84221 3152.687723 3866.923216 4364.968861 1958.684356 2417.007729 2203.048136 2799.044065 3470.709133 3805.927796 12134.05702 12306.15674 12023.76104 11453.29364 15137.95753 7953.041744 10382.78093 13358.54122 14735.20752 3666.74705 4228.754946 5805.48939 3736.547483 2997.444604 3206.078316 2255.971036 4514.071473 1403.742399 3287.175828 12932.886 9485.706847 15322.74475 21227.1315 12837.80633 9887.72585 12685.16266 6389.192172 N-Arachidonoyl-L-Serine 1272.777238 5412.502225 1268.163954 3554.632387 1290.516084 2658.547019 3950.25498 8896.136523 10267.93838 6673.33178 6551.221854 4280.038963 7530.049627 1904.450149 3779.425849 1955.002459 2423.291054 1017.971313 205.8151173 215.2563043 1522.30203 134.4814748 440.0224111 411.3993499 180.5505803 582.4494284 823.5812675 3701.196814 5021.630791 1245.096534 4073.588924 2154.39218 3439.344969 6449.562465 9874.766487 2131.72062 595.842273 890.4425141 2490.922708 430.015716 244.4578764 542.5740314 4.07813e-08 1016.037616 4.07813e-08 496.1623757 2893.427682 1886.619259 3661.428335 7986.768371 1749.997153 2311.874215 7803.759276 2643.703567 4-Deoxyphysalolactone 417.9816133 5532.158695 199.9699665 784.8950372 4.07813e-08 721.9546815 2022.46771 2776.43188 5265.281892 34770.74701 20659.05873 18394.14531 36218.97071 10089.85098 44623.96473 15049.91498 8278.923135 22210.72676 4.07813e-08 277.9738894 4.155854469 109.9950409 680.1047719 244.0808488 4.07813e-08 11.13967082 4.07813e-08 51290.08935 24997.62319 12925.58409 27597.55061 13978.60862 23337.54063 63548.41848 28672.06845 15252.61359 47.31611569 134.6857507 592.5957034 55.54395927 8.123115918 297.5527304 4.07813e-08 463.6745946 4.07813e-08 4.07813e-08 682.485945 657.4542637 702.6664659 7016.244008 24820.66099 1227.45761 24511.90983 1084.699116 Acetylblasticidin S 888.1799029 7094.460773 2987.804068 3243.877894 943.9537464 2182.742345 3919.674318 6722.914249 12606.07774 4880.877203 2408.993823 4485.201105 4940.206757 3112.386672 4423.290671 2666.053169 6159.461331 5757.811394 487.9613365 857.0199828 2489.486485 43.22735367 4.07813e-08 336.9343327 274.1078964 4.07813e-08 290.6259797 5412.36985 4450.563141 2262.553479 2974.289954 5633.967416 3379.868905 4570.018458 4286.922701 3714.975498 324.4428375 287.9599826 803.4488994 414.5179032 4.07813e-08 202.7853277 229.6288545 300.4378004 7.659477865 1083.845494 1998.92701 2698.997101 3491.006232 10768.95828 2300.177468 4834.317545 4455.403852 1624.357278 Pseudoargiopinin III 5091.544683 6459.232068 3524.484252 3631.900195 9757.29412 4258.026219 6695.339757 5190.147176 4693.305629 746.2629148 3679.493406 1670.439675 1949.752891 1572.660462 8181.0751980000005 2016.924739 725.5995372 736.3947636 5282.324358 7481.500168 6853.565185 3295.625455 6460.86439 5119.743148 5185.4005 4203.95932 6009.579714 918.1907266 1508.632483 1421.290748 733.7759295 2230.259393 1396.718711 1089.81919 395.2154762 1148.892764 3368.888455 3319.986119 4079.525195 4806.567357 4210.883518 7736.753913 4517.65412 4510.019059 4214.738431 4929.486043 3749.310367 3694.861784 4661.842694 4227.225216 1494.509976 4886.69295 1534.296188 5333.6712 Taurochenodeoxycholate-3-sulfate 5.816559864 3241.79203 4.07813e-08 916.3364888 342.6288929 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3534.43382 5986.469649 8127.524708 4930.520505 6542.323028 1960.483906 456.7653351 245.4333356 291.8841225 193.7989547 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3105.117067 37.80560368 202.0105426 23.45285878 351.9492144 2158.850697 434.3559701 4.07813e-08 334.2582179 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2303.262466 4.07813e-08 435.1323953 21871.82905 590.7800808 4.07813e-08 6766.388028 1124.675033 LysoPE(0:0/22:2(13Z,16Z)) 4.07813e-08 370.5404149 0.125773479 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.892695977 546.1909811 2030.738311 3011.170713 2776.636162 2834.719192 2785.771036 13985.9551 17282.63803 17616.03864 5163.013474 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 90.16968041 4.07813e-08 4.07813e-08 12729.62053 11957.99143 8284.343533 20544.35523 1244.992849 2356.769654 4709.196467 31865.23133 35992.25619 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 751.2368344 852.7804711 1112.852258 4.07813e-08 10717.36464 4.07813e-08 5-Hydroxysulfapyridine 13997.44342 8116.593364 8081.540552 10615.39126 6735.120942 4697.315719 5911.567048 6374.437136 2854.232016 113.6848879 215.95285 98.1665655 198.4894187 4.07813e-08 96.07930029 4.07813e-08 81.92974865 179.4107951 13921.53723 11462.34711 17248.38986 21024.91859 12098.23664 3562.666569 20487.90028 18381.4483 6245.583257 367.3577826 511.6125889 209.7942446 316.1835985 1194.616403 804.8382251 498.7585776 4.07813e-08 4.07813e-08 20371.90868 10746.04808 14303.64958 6342.98788 21581.04694 19784.34657 3764.901549 15245.61781 27860.37127 2331.604558 3185.65535 4882.765261 13716.53341 6392.730432 857.8286028 4543.153747 4.07813e-08 3445.181066 3,4-Dihydroxy-tamoxifen 409.4741525 812.8429421 75.50751344 156.1323496 55.61470471 649.2864525 1387.026874 3395.678149 910.2261438 4709.902497 2742.264612 8050.697165 3437.092216 1162.369938 2013.818419 4290.962518 2255.257756 3796.227829 182.7878885 4.07813e-08 32.28509275 911.4281109 800.0262213 877.2048219 209.9351793 210.5123635 1124.655666 4189.602663 8788.845235 7870.649005 7119.462385 6859.964453 4988.560859 2893.206453 3244.481853 5995.149894 4.07813e-08 592.1027784 1086.584732 547.8956619 152.0142215 1117.220622 654.2840792 332.3879235 345.176793 584.8075548 10.69080284 631.8381446 989.765011 1048.961652 3523.882569 501.5006318 3731.03434 4.07813e-08 Norselic acid A 291.7389183 11001.97787 1629.774651 2058.732416 4.07813e-08 3171.828297 1167.979245 4367.096078 6734.096576 4245.590078 5443.809915 3055.953092 12537.31514 4427.488902 2013.536798 117.3944922 220.5236426 989.7614077 21.88586836 4.07813e-08 4.07813e-08 122.0524851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15896.65645 1918.719357 4.07813e-08 2055.091561 4.07813e-08 3328.780302 1761.534386 1912.076931 861.4269182 4.07813e-08 4.07813e-08 279.5505102 34.29921509 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26894.09284 7736.687266 20553.73959 17779.3809 0.159759987 3340.638084 60977.11122 16361.17764 Pisumoside B 4.07813e-08 2824.332802 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10026.80081 9855.285667 8506.253394 10782.46418 12576.26729 7324.959977 1602.106576 6504.34645 10378.44582 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108.71658 371.027209 4.07813e-08 4.07813e-08 4.07813e-08 5522.476842 7277.866428 11882.76047 6326.574903 18319.03797 9544.611656 7096.220152 1486.258095 3613.970701 982.8643722 4.07813e-08 4.07813e-08 217.4145375 4.07813e-08 4.07813e-08 4.07813e-08 33.71767424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 962.5989627 10649.77591 382.7284336 8265.231195 4.07813e-08 Albanin B 15559.65321 9348.199153 7908.339881 7029.377631 12860.74853 8244.10284 16710.41783 7658.420669 4282.553226 4.07813e-08 4.07813e-08 68.44379896 4.07813e-08 4.07813e-08 206.5866977 4.07813e-08 128.5761826 4.07813e-08 1408.945412 3299.262008 2233.560939 1588.254374 1249.505577 2945.452507 2059.613531 515.0487586 2087.113403 508.6596091 4.07813e-08 4.07813e-08 4.07813e-08 228.6877567 424.0864869 4.07813e-08 357.8324396 199.6184308 1849.987391 2948.81439 5691.090002 5584.954757 1406.81848 871.2745109 1184.356018 4.07813e-08 590.8491252 2016.196925 3132.808065 1709.728873 8852.068103 5169.251073 191.6996757 2723.60797 4.07813e-08 1820.321998 N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28.82953486 12.62853846 69.48610338 15.43197797 8.289889603 24.70846526 4.07813e-08 69.0661866 2.554127517 1102.353484 1094.316994 1039.704694 991.6969746 946.1759683 1371.014077 1148.238281 1130.346405 841.5280914 40.86905496 41.54148599 19.9574788 45.30155854 243.4575399 91.52708079 4.07813e-08 12.45894783 85.43697559 872.7200567 1077.881867 777.8858473 1134.648547 630.8501445 1064.913178 1344.754907 1243.377702 1564.22938 728.804254 648.1984904 774.6467687 481.2883416 379.6043147 42.79874221 1009.176714 115.7928817 921.7222905 Marshdine 1545.025609 801.9620686 1264.757531 1520.001207 1638.019399 1570.267132 1098.859914 1145.854652 1395.027873 725.1860635 128.4454829 172.1724297 120.6110336 213.5586412 4.07813e-08 109.9576573 112.4304434 337.5504778 2074.916254 2324.160165 2030.545523 1737.629884 2417.850115 1936.029682 1670.19396 2550.116191 2787.423987 87.48432955 160.0350029 393.2921585 407.7802915 555.8306954 260.9358376 120.6021228 4.07813e-08 115.3237936 1906.475543 1557.527998 1656.384865 1934.387163 2196.561986 1793.157267 1932.784537 1837.996461 2846.365756 1965.236127 1396.408924 1541.980997 876.597052 1661.93249 366.3293529 1577.776378 4.07813e-08 1775.008377 3-Oxotetradecanoic acid glycerides 5669.556407 4257.735502 4534.179459 3363.102115 4607.310555 4695.448834 6230.117919 4270.347878 3981.271982 1496.33976 471.0749212 291.9914341 983.1499046 673.9674369 10.20579841 3.036869659 774.8730051 318.1074631 6312.318509 10309.86271 5585.296018 6286.014765 9494.709563 11020.73221 7001.667096 7617.137914 10056.79109 376.5393548 132.324246 495.603456 563.3275113 683.9488508 484.6330628 102.1364764 1073.379278 624.8132939 4295.418643 7926.883986 5377.161726 6287.254697 6401.284849 8530.832212 11652.67931 7530.406325 9043.782494 7876.608782 6047.60922 5361.601804 4279.764238 5701.424792 9.170433592 5994.126307 541.3127621 8541.915132 Deoxyadenosine triphosphate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 427.2754324 4.07813e-08 4.07813e-08 4.07813e-08 2220.677356 3871.878872 1553.863094 2179.2353 5709.764055 535.5162953 5190.05019 3744.060342 4373.822424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3603.699992 1611.857747 10266.49586 4711.74129 6153.001055 1069.882936 1579.779551 2770.362168 6755.48891 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 379.2121481 2123.814488 4.07813e-08 4618.224026 850.9405524 3'-O-methylbatatasin III 1960.243535 1298.72581 1513.800425 1641.324412 1652.44714 1168.71631 1539.337086 1039.25203 4.07813e-08 4.07813e-08 231.9157597 137.3495362 281.8010665 4.07813e-08 4.07813e-08 4.07813e-08 123.9551825 464.0120392 3021.573629 3176.582266 2436.443874 3118.508065 2890.21326 3738.632833 2136.832317 2393.693664 3385.482019 4.07813e-08 4.07813e-08 280.8042927 210.6917752 457.5559428 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1979.477457 2768.420111 2381.100314 2363.570611 3526.960767 3887.545036 3245.899644 3088.127784 4262.849739 3411.36003 1444.821896 2257.152285 1507.1108 1277.662796 114.9770025 2805.036248 4.07813e-08 2286.835349 YC-1 3268.479179 2963.189801 2514.104036 3781.557718 5858.278773 7502.208808 7752.725204 5051.228092 6115.895715 301.0837181 145.6978391 346.3503506 4.07813e-08 395.8108064 4.07813e-08 105.2562728 448.5427379 173.3563221 5210.911361 12892.63961 2619.814528 7396.449189 13700.21026 20034.33113 13997.31042 11834.01885 16753.73488 4.07813e-08 330.5830762 141.5104436 606.8329941 217.1442706 60.66411352 4.07813e-08 4.07813e-08 319.1083894 7454.560624 6133.481408 1806.264717 5285.39528 7887.566597 6323.904155 19940.53432 11784.3114 10039.5132 13098.48649 5108.921005 4790.484986 2126.874605 1499.136619 217.3578198 2302.581197 356.0504395 11946.05061 6'-Hydroxyhydrodolasetron; MDL 73492 3841.603517 1538.518914 4296.041231 5398.362518 6242.853944 5905.935007 4034.236421 1213.639158 1706.931904 17.38825958 621.6265681 1283.307462 259.1847132 722.3164378 961.33492 781.5385752 69.23448712 38.18937822 7591.643662 7295.533085 5722.490711 6623.385686 8123.440698 10031.70502 8042.036551 8817.725539 9591.605884 47.58800718 38.97631948 585.8039723 1113.946585 1219.947698 785.6851392 209.5660857 527.79049 844.2914393 5012.127301 6014.204198 2694.589859 8298.589674 7813.746562 8046.786271 9086.185489 10426.21684 11627.82684 10212.64124 7135.494275 4978.486905 4117.359848 3675.230015 643.3672299 2814.63879 831.8606795 6618.078772 PS(15:1(9Z)/0:0) 7264.321472 15280.43129 3103.75721 11245.1066 2039.867596 2547.616221 6425.982161 11294.29564 9299.462189 4.07813e-08 4.07813e-08 4.07813e-08 3.776289088 4.07813e-08 4.07813e-08 4.07813e-08 18.74959979 232.0806451 2947.980072 3330.372896 1988.354875 4.07813e-08 1128.476813 1811.561705 2341.157406 4.07813e-08 842.2343199 4.07813e-08 4.07813e-08 4.07813e-08 14.96422683 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4142.089972 3506.153421 5517.374066 2421.016589 902.0078576 611.1163244 4.07813e-08 4.07813e-08 4.07813e-08 0.703373481 2864.337749 2427.054096 12417.48994 12596.67683 27.14081156 2838.516295 4.07813e-08 2968.27743 MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0) 22734.164 19083.67107 20616.87705 20907.76043 29751.6854 17732.40629 18035.55893 28678.90126 26741.38309 8472.760468 7932.642382 8346.875893 7803.20095 8673.244196 4604.495373 2702.8177 4430.90897 11642.94524 43016.60064 31974.53838 26284.58187 26408.68161 36678.5262 29161.49685 28194.63224 37773.33248 34440.87777 10275.66063 9137.71969 10722.01893 5637.619617 9814.013303 9583.722082 8420.287966 33029.21526 6949.449487 22802.58171 27352.35879 26447.21815 29152.77451 30905.08671 35217.30995 29693.42363 41005.16127 51670.4605 22679.5052 17039.37941 23424.12965 19092.87977 20289.71351 11458.96244 21558.25901 4724.812633 19572.36707 Rimocidine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1468.177479 36013.53429 60261.83936 30339.66341 34984.51184 9461.828941 93836.6727 108324.2879 46604.06546 13027.75034 4.07813e-08 761.0609543 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27287.29998 66805.41597 8728.816507 65014.34257 1936.700807 39440.08639 73889.87644 56210.87625 38300.42959 4.07813e-08 4.07813e-08 4.07813e-08 476.9247962 1875.416348 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 211.0277007 10767.57053 4.07813e-08 21472.84651 4.07813e-08 Dendrobine 2377.61265 1977.041016 3365.113148 2765.403323 3443.353428 3249.297574 3931.277716 3337.151869 1733.356263 4.07813e-08 4.07813e-08 4.07813e-08 76.27995159 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6125.788679 6891.551839 3067.733111 4958.455826 8291.983871 8412.329539 6525.084757 7765.547792 9402.873916 4.07813e-08 99.76190896 4.07813e-08 4.07813e-08 101.2483023 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3787.492517 4727.613718 2181.314568 4837.320893 7331.546963 6642.452936 7209.677264 7943.847705 7865.574109 5664.991761 3467.09473 3685.536448 2254.922009 1676.71214 4.07813e-08 2848.768169 4.07813e-08 5708.576057 mLPA(O-16:0) 22276.28755 17943.4408 21668.49356 20764.46573 23283.32849 16570.61005 17997.37997 25505.04048 28339.45723 6509.802363 5893.385838 7449.939553 7712.928868 7434.791655 4916.56305 2087.74052 5916.730618 10858.53322 33954.73518 26980.38362 21290.43091 24838.33294 30640.62749 26031.87844 25630.4461 28765.1598 29334.21674 8449.229002 7697.459455 10537.09128 4373.322344 8232.124288 8597.346795 7998.932371 5093.232887 5986.923688 18977.70084 24914.02389 19808.59409 27070.89245 28361.98495 28988.3931 25289.26493 33953.50297 37667.51277 20056.26862 18022.9351 22659.26411 18337.68633 17176.50897 12512.86654 22088.12893 4628.389544 19675.98268 PS(18:2(9Z,12Z)/0:0) 5320.252069 4347.223039 5848.957747 7778.014177 7982.941406 6167.953296 5799.552764 4416.962024 12290.33227 3500.308317 7290.056723 3145.364285 2062.633324 2164.889738 6010.296675 11244.85904 4413.754922 8989.521892 15955.82345 14316.46357 14608.11453 11264.72269 17888.9538 13193.11148 12074.60792 13262.07254 16626.495 2638.422586 2681.06449 10941.0098 4482.730813 7550.306695 3792.381322 15896.26787 1999.112583 12137.47522 6842.605406 15202.87422 9064.852991 13302.3738 12750.57267 18535.42246 10498.35163 15384.26409 15123.74277 12528.96161 9352.306403 10197.74105 9339.4835 7567.147768 1846.382542 10222.65546 1235.166977 11185.53336 N-(2E,5Z-dodecadienoyl)-homoserine lactone 2860.812058 3036.401226 2280.38118 1805.724081 1575.103336 3395.273053 3527.58905 2062.236861 3325.452273 198.5301901 4.07813e-08 55.76954485 74.78894668 4.07813e-08 408.734237 4.07813e-08 4.07813e-08 4.07813e-08 2205.313842 3030.946675 1636.412108 3043.16357 2672.317409 2793.158545 2258.207878 2109.147518 2533.653945 64.62473019 92.13206521 624.8244596 737.8001468 4.07813e-08 4.07813e-08 1137.461973 4.07813e-08 362.2190256 3123.678958 3264.33692 2082.245614 2003.676087 3584.883078 2847.575767 3411.438102 1834.865721 2003.682609 2575.035841 2367.779171 3453.98787 2225.21457 1416.151664 240.153952 2674.063626 404.8803079 2935.254011 3,4-Diphenyltetrahydrofuran 564.7309169 419.0194036 676.0698326 195.8901878 367.1688669 658.1217995 760.259397 235.155611 214.5571936 131.5124112 4.07813e-08 68.68336523 97.45514188 147.8542481 232.3659701 4.07813e-08 191.7760974 58.58810519 1104.331803 1336.570478 766.2115523 973.2860501 1268.24608 1506.783118 891.859564 1975.617366 1090.063066 189.1319138 339.8424826 84.59519475 192.7807256 247.2024598 184.7880731 189.1171934 4.07813e-08 4.07813e-08 1046.363879 1219.18464 1244.792785 1077.173973 1084.304087 916.8263637 1245.980528 911.2488358 1352.554119 946.8168538 776.0280111 667.7476702 574.1152239 745.0680968 388.0558257 793.8973243 174.9707746 691.6487685 Delphinidin 3-lathyroside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4365.244574 3575.032348 4877.656748 5070.778929 2552.40021 4276.537037 1725.668145 3330.429211 4690.185589 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5630.984232 6771.640813 1911.997105 4534.20377 6032.185794 6782.101014 7465.051958 2537.532261 3243.80311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4979.823957 4.07813e-08 6617.569285 4.07813e-08 Lepidine E 6071.137701 4060.064902 290.5514508 2003.08219 2.409532831 589.034086 4.07813e-08 134.5970115 4.07813e-08 11028.75524 13976.85273 13188.90785 10595.04273 2152.67249 6827.641265 3059.856307 9924.250933 271.5998476 388.3641034 153.0559929 4.07813e-08 520.0452405 355.5620599 691.8855745 551.1669527 929.0218479 789.0577828 7128.918725 11695.3813 18955.198 3296.220468 5992.797598 9875.661901 13797.80665 12950.61039 407.516392 6632.390709 153.6965573 8.165531268 481.6152606 538.0103193 496.4130219 26.75032298 172.1888117 240.5267786 145.1765161 16.01709509 754.8935032 1588.700496 534.9862427 11161.478 7.247692495 18433.67613 6.637773187 AMC Arachidonoyl Amide 6070.190077 3806.117644 8124.109377 3963.535154 9653.93312 4146.985933 577.927078 6135.764479 16025.37783 72.21324526 12.60431466 1664.704099 7.169275126 9702.750214 1909.418022 1217.474444 4471.214568 77.75806869 4525.853973 5115.104708 7778.113822 7558.603068 4.65675e-05 0.514530062 3931.534257 655.1011428 403.1982977 1722.975914 4.07813e-08 1656.98241 3027.873557 292.6367127 197.3082745 8.611742208 726.9547592 801.1124059 4471.322656 3887.748578 6203.498777 2896.337255 6519.153258 1580.478435 4.07813e-08 2.070507205 3022.076909 1.187003439 439.8673333 3504.360612 8153.002952 7680.473437 0.52626351 2174.374402 4.07813e-08 679.6037997 Myricanol 5-laminaribioside 499.6699522 2090.666814 4.07813e-08 308.8743857 4.07813e-08 511.4174168 1517.490842 1052.645119 442.3953265 5673.381077 7094.207838 3497.896922 3541.558537 5428.912882 6233.621161 2185.057612 723.7910107 12182.14726 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16061.19639 6302.680487 4244.366446 7337.567308 21902.65949 6774.61911 5562.581779 1316.781659 5639.207275 920.2847166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 387.0522279 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 342.5831963 2723.758 2175.117496 6206.079781 4.07813e-08 15447.15514 783.8586202 Arctiin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59738.03552 69957.95637 44787.16751 42641.2115 73365.71454 29286.35946 46379.61736 18788.15438 45659.61776 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1288.181872 40307.15803 34858.14697 13179.7315 34108.35727 13428.1462 7013.15032 6266.562598 29974.50839 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17040.11251 4.07813e-08 45548.35262 4.07813e-08 N-tert-Butyloxycarbonyl-deacetyl-leupeptin 2279.669198 2538.43311 4566.754574 6932.023612 21536.28697 4028.464733 4368.649299 2565.937635 7337.001812 6194.101948 4.07813e-08 2237.036117 6009.249743 4.07813e-08 4301.629012 4.07813e-08 16925.29209 11412.31737 9556.001651 617.1775119 5582.541832 13684.43208 16360.95548 11791.42581 7848.66803 8303.566265 13173.51441 20238.40728 797.711541 9264.889835 4.07813e-08 4.07813e-08 2912.018557 2443.794036 5235.368388 5437.043656 8941.111243 8535.670311 6175.26356 9974.474563 13256.24541 16355.90553 14163.78557 7004.341489 11646.52903 29136.32088 11917.53975 12946.49723 5903.859457 2428.78953 1652.61292 10012.17066 4.07813e-08 6794.097537 Bilastine 5470.658859 3443.647437 5345.032636 3877.717065 5767.120302 8425.682965 9158.337208 5420.575871 4378.546668 211.713235 4.07813e-08 275.2631469 118.4238246 75.2345438 975.7010779 172.2294306 61.80349204 189.1953342 3467.211586 8509.349202 2146.729506 8720.450368 18944.07 24082.06773 11439.63169 6717.43249 13812.8583 593.5434844 696.8021573 1220.451028 970.9618234 2232.943569 455.8435082 1006.564254 143.2504475 359.4864277 4026.870403 6083.596189 1909.221863 6400.264972 9122.578143 11589.69027 18688.54198 7503.674497 7910.728591 14551.74342 3487.527159 4235.431989 3002.043976 2103.930207 874.4455705 2789.729829 970.1799667 13788.91775 shidasterone 4158.338255 5916.113365 7724.299233 6713.867785 7841.565766 4640.808259 7236.511823 5530.457138 3758.391538 2779.18892 1680.271584 2678.028481 2653.865472 2458.727948 3593.937003 1094.058512 11526.38125 7512.881387 2313.406962 2553.799316 1036.570065 4736.828298 4462.151398 4065.487197 4147.552688 2793.025193 3501.315928 3847.292798 1086.543425 531.0828834 543.720244 94.65142414 1900.40372 753.6645523 3204.933937 3428.247553 1075.441262 3988.695027 2646.003691 7740.57739 6086.563037 2856.767022 3988.577688 2992.303664 4561.748635 6668.494181 3604.872801 3829.783459 1533.225987 945.5252102 748.1745301 1930.601318 268.6822768 3235.723875 PC(O-12:0/O-1:0)[U] 4.07813e-08 390.8710719 447.291435 282.6384318 476.3057557 4.07813e-08 514.7546966 4.07813e-08 4.07813e-08 656.7037061 1310.629329 519.4527167 591.6894457 527.3740982 3932.438581 4.07813e-08 123.7808082 113.651904 2329.789408 2595.393684 899.7863476 1704.830748 885.6864121 1333.442665 955.012546 2705.556913 1395.185097 809.7335313 2011.118621 767.6709934 1339.355213 2152.789695 2475.294702 1189.124817 189.9491238 4.07813e-08 1469.785943 1891.473456 2202.346454 22.76778666 1351.643149 713.5936866 703.242825 1079.460574 2145.225939 1872.886571 1012.112297 1786.480842 1022.728666 2446.473816 3024.88677 1919.850329 3505.836545 2450.724668 Dihydroxyfumitremorgin C 4.07813e-08 142.7600824 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86.21101758 4.07813e-08 12275.65216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38952.59857 2688.025205 4.07813e-08 168.6151704 395.0552998 4.07813e-08 4.07813e-08 100.1178876 4.07813e-08 4.07813e-08 4.07813e-08 48.84205802 54808.67774 32.41887634 14653.35899 4.07813e-08 1388.603656 3633.562154 4.07813e-08 5933.113759 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 90.65409231 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 82.03814897 103.3110254 4.07813e-08 5641.543388 4.07813e-08 PG(16:0/0:0)[U] 1709.818695 3341.792181 2370.533215 3498.196882 5550.975482 3956.195484 2069.744623 593.8715346 1372.62881 298.9004659 104.6846358 249.2547896 249.1716273 4.07813e-08 0.980041918 4.07813e-08 198.2506367 223.5095447 5775.261472 10685.84831 4279.700658 4429.986367 6048.218629 6105.422798 5115.183295 8074.432105 4124.365406 1012.652664 8.005318351 276.3451179 0.30118058 3.818691891 127.8437613 928.7768238 274.7717089 0.068882534 2374.333603 4803.128234 1045.938457 5569.212909 4370.455001 7084.441856 5178.495384 8768.612467 4654.169188 3758.368992 5761.755217 1751.622635 2288.982227 2531.668342 147.5550083 1702.270053 1591.686929 2062.652498 Halfordinol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9634.074001 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19495.81938 17509.76646 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14725.37009 4.07813e-08 7107.567975 4.07813e-08 14984.25564 9979.67961 4.07813e-08 9108.564098 45.26861608 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6881.651771 4.07813e-08 CPA(16:0) 323.8710529 247.3564309 270.9325205 351.648052 370.0961393 315.636071 376.1558572 112.1970324 365.2505664 385.7147833 99.05569497 1654.447095 208.2775563 22027.8301 1319.879754 1120.166027 4.07813e-08 2029.143378 860.3817128 846.0725505 619.5466605 755.9302522 1068.499652 986.0102747 885.0268913 613.2368959 650.9890962 4.07813e-08 315.5020987 11.27790146 33.03586087 201.7057762 267.0233328 298.0567139 16.14072647 34.02146279 511.5114724 749.8572299 652.1138275 771.5465382 701.4685358 862.4092663 611.3340086 617.1138177 793.9570838 699.970187 803.3883425 728.1399771 526.2375585 456.0512352 380.9340376 728.8164133 56.51239912 316.7166654 Canthiumine 4.07813e-08 4.07813e-08 4.07813e-08 417.4118709 108.4898233 207.0531595 4.07813e-08 37.54569791 4.07813e-08 667.8786388 13766.93526 3495.691058 16.59911465 18089.56634 14529.05089 77891.35488 845253.0712 602.7423093 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 105.6674624 542539.3076 217.4636668 1344.305312 89.74995139 1124.52993 5611.77554 417.7720105 372538.0038 258.7211068 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.52812071 0.914081995 0.801480936 11.13750502 17.01779357 4.07813e-08 1743.041398 6.959421079 10.85930523 4.07813e-08 Geranyl-hydroxybenzoate 1774.834963 3071.315163 838.8839975 5946.403622 3825.835936 2477.669329 3324.651039 3777.139368 2306.661873 4.07813e-08 16.15988992 4.07813e-08 35.91459285 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 107.3969767 2359.802205 110.0876462 1188.140446 1311.39737 597.4616869 722.7110146 654.2802428 398.2529643 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15.47344622 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1121.952532 2940.540509 270.4091605 801.6438629 998.2966657 660.0289174 463.8754725 732.7155185 419.3098998 1224.251377 1083.170746 1259.798843 340.1127945 2040.018874 60.35763881 1368.071042 4.07813e-08 1730.530485 3a,16b-Dihydroxyandrostenone 2484.278702 5061.747324 1840.83946 683.6209987 857.4445276 2561.118996 1952.370712 3830.805784 7198.709313 592.3323656 625.32859 4.07813e-08 1106.66669 2108.521576 303.8911927 4.07813e-08 189.2204091 110.6050034 3988.960266 3394.077033 2778.386321 4065.361227 4373.163582 4532.66326 2468.761519 4847.825674 9586.941977 292.6076523 806.1562277 85.12468128 506.2385898 990.2034021 494.5193957 128.1106024 146.4483273 4.07813e-08 3848.593861 4450.6732 2696.945076 2963.183848 5116.253147 4249.642994 4532.045236 4692.646301 6072.192612 3861.750598 2100.265272 4705.946417 3846.766555 1274.640328 970.0469789 3703.383274 821.7289334 4037.159164 Lauroyl peroxide 842.493292 370.0931032 191.1970361 2242.070904 3753.078976 930.3940609 2509.869562 3128.686518 2101.86807 4.07813e-08 104.4700595 4.07813e-08 0.709638484 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3027.856531 3590.405194 1830.899264 5972.048995 5643.387066 2268.766381 3308.913873 2323.604749 1980.958456 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1649.557523 2655.735143 1682.593589 4177.431778 5833.721098 4817.994833 1780.504196 1612.376643 2800.118803 5399.768968 5121.273793 2551.011731 2123.125898 1902.531587 1039.374743 2903.947261 137.5750008 1480.328792 2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone 3876.527417 1340.214849 2735.586813 3578.888198 3802.24126 4936.387442 3444.623243 5094.903254 3345.054937 372.7501275 466.1400318 66.26163662 365.0713193 4.07813e-08 542.1461292 169.8568606 4.07813e-08 413.73788 5345.777524 3302.781722 3818.243032 4034.336842 5166.526992 4590.18656 4020.618275 4433.415324 5546.103558 227.333419 89.87611219 143.2072802 299.2153783 306.2887915 155.1341362 64.73146611 341.0841119 207.6844561 4112.935517 3880.592609 3902.969783 3120.147421 5260.564408 5672.42968 5379.151434 3649.218302 3647.622298 4039.843254 3771.270869 5205.435175 4533.345455 1974.286145 1195.354888 3332.146568 589.8536969 8241.646095 PC(O-14:0/O-1:0)[S] 840.4143281 174.7282864 4727.559979 1864.768569 3032.369231 4476.86944 2464.632485 1216.976722 940.43135 574.8743831 231.5022213 536.6447831 366.7737674 923.4380998 582.5288748 4.07813e-08 694.3023426 36.4087143 3026.942371 4169.261591 3854.836198 3423.253073 8380.415877 12024.12825 6702.895628 6870.450594 11202.46556 400.428271 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 100.0415561 0.116173931 431.4302847 4.07813e-08 821.552276 4655.405849 2658.702848 6616.572359 4030.335056 5501.999961 14104.85612 9004.085451 13683.16426 12154.96367 2299.288277 5084.182078 2644.438167 1092.63703 90.6405322 5143.47934 9.237364696 6553.050714 Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha,6alpha-epoxypregnane-3,20-dione 1674.516522 1636.703 881.3535525 1943.852762 1680.623777 1385.784797 1572.023989 288.6867496 285.6554679 1116.51589 1583.600491 983.393527 1053.631513 229.208282 1443.5329 138.9719868 225.5693764 188.3532672 3360.698289 2778.825163 4681.249051 3706.941247 4527.996076 2742.648461 2327.594111 2560.778782 2278.205087 1237.265023 583.5110003 692.0400664 662.1366594 712.3882699 184.5710213 865.6366912 421.040559 634.3545881 1416.831555 2353.716733 1911.151136 3592.883156 3328.672715 3178.848165 2648.704864 2110.149174 2403.036994 2430.218817 785.7785927 1340.923176 766.4106626 1743.801007 976.7087622 1709.447999 1762.647209 1449.559961 22-iso-ecdysone 346.9839846 1568.838682 1090.283447 2725.663414 3104.159002 2780.532868 2137.261401 841.9217926 3182.853353 921.6890976 1527.109933 2395.491095 952.414037 1678.909319 3748.56857 613.1223384 5466.213956 4735.314126 1801.029198 3933.483159 2263.095712 4783.457948 3914.511123 3000.571154 2631.762229 326.788912 928.0034582 4992.223835 734.2408425 1962.095206 263.7875117 4.07813e-08 750.5827212 4.07813e-08 1277.400895 713.0127313 1824.546741 2852.524231 1359.280839 6689.89097 4142.711132 3196.459801 1293.842374 368.3957235 2173.481528 3702.232557 3355.088218 2245.820937 407.7561622 818.2362339 605.9291217 583.4478733 4.07813e-08 981.3986233 Barogenin 3927.604502 4725.567875 5188.844892 6640.506994 5724.71318 7536.144268 10279.06395 6739.4189 5848.189191 164.3497008 722.3847626 1622.518061 468.770828 1710.68411 2040.096581 629.6826822 7638.903566 1475.039333 6829.952481 8405.869606 7147.256906 7738.640978 12349.37487 11882.96186 12460.72516 3203.252656 6273.813761 788.7987366 120.6171925 459.7136571 89.19524704 1143.506419 29.26567809 660.2441431 3071.077071 992.3472309 5577.824107 6022.510441 5941.790641 8459.510217 10653.29618 6633.831309 12367.43471 2684.817052 5130.178197 19324.43907 7978.410585 17153.36361 4847.782979 5732.986239 446.3740562 7781.122987 485.3114903 11800.26608 Trihydroxycoprostanoic acid 670.6738619 662.8062011 867.2809578 8981.673067 1884.415028 4360.216878 2866.858176 3561.275786 3928.53366 4.07813e-08 576.2130582 857.559344 6.270918074 4.07813e-08 212.9044922 4.07813e-08 2542.059733 472.1989621 10840.91324 6758.761392 3322.520806 11950.30329 6144.624918 11917.61816 5589.880627 7949.577752 7515.516299 210.2327118 4.07813e-08 1804.367654 154.8824346 262.5375352 134.6824586 4.07813e-08 45571.28488 240.7455302 2627.800683 3842.059371 2787.050792 7909.174006 13332.90541 5178.136278 10372.61588 5777.353772 7072.493066 7358.109041 8429.261734 7805.642036 3685.692363 1537.002918 464.9699398 6092.59691 1600.382043 5639.160554 27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol 10692.23963 14821.28716 17654.38429 11077.40456 14285.27098 9580.040817 9742.042752 9796.166939 6222.591221 590.5229387 2173.740286 1125.901556 358.9994546 3393.768774 2086.175265 4.07813e-08 1574.240258 5289.07596 781.9077487 665.3507125 430.0670765 2056.912731 1434.748208 1636.093581 733.5785117 1217.361341 163.9289499 94.33891149 4.07813e-08 4.07813e-08 4.07813e-08 106.2481426 4.07813e-08 4.07813e-08 319.8903924 912.2386494 1850.756802 80.14446336 95.9606544 404.9327498 891.8352759 2261.268283 1409.840077 440.2680995 1572.95508 21.09474782 292.5377777 162.4384882 33.76223634 0.237635762 4.07813e-08 32.08600446 4.07813e-08 2390.102202 Xylene 4038.276975 5280.874562 10059.18714 3732.454254 3324.279286 7942.553796 2969.365289 14573.30406 12136.23405 4.07813e-08 59.70493487 135.4629885 61.0157062 295.6970449 639.2187702 250.9888263 1031.432785 4.07813e-08 27294.48775 12814.25463 15903.01509 8300.877239 6571.703015 2200.608692 2688.527335 1186.844598 1580.226924 4.07813e-08 129.8215184 465.3525069 259.5450531 65.19910828 69.79896922 95.61120558 439.7586642 69.65580507 10725.58732 7917.551396 13909.92634 14447.24105 6023.872505 6947.203852 2752.732204 1477.191614 1389.20032 35424.02941 26770.46625 16249.50561 11479.08429 4812.334277 591.3835294 16854.49485 262.0666596 5973.07603 Ganoderol A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 143.3929442 263.3683173 4.07813e-08 4.07813e-08 1352.122631 1272.393576 1133.030698 1627.599396 1341.665747 1203.350632 461.008362 1264.739283 157.0854368 331.5201005 165.1530819 861.1619358 112.1299756 1708.79251 1175.483238 438.2846831 4.07813e-08 606.2623986 1534.229918 1159.07554 1487.801454 1883.920537 2275.913053 1131.197384 2398.590125 719.6305452 1010.070972 4.07813e-08 209.7441255 601.666582 764.6969998 1163.417982 834.8775222 1056.029788 4.07813e-08 144.886723 144.0593772 137.4546775 561.9349403 157.9733748 460.5918192 1965.916184 683.467288 1783.422407 4.07813e-08 3b,17a,21-Trihydroxypregnenone 8580.376996 868.5994778 2249.87717 5267.727002 5554.018489 14231.05293 4530.705237 2080.059108 2445.295468 4.07813e-08 28.74604206 4.07813e-08 75.89435008 83.17521968 4.07813e-08 4.07813e-08 301.5561259 4.07813e-08 5236.331891 5435.18926 2877.298706 4215.692585 9356.7872 16401.2112 6236.344038 6348.219276 16405.9922 4.07813e-08 4.07813e-08 164.684151 48.86844117 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9624.087603 5315.17747 3890.129675 5106.57196 6433.229231 7727.510609 16201.21253 3962.950517 8115.912077 3560.080186 2388.637122 3706.151412 2677.290744 1093.386679 644.5887237 1873.634925 105.6168306 7897.614239 17-F4-NeuroP 4320.501925 3176.294901 7225.220826 6300.658375 4986.117301 7042.991332 5221.586583 5088.065336 3786.680013 250.8382101 4.07813e-08 29.26278867 249.0498795 307.0885116 4.07813e-08 4.07813e-08 4.07813e-08 538.657461 9602.414817 11452.60656 7474.327785 8173.462389 6732.73785 9846.176709 5063.109324 6289.312517 5420.054484 4.054050821 4.07813e-08 4.07813e-08 10.52936383 4.07813e-08 5.849361876 4.07813e-08 4.07813e-08 4.07813e-08 4727.416811 4506.37412 5494.545479 5686.263278 9409.445055 7500.554821 7046.134072 5752.112303 6656.127972 6160.968336 12580.27474 7356.017136 5365.785667 815.6922982 2971.322227 7659.937336 154.1996066 7059.745563 Queretaroic acid 4804.141607 850.9408285 4853.104723 27778.14642 6544.750552 12993.1638 12545.43169 1702.39828 648.5218737 4.07813e-08 137.6612508 279.0922305 120.3535873 225.3377655 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13494.31911 10700.76874 11949.16284 23950.29808 14596.07179 18877.93322 10997.98456 8400.701258 18957.03544 4.07813e-08 4.07813e-08 494.0267812 223.7715184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5826.750526 7524.176026 8330.179002 19185.30924 25049.12369 11517.9409 18642.85665 7101.6657 15016.00072 9487.208834 4163.125582 12257.76874 6146.013528 5079.936732 404.374971 9651.661544 509.5635719 11058.75791 9,12,13-TriHOME(10) 27179.16516 19323.87916 28290.93748 20314.47053 18315.81746 25008.32156 16684.79027 15217.14871 15399.12187 4785.145093 3803.405498 3108.30844 3837.502244 2619.803986 2419.28167 4489.045311 162.8587403 1104.472431 21922.22372 18624.47788 23031.62414 19350.25246 12358.17769 8934.315452 9752.061373 5687.83057 6750.32201 124.4779214 2594.474273 4944.094724 3461.852584 4962.437046 3765.523339 4483.962347 1033.623717 3181.578338 22733.52244 14006.41507 22235.63132 19607.16436 16195.95783 14943.02874 8031.784419 4006.051615 6571.935356 16581.12357 8364.984132 15902.54685 11501.35132 13036.03239 563.2694851 19778.17896 2239.652381 16201.40987 Schidigeragenin C 6833.470096 2024.740267 8521.572211 9089.717508 7415.829219 8929.967204 6889.42013 6283.858438 5566.256378 309.9380487 1536.765673 6300.48777 425.9069776 8850.011675 6935.381217 4273.924228 25081.00188 8326.515378 6269.449466 4525.981263 6494.590833 8941.840802 5787.832668 6999.551255 6485.867414 1827.162694 2203.07858 8056.2082 1494.462081 1741.076554 3191.976004 1988.844216 1958.964324 2265.753723 12145.34899 1709.428494 4954.504866 4015.502055 6685.4687 10030.74501 9972.4612 6554.506473 5873.311738 363.4174923 1297.63275 6360.664339 5050.739824 11132.39443 5619.048845 3768.599602 1942.776312 8879.781184 160.9757715 4313.26461 Dehydrocarpaine I 7827.927656 13874.86575 13081.41629 16114.90195 14002.5489 10010.75888 8284.95626 13769.06891 12718.74779 13616.51043 14774.70921 19520.30505 16342.84881 16227.31497 9976.852341 8346.768699 14258.23502 7233.640171 15060.31023 11252.69268 11240.56591 13974.28692 10461.35268 12323.91358 10535.80276 13777.7519 9284.600586 12508.40833 19237.56473 11267.07547 10564.48489 14561.78361 17652.11585 14373.74664 11860.22783 8121.013081 18115.47798 16055.76961 18077.5757 16030.2335 14882.0224 13329.67534 10884.5158 15345.32054 8705.912347 10135.48405 8102.555177 8134.563581 9076.051455 14096.62169 11588.66322 8333.949795 11471.80964 9308.252087 Polyporusterone A 5509.522412 6015.350536 6627.546383 4151.60125 4054.652886 5953.392766 4185.655409 5984.115931 4595.808856 4.07813e-08 2636.14858 3080.541601 488.330425 10621.98578 4949.002824 1584.099252 28494.16129 5431.562088 2631.808269 4072.176452 1657.956118 4412.052132 1810.405816 1741.257977 949.9827945 771.6776897 4.07813e-08 3078.956105 645.951459 14.26817063 719.4667821 189.4727803 4.07813e-08 293.8376062 8022.206626 148.5359981 2646.47295 1398.181869 1462.317341 3561.3161 3640.007266 2636.804875 1090.607881 595.6102332 563.434474 2629.525156 5550.909333 2475.96474 1291.105339 883.8353012 1609.673579 1242.840996 163.2878413 640.0646679 MG(a-21:0/0:0/0:0)[rac] 286.2849991 200.4285068 209.4327985 645.2316528 325.2959927 156.7764602 473.6421485 165.2889512 1196.206326 8.507779935 15.87612832 28.27152455 1.469510706 537.8830059 61.2379111 7.495136823 1357.912221 346.3667351 1164.021398 1285.379698 770.5307674 342.5079887 505.0929321 818.2081754 840.9052408 4613.177848 1758.434979 18.48741264 12.28609983 61.08798412 15.35506838 51.53385559 11.41473559 120.0327176 47.83595083 25.97303202 188.658175 1344.56114 247.0075169 2279.22404 255.9712146 258.5007817 394.2078152 3127.405693 2077.680949 3075.638956 3293.923948 1540.949234 334.5700815 546.2409485 4.07813e-08 899.2903186 123.8000351 1125.406936 Angustifoline 1436.846362 3279.92093 241.6581075 4.07813e-08 4.07813e-08 4.07813e-08 277.5750973 1351.506133 2829.515403 2898.963263 2518.88868 4343.668787 3469.656635 2149.778514 2213.95647 3833.373565 2472.898759 4382.779328 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2791.907114 5372.05011 1527.879344 5718.073861 3622.380825 4066.247376 4311.261946 6218.836835 2954.692637 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1825.331611 1219.505297 3911.817075 1386.051749 4739.925386 1416.65748 3483.497307 2575.27331 PKHdiA-PA 23870.47663 53826.56458 6716.567461 1111.784853 5746.094059 12565.17411 8598.930005 36130.04885 36846.22159 83500.39479 34071.72895 130699.163 72074.90566 121086.8215 105769.6714 146846.3156 120619.8556 154420.5884 295.302837 232.8128755 1001.161655 317.7254211 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 93783.02758 127503.4322 44206.66434 92706.38685 61372.17244 64066.36711 100318.7643 145880.3391 79739.6986 780.0449973 4.07813e-08 935.0112664 73.75250476 4.07813e-08 173.1735985 74.10763177 4.07813e-08 4.07813e-08 1633.474982 56784.08288 22919.52825 107032.3711 40800.7266 98027.73947 37564.82654 64402.64694 52713.22503 Demethoxyshogaol 3610.331459 5470.663806 3684.713345 1941.752309 2785.117386 7180.240524 4193.508602 4652.493895 6480.815913 5994.132667 3002.637877 21093.9137 8814.75663 29292.29384 28168.81709 16173.85947 27524.35776 27643.26369 2771.912875 4887.921772 3532.48729 3976.462392 4050.488622 5266.019383 2743.465761 1530.781036 1554.545497 12258.56645 13895.64905 4180.74593 12244.82982 6870.917102 4596.428209 9083.869398 21048.76061 6390.718416 2506.545579 2376.400086 2541.42076 2581.517941 4829.574857 2389.244951 5051.321957 827.1957653 647.9211354 5608.370687 8430.097384 7378.303057 9303.499309 4585.261042 9767.550688 6070.065084 4760.491561 5994.499013 Lucidumol A 843.8052191 4.07813e-08 1021.723728 12472.33565 1714.468466 4848.854477 4302.275201 372.5513858 1371.45754 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 249.6504779 4.07813e-08 3464.12584 3316.081239 1604.27076 11495.89093 4899.020036 7410.826135 4518.455158 2565.750591 7656.815796 4.07813e-08 4.07813e-08 149.464689 4.07813e-08 4.07813e-08 596.7244963 4.07813e-08 4.07813e-08 4.07813e-08 2175.10346 1433.580804 897.6814673 8985.441242 10159.36645 3235.806753 5257.324651 1683.268638 4735.001622 2160.572087 1990.753215 1490.245008 1216.173116 1260.107444 4.07813e-08 1589.269391 4.07813e-08 2316.830692 3,4-Dimethyl-5-propyl-2-furanheptanoic acid 1770.189351 2048.512386 1717.180699 1648.928868 1834.419089 1527.684175 1695.998465 1327.557398 2072.209235 1336.990092 960.5207555 989.4049251 1053.786138 1204.149694 923.0925362 1724.386856 1306.670762 1144.040844 1169.814893 1204.633487 1310.305758 1353.31653 1230.165496 1222.55929 1517.479902 1622.129768 1430.947377 1060.518865 1270.285693 1164.542655 1130.114416 1028.764317 1299.885419 1079.875594 1403.108854 1528.312005 1372.216336 1256.628443 1458.476281 987.8754248 1355.771173 1496.872623 1299.670119 1805.563445 1497.373112 1652.487391 1084.100155 1286.340763 1527.521546 1299.839275 1025.722859 1282.714237 1306.940426 1620.195718 p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic acid 4842.785892 10236.65651 4.07813e-08 9551.492717 5072.341906 5635.247309 11088.56664 13733.41912 20551.33763 4.07813e-08 4.07813e-08 5806.941825 1140.546251 833.4160428 2249.015353 4.07813e-08 3485.089901 1991.418273 8940.482469 4456.969524 9403.320872 8108.132893 4575.61189 12876.90257 1566.131534 2657.16567 9811.228766 5131.171544 2050.228326 2982.757917 6570.333862 4.07813e-08 6396.416993 4.07813e-08 7293.96089 1966.656009 7214.124935 2617.720635 2957.607446 5329.971505 1575.232811 5270.855085 8970.778055 9478.897149 1339.604562 21215.27746 11487.34767 13002.9193 14275.07666 10810.80394 4.07813e-08 18630.36392 1241.779924 4077.831521 L-Cystine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 340.0190751 6386.659877 9202.047303 3556.398486 6722.522925 4882.506263 4221.160159 4070.442484 2562.887119 14523.28516 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9961.246502 8736.10834 30511.72302 9281.385504 31954.2343 7521.786307 3862.742706 2046.780941 11337.53408 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 414.7747747 4.07813e-08 4.07813e-08 4.07813e-08 8899.578868 305.9533555 46308.22835 4.07813e-08 Fortimicin AO 5717.015455 1935.896205 5532.804805 4026.970832 4505.655028 2342.938005 2911.27404 6589.870673 8431.416588 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1665.71495 1558.349552 4.07813e-08 4.07813e-08 4.07813e-08 7526.260766 3913.466052 9539.550944 6732.676601 12104.83368 5951.894331 7231.351575 8403.530323 7107.981827 930.3905087 1267.56887 567.1536235 4.07813e-08 711.0249734 4.07813e-08 798.5798838 4.07813e-08 4.07813e-08 3159.054948 10150.92141 6038.331008 8940.053389 7335.7858 3765.643546 8270.781482 8265.315481 7777.524958 2216.60219 3880.811427 6385.042296 4951.288039 3873.633481 1148.218419 5703.385458 4.07813e-08 7372.813863 Dibenzo[b,e]thiepin, 1-propanamine deriv 918.0755381 1084.648909 2948.951605 2022.437977 369.8630603 3347.740222 805.1871921 4.07813e-08 1075.784076 170253.6892 186467.678 110291.5658 184024.5622 117349.3883 111695.7985 113486.7047 112846.9036 182215.4254 2608.788679 2111.054067 2050.651068 810.745058 930.0861167 1220.316572 2319.959272 166.6329955 2475.782531 125261.6617 145409.629 237956.9701 89360.1843 213102.2666 119065.3065 119211.2407 54586.60267 196202.0785 111.2102168 2186.276558 517.5103121 486.4152505 2100.074472 3060.940919 1095.223907 1095.846876 475.5649333 1936.153347 792.0745295 3037.041011 1387.778884 6180.681259 173011.9635 2570.058717 229049.743 2047.110936 Isoniazid alpha-ketoglutaric acid 15680.42043 6411.369801 14160.98582 12314.78925 14285.85927 14976.89347 10487.39134 12573.4773 10915.64863 3827.023381 3243.186194 3278.737377 4876.981872 3766.927158 4562.329427 2448.703184 2705.984034 3114.955014 20256.96863 20645.38813 16441.58076 10485.46699 23168.53106 15508.38688 12285.98338 13511.60615 20400.11671 2895.160556 4141.85145 3263.866785 996.1179171 2719.153299 5060.490405 3967.822717 1565.860633 2516.778348 8616.437804 16878.949 11177.07072 19846.00285 12181.40449 12817.72988 14068.37532 14569.22734 11123.08303 14564.32431 11251.41762 11891.6408 13921.12609 13195.82912 4932.202727 19160.19008 3054.257957 16724.9405 N-Acetyl-6-O-L-fucosyl-D-glucosamine 9153.113098 15917.50801 5232.42797 11507.88495 10179.89938 6463.535479 14719.18963 8968.979856 9794.801163 17300.09255 13312.12863 6086.586635 11963.03983 10795.90488 5067.668154 8675.723593 7527.401246 12905.71239 6300.411818 3207.869758 2872.045563 2986.173445 6143.048159 8730.485228 8630.740822 5121.672942 5320.474958 11197.72215 11690.19021 13975.03627 5829.444475 14581.91211 7953.089344 13196.89923 4152.197579 9433.457556 7124.931801 7782.091824 2643.763508 10728.6281 4295.830853 2395.366286 4827.832398 3655.51417 4777.936693 5227.939336 6170.833818 6236.279471 10182.71581 10644.45035 9459.13293 8800.045534 14404.48164 11667.98181 Tranexamic Acid 102548.72 121807.5398 87268.2279 91577.19204 75330.51054 55617.27136 67686.27224 84742.76837 61291.91637 103519.8433 90058.7095 22357.94969 114824.1349 18198.52795 33538.64976 15125.0294 29214.12827 45608.36065 101665.1105 82632.39174 100630.746 90571.86118 81430.21572 84327.60711 110974.7477 170228.5709 106474.8814 101535.0675 137109.7275 32920.26535 122031.4159 74801.74403 47967.18885 237460.0832 51586.2568 41908.24806 181080.7668 111555.6337 175466.3305 91917.77783 84253.43787 91819.32154 87860.55392 201818.6527 92209.55098 112549.0545 77628.80951 73914.43463 137688.1475 143948.6916 66234.24952 81592.0438 123509.1128 92070.20642 Pseudoconhydrine 39079.69157 37987.75108 15679.56715 34166.77213 14061.91627 22098.85807 30829.91069 45318.14936 59832.31435 2541.835663 1986.858131 3181.484121 2219.779892 3750.30135 2453.605162 2614.129149 2240.401623 2269.830903 8480.48591 7146.575085 18843.20637 4792.786656 5605.080075 8205.74717 9549.461426 5866.454398 7683.248702 2152.65438 2093.378216 2789.444559 2962.189898 4386.411136 1640.560104 2538.759408 2723.964647 2923.017484 6570.804206 10371.11799 16073.317 11602.42712 6187.726839 4761.987757 4774.076162 7406.46606 8894.87556 4256.444174 20330.85509 15454.32023 29521.76882 33150.92223 1263.546233 21541.18888 2983.845432 11029.0901 Benzothiazole 8618.073101 7920.474147 8248.123194 8393.348693 9175.979382 7326.700333 7786.184594 6885.812277 8249.632461 4618.337321 5233.510919 4087.986869 4372.164063 6207.774768 4602.601065 5906.991692 4413.469352 5359.85792 5765.220102 5466.358056 6038.200654 5868.021761 5735.590955 6002.514108 6267.149227 6600.275461 5740.541594 3420.093196 4810.484082 6056.621523 5589.870895 4527.912977 3371.183288 4331.402598 4714.435139 5159.511849 7504.778023 6259.193207 5783.509727 5260.968991 4537.820034 4877.215243 5878.817231 6701.835065 6000.881059 6831.159849 7120.758628 5733.525298 6046.865834 5347.088811 4005.792323 5585.625232 5812.230865 7476.999048 thio-Miltefosine 2213.729382 3770.873232 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2122.042509 4492.980889 6215.029453 3851.357806 7336.115941 8675.774591 9832.424898 2418.720851 2355.003949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9657.068234 4.07813e-08 4.07813e-08 1382.621927 4.07813e-08 2703.494419 4.07813e-08 791.9156368 2096.67355 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1465.809188 1143.173539 2148.955463 35597.14207 581.3119469 2463.395555 9708.74741 4.07813e-08 8-Oxodeoxycoformycin 15397.31183 19367.78885 18140.0887 18737.12054 21336.12605 12125.23405 12784.14476 17109.32888 17535.46377 8505.423221 3081.303125 7645.168621 8073.643192 1445.196324 1338.534958 957.9376707 1880.611502 998.0944073 46396.48411 61881.02505 31735.25589 29005.50087 46749.93589 40369.78261 49104.73322 35445.10474 38340.79945 10473.89757 2622.114306 4609.2262 2704.427872 1523.612807 1270.715901 16894.44177 6357.104325 6148.930902 39488.10085 28526.79688 14488.78033 50878.54942 18997.76158 44456.49237 38017.29182 38519.32188 29132.86331 36868.49457 36766.23706 33189.34254 26436.96125 25337.50782 2154.147658 22244.04272 17901.06706 22682.94379 (-)-Warfarin 1409.239369 1317.039194 1862.436111 1217.667723 1398.134964 1328.098086 1107.270645 1280.174685 610.3686524 700.4752299 973.7137787 1151.829836 1227.355484 1126.89936 667.4504709 835.535027 669.2686409 518.5915012 3222.573076 4964.062478 2150.38652 2997.309241 5260.681655 2326.049076 1497.438118 3084.971708 4497.376608 298.6873932 1185.238699 1553.291195 166.9302905 2314.313005 1095.514652 1483.449499 98.85763744 1014.078395 2378.669607 2761.719846 2312.877491 2151.323636 2636.942049 4462.543258 2674.019721 3086.620872 4920.077116 1528.082722 1205.908226 1394.978564 1049.988973 1008.076709 1566.323553 1228.446438 694.5108652 1889.365496 8-Methylthiooctanaldoxime 8111.049624 7497.936596 4482.419596 7213.640103 4544.796108 4630.136653 8430.484084 10071.91453 12620.48715 231.335189 295.2783583 205.9969599 366.7233708 4.07813e-08 536.6454027 517.0940721 137.7855457 138.7774095 842.8264568 1100.643689 1850.806401 930.74076 1170.798647 1236.340831 1326.935593 330.0909017 545.4803256 391.2084206 211.6053831 54.34008856 385.9282485 4.07813e-08 272.4842138 653.1653172 589.6149864 138.0625583 2174.6622 2186.485684 2685.595322 3356.273992 1319.010075 1225.312289 1745.533103 354.790947 242.9256247 1057.168736 3400.32553 2083.267986 3960.392159 5293.907641 102.1012681 2678.430935 238.9153255 1690.533849 Sambubiose 472.1717577 3801.764104 2368.945108 4808.449953 2045.647963 1489.028585 1518.668112 4.07813e-08 619.9431448 2818.880211 2935.2795 1682.316632 2551.851541 1154.112097 1289.923922 817.5430959 980.9559496 1767.394814 862.3109728 1846.328143 969.2046693 1012.235223 890.6406577 1561.02029 543.7620923 946.6205063 1670.393918 1708.433914 1801.153636 2178.792138 1987.856794 4360.009599 2292.071564 2362.070703 657.3504745 2669.629881 1323.086987 1336.194045 1654.31092 1941.186647 1182.633201 1956.313803 2426.436131 1414.572005 1357.79558 1725.89722 979.6098483 1727.073731 587.0786562 757.154244 3324.64838 1881.478414 2824.269375 1375.552401 R-3-(Methylthio)-1-hexanol 830.2284463 616.8433697 830.6731337 479.7157423 180.1940649 570.5499891 387.4928358 517.4730362 528.7013496 217.0345033 197.8167526 334.8901386 154.5124333 338.6690685 342.3743453 414.9987841 314.6832087 503.6495404 701.1718956 311.5438199 478.3686347 697.4038682 181.9122059 248.4842207 386.782025 928.7220366 719.64188 394.3299098 583.1612068 434.6211794 336.5577654 363.6025012 290.9146215 269.8265119 471.7691789 463.7391439 766.9121821 762.5205694 514.983202 681.6091747 791.1201993 618.1261191 527.8854241 753.312643 801.3342237 469.5394378 233.0647192 736.7052547 973.1659577 870.7143351 386.0764434 738.3959782 304.5054835 556.0024273 2-Aminobenzamide 626.5001799 340.3477233 619.3329376 86.96341816 4.07813e-08 332.0457162 174.9625993 577.5133545 806.7537091 128.1559676 200.1577028 49.92135654 272.2348946 33.44176288 79.56249027 35.04020545 42.17086909 314.3832056 740.5322016 460.1104395 1115.530679 601.994587 206.5368424 663.9286091 558.6216593 579.7700383 564.0361717 189.0931639 213.687426 57.32524829 183.8423477 685.5398327 173.6301559 196.4824978 58.60336372 269.2137764 952.424193 664.0100467 952.2538054 463.3216016 607.1892884 410.2953119 639.338192 998.773691 3300.475341 701.5529014 233.3570962 348.4885464 538.6933935 450.4573429 449.1602056 415.7855146 227.7629218 515.8106493 Cyanidin 3-(6''-acetyl-galactoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20098.13759 19031.98942 10901.69898 22460.86572 6849.933868 7801.010172 6869.407723 2978.140067 15772.45178 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15406.82103 13038.3815 15990.79729 4279.011677 13317.27863 6810.246319 9680.953042 1719.170235 11814.37599 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12693.35878 4.07813e-08 19741.56814 4.07813e-08 5-Butyl-2-furanoctanoic acid 2579.436733 2015.121073 3129.237273 3191.979863 3002.948862 3852.753469 3036.309492 2363.630385 3130.930289 544.1700002 524.9617209 436.3216807 145.5617041 391.506086 396.9305494 827.8906584 330.1514551 509.4564143 2635.988213 4781.863576 3153.769704 3248.665255 4837.584513 6053.341905 3097.65661 2724.423656 1560.740674 285.4985134 675.494617 754.2071141 662.023793 342.1135195 399.1266861 640.3120087 554.7700412 571.1228029 3260.654275 2715.832868 3289.695619 4029.928153 4207.333913 3010.23729 5970.757676 1128.882015 1355.339077 5687.010683 4363.939994 7258.766995 3008.231982 835.8882062 1335.466067 3658.022838 925.2243698 3656.376604 Falcarindione 463.5857688 927.5148172 1723.45935 1210.145858 1564.231704 2786.853563 1212.484712 743.1526533 2263.6309 304.6319037 276.4431133 339.2118619 358.6464771 438.6126069 250.8949162 442.7158471 390.134564 376.094056 1233.838851 2893.671025 1486.325725 934.1738053 1556.373112 1727.772883 1086.421069 1199.049975 899.4588751 330.4412722 401.5461318 360.0154377 351.8816507 259.5300554 394.597747 347.7244328 362.1337558 472.9139862 959.1468108 1620.284591 918.5164433 653.6025954 1185.043579 739.4134226 1135.205114 1383.65195 539.4571498 3558.803008 3340.336852 2696.118684 915.7597266 527.1489594 372.6524743 1057.207339 465.7412738 1755.858375 21-Benzoyl-Barringtogenol C 4.07813e-08 1645.617243 4.07813e-08 1589.113389 1641.061502 4.07813e-08 1155.340147 3424.424352 929.2023082 1158.013195 5207.502274 8862.914317 1026.656393 13050.67356 10141.86361 10543.8761 30258.63772 22313.73431 4.07813e-08 981.2893164 321.0076664 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4556.281017 4728.484711 11120.90433 4955.750937 11556.1329 943.3310585 6409.588331 9049.080257 16222.33751 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1880.89212 4.07813e-08 737.663664 827.2476889 4378.052952 403.5828755 3710.058582 265.6588188 1b,3a,7a-Trihydroxy-5b-cholanoic acid 2100.912309 3608.235739 7793.768112 6501.707529 15657.79365 8045.8936 9556.694969 8152.189271 11414.66782 9.370615124 99.49332749 210.1354391 41.51771862 324.1659124 28.24270669 4.07813e-08 4.07813e-08 0.792719412 5495.149855 5420.328229 6511.18822 3882.143375 5843.817354 4566.310948 6169.123721 6335.398853 5295.77579 6.811455036 4.07813e-08 124.0543846 4.516576918 249.694697 4.07813e-08 4.07813e-08 79.77226756 44.41124067 4447.213292 3162.874265 5050.641755 6996.288213 5222.38962 6385.878181 4462.733284 6354.635024 3053.515368 22443.88884 9802.218343 8698.517015 6157.076811 3702.423005 91.43472305 8417.692293 46.02529554 10776.98232 13-F4-NeuroP 1706.784637 765.9782469 2841.937925 2774.13635 2986.581357 7929.584229 5134.386257 4641.920842 1551.750106 88.32875858 4.07813e-08 73.53288432 4.07813e-08 4.07813e-08 174.8418749 4.07813e-08 131.7860574 4.07813e-08 10437.23004 8709.950954 9074.116221 8199.55643 8316.666108 11513.83944 7799.445215 11476.954 6749.911381 4.07813e-08 4.07813e-08 4.07813e-08 108.2922161 90.87968959 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4676.02352 4743.643102 6238.996756 8795.595504 7735.725577 6553.144992 8992.317552 9374.367858 7347.026307 10617.4174 7250.78842 7548.304577 5098.688391 2429.249523 198.8363495 6479.328194 4.07813e-08 6713.284528 PG(15:0/0:0) 1099.152379 1294.970439 1818.676962 2170.706323 2132.854374 1410.751828 2831.75715 1531.689529 1101.644195 175.0650555 1192.362946 1858.306562 1899.620507 2361.936158 1016.213402 928.3041954 493.0029777 1118.161416 1167.73714 974.7454084 1415.726542 1001.056796 2439.044584 2920.717041 1578.612993 1337.696383 1467.024181 1023.493879 1127.754408 1379.019862 3128.809142 2117.499901 2250.953614 1080.219307 7701.752456 1979.386118 2348.916867 1755.898698 2167.433155 1592.732819 1368.601198 430.7190951 977.1707435 1628.827861 914.0418914 1462.597658 2871.492881 2881.370113 1406.114125 1081.139534 1281.659299 1928.340395 1847.964819 2394.844924 Didesmethylimipramine 596.5906445 237.1026985 213.9804744 4.07813e-08 4.07813e-08 2236.364346 2266.111552 4.07813e-08 4.07813e-08 166.0443121 4.07813e-08 4.07813e-08 91.40516692 4.07813e-08 4.07813e-08 1806.120036 4.07813e-08 4.07813e-08 656.5849926 1523.23872 1986.051459 5117.10624 2846.596123 3344.276231 252.572719 7397.644004 3636.84172 4.07813e-08 4.07813e-08 4.07813e-08 131.3071013 887.9936551 390.095012 4.07813e-08 4.07813e-08 4.07813e-08 10864.00004 4028.361215 2865.408536 2381.296555 5395.98758 1074.163707 3307.750001 5300.673852 3978.636479 204.007979 596.2899867 2146.971477 1484.965596 858.8892262 741.8383904 4.07813e-08 127.6974821 535.1922055 24-Epibrassinolide 248.2393661 4.07813e-08 869.7646992 4.07813e-08 552.8210683 775.3273441 1459.85601 548.8137994 265.0535233 1006.293513 994.3992207 1186.48869 501.9701734 2434.751658 2173.516557 454.9710974 11044.15557 2983.944167 361.0425878 1019.842597 492.5672178 172.9643305 136.7540875 481.3783276 189.820067 4.07813e-08 4.07813e-08 1618.269403 4.07813e-08 4.07813e-08 4.07813e-08 170.950487 4.07813e-08 213.5249109 1971.739275 98.58819591 324.9209081 4.07813e-08 329.7143659 652.407969 231.3902647 727.3611683 189.5022946 4.07813e-08 4.07813e-08 1229.150729 1528.829976 853.0237249 4.07813e-08 4.07813e-08 4.07813e-08 384.7643633 4.07813e-08 4.07813e-08 2-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)benzene-1,3,5-triol 11678.96799 3516.577032 3967.304012 7700.455263 2166.2698 13827.68338 10445.60682 8286.647801 9973.226395 4.07813e-08 4.07813e-08 100.2350899 104.2015336 158.1546555 51.23858579 4.07813e-08 52.84199357 130.4258742 2642.840922 6688.184574 3743.668394 11571.24815 7501.730576 18912.41914 3621.393904 6488.540404 3812.70615 43.18288318 63.72006007 195.1096093 116.6636897 138.5550168 157.2182674 49.71035331 253.131996 228.493623 10887.68951 6000.742925 4143.338636 5380.563333 11988.13425 3165.1822 12802.09809 5404.347453 3460.365196 2538.587108 3233.106734 9572.321052 4163.727932 4619.356482 138.9266477 7953.744159 163.4010773 7578.826741 Carbestrol 8725.501545 20415.63255 33778.0545 30057.25593 27949.32678 39720.63771 34388.38514 31043.94097 32096.37252 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 133.449734 4.07813e-08 30016.24907 29105.39742 26255.08664 23409.88534 21634.50813 26701.21527 21914.61788 21146.89333 10331.38685 4.07813e-08 4.07813e-08 4.07813e-08 129.5922587 4.07813e-08 70.69773177 118.6978473 4.07813e-08 80.37932932 30599.00288 15424.42193 27516.75446 19909.87246 22990.90274 16439.5248 19350.57491 20377.9611 7790.638376 50071.52545 43668.74823 37732.59168 25925.21631 16990.81032 3121.871724 39612.4469 803.6990802 33705.40716 R-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one 3453.627402 2910.157391 3466.603619 3580.11034 4020.707185 4596.352962 5121.852668 2873.753534 3139.556675 2985.22256 8197.023949 3916.769537 2893.788747 6083.408291 3186.248806 5296.926027 3077.627341 5882.899294 2987.109116 3005.594285 2596.371595 2944.727713 3155.551516 3397.291341 2139.764412 3080.33892 2510.485319 2343.058844 4552.965335 6415.562121 5134.528573 5249.521572 3438.421879 3243.853666 4479.20207 4282.99599 4235.955906 3993.493636 4037.408305 3706.050597 2964.163029 3142.118597 2938.241051 3375.959681 3665.880231 4668.763224 4207.264423 3873.746027 3318.75781 2422.991448 2703.833394 3245.592574 6557.01334 4083.37077 23S,25,26-Trihydroxyvitamin D3 4.07813e-08 4.07813e-08 4.07813e-08 6544.436565 4.07813e-08 151.6050348 542.486735 4.07813e-08 290.4740825 172.0022595 191.1156552 134.6205847 4.07813e-08 600.9360335 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4124.530068 4167.083685 4.07813e-08 6935.435278 848.2470503 6638.66897 754.6711296 4.07813e-08 615.3258991 4.07813e-08 4.07813e-08 173.6268961 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 490.2415604 4.07813e-08 310.3030414 6137.191361 4.07813e-08 1913.12263 4.07813e-08 4.07813e-08 1917.692047 5038.149616 1943.613606 4.07813e-08 4.07813e-08 4.07813e-08 805.5656093 220.2139896 4.07813e-08 Behenoylglycine 4748.705868 6587.6888 5982.873582 5011.948843 6234.969401 4301.045634 5026.681697 3360.636762 4440.648279 5421.431221 4972.337943 4298.410606 4977.981094 5171.375605 3793.804809 5391.635084 5441.52015 5508.398897 3810.065821 4190.894781 3563.111149 3619.190229 3399.182195 3775.817827 2828.152899 5379.632103 3600.135795 3275.119489 4375.094503 4769.473133 5226.564271 3971.395801 3873.717651 2798.743867 5617.74418 5371.007382 3578.234388 4221.162061 3272.915664 3485.676489 2578.990382 3060.519049 3707.670107 4479.653751 4171.26081 4893.172933 5225.327677 4757.055642 3582.304759 2371.925824 2789.721322 4862.879894 5584.088266 4535.457636 28-Methyl-27-nonacosenoic acid 9124.330022 8466.919405 11499.10754 9423.924539 8415.890691 7402.110005 9218.702617 7149.239213 8324.616312 5970.86287 5920.006349 5980.958823 7277.435316 6347.186668 5575.663509 7608.804105 6136.268547 5946.854227 4931.123197 5947.844054 6815.713588 6892.431148 4721.71325 8124.160136 4995.744898 6144.496231 7447.584842 5522.791387 6382.039387 9000.245644 7500.69809 6598.427245 5686.122653 5881.714586 6941.018458 8504.478062 7332.450058 6287.282285 6017.081606 5270.792938 4361.339135 5892.368902 5525.966126 7095.895972 6235.671631 7546.362454 6150.769738 7838.08323 6275.695767 5512.489235 5624.027416 6924.19941 5223.704601 9725.204409 LysoPE(0:0/22:0) 13908.0005 10600.58695 9823.694344 17122.24891 18287.6021 14509.14724 14875.13678 4448.545618 8056.412844 10057.47252 9172.917873 11316.3176 11056.03644 14736.15733 10544.31267 7057.834544 8314.89927 9186.021627 10020.0099 11587.72061 12387.68031 11537.57535 11152.24142 11658.97898 10597.8701 11938.95044 13979.06751 12126.11176 9776.240821 12680.77625 13239.80759 13759.01078 10088.34072 9051.706211 12368.28237 10795.89402 19049.64954 11991.21336 13200.13142 9278.869481 8719.908366 11888.70488 10070.76668 9818.265128 10123.64713 12453.36727 14680.80333 15801.7249 7167.030231 11424.48997 7354.66006 10093.93935 14786.44841 11356.6199 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin 9434.08526 7149.46305 4892.925214 5928.670642 3909.650311 5239.446996 6210.793913 6797.994408 6337.361037 3306.115932 6496.348626 7625.938109 2809.125727 5373.979272 4445.730118 5831.961666 4063.715066 4744.784653 2104.680044 2821.81654 4205.271125 1385.708652 1608.321002 2243.776565 3204.649283 2699.109539 2768.345332 9208.661539 5074.365843 5753.477979 9968.578585 4386.478022 5896.993457 3911.197002 5927.024339 5786.091039 6661.651942 1813.615756 2850.994573 3149.505161 2034.130633 1892.23636 2906.043531 3321.714647 1582.840559 4375.055794 5806.176938 4819.450171 4500.34733 4877.063239 2933.971204 5284.479078 7259.529379 4959.38004 8Z-heptadecenoic acid 2306.924793 2006.683641 2321.053185 2611.931918 2765.998428 1125.228112 1324.079993 2633.691192 2043.391709 1436.182421 1286.683865 1503.15738 857.4674265 1232.599845 1393.744039 1988.601352 1428.470315 1676.285676 1289.945442 1692.501307 1359.803661 1047.287476 1300.582886 1672.930228 1503.721943 2207.956017 1317.658137 858.1718761 1476.453129 1482.379454 1257.656853 1213.347066 1348.249755 1545.529929 1733.848455 1147.218621 1579.052725 1378.662578 1361.361544 1287.542794 1784.353357 1956.920414 1371.710116 1918.065056 1513.050097 2337.002256 2182.660682 1605.490281 1670.746562 1767.029934 1461.327066 1597.89251 898.1568636 1864.243369 (E,E)-N-4-Methoxystyrylcinnamide 8375.697585 8560.675867 5270.082076 1959.688663 2531.574828 5732.054526 4149.851401 9676.184967 9062.315597 5638.985216 4537.894931 1209.863112 5729.754726 1149.806323 1214.362598 14.57374331 1862.770123 5398.610569 2364.555852 1720.902034 1595.122685 2762.364674 2388.460821 2066.423941 1647.618137 2091.312568 2132.179936 236.550463 944.2545587 1651.876413 671.6228651 1517.887187 920.9639059 3633.218204 170.8910952 927.5429237 2007.440635 3305.499146 1882.956488 1671.084846 1542.645598 2404.275849 1728.79204 1376.922563 3784.698386 1640.311747 1726.777971 1919.734753 1801.86405 1236.72764 1462.785225 1487.267539 1504.447854 1322.808299 Intermedine 431.2253269 1777.407611 278.5572328 985.942843 795.4804584 123.6666333 4.07813e-08 4.07813e-08 4.07813e-08 991.7929146 1347.115719 663.6447469 1184.152803 1092.741975 2361.68007 526.0084906 591.8784821 115.0756337 1950.896061 108.1174904 3194.090801 709.3443183 4.07813e-08 4.07813e-08 4.07813e-08 515.5791601 102.3746952 730.0130698 549.5198671 1164.4626 608.0459929 1606.249178 2044.300753 1065.823961 203.152042 739.0673583 1401.226549 717.4083389 2288.887136 952.3867845 216.7163924 576.2681021 4.07813e-08 664.4117117 536.2570398 4.07813e-08 4.07813e-08 1332.186613 1071.55471 1457.227269 1377.272833 1334.331698 345.0050453 4.07813e-08 S-(3-Methyl-2-butenyl) 2-methylpropanethioate 11903.62085 12917.23417 4538.309437 6910.387339 3764.874522 3864.53892 12194.3895 17276.21803 22565.56702 3299.721043 4072.70918 6556.54562 3001.805388 1715.940515 6910.068654 4667.597379 4475.74849 4459.264238 836.8511058 1213.032735 1794.799557 274.462137 169.8091254 890.4332433 1331.383337 949.4330163 597.3102986 8817.269727 4802.655896 2074.037239 6988.649318 2288.01069 3357.818833 5089.417778 9747.174539 3278.170364 3146.428773 2474.983083 2441.222213 1522.363127 1009.757204 390.3077242 964.6130675 1408.859001 638.860821 1308.002504 5990.757655 2885.056513 5770.667927 6779.846081 2590.715336 4415.167147 2990.345129 3456.161651 Benthiavalicarb isopropyl 3300.721813 4492.310771 2053.183189 4914.074701 3169.760849 4303.495117 4922.16756 6445.564588 19910.16172 244.8330844 293.4300485 183.2369292 248.4713486 92.40046766 913.3685548 126.2076001 5.921086736 88.73432005 791.2199377 768.0890869 2605.245705 377.4304385 750.2954077 1048.682407 533.2414881 308.7229796 689.9539129 1082.834091 129.6299819 88.21655779 214.9205316 4.07813e-08 91.72324491 882.6530288 261.2333083 4.07813e-08 1667.918909 1765.111948 2668.432568 1147.387767 1041.68781 1132.517712 412.8427442 393.8345675 386.7347886 629.7126634 4447.023491 4260.270478 4449.469764 9137.089075 188.3037661 3571.799896 15.92126888 2033.491451 EPTC 18561.58353 21996.27878 8158.651766 12494.63443 6480.681293 7346.138917 19688.71477 26764.79042 35368.43383 9568.382585 12715.36086 11797.60879 9183.287069 5138.824256 13241.24304 11076.84481 8792.438579 5026.270319 2138.453591 2104.458459 3941.94973 1316.308575 751.695751 1776.934636 3148.11783 3200.226343 1864.379971 15598.83314 6792.152601 3820.03144 10085.3492 3940.339257 7653.277771 10411.09357 20016.52049 7722.743435 8041.22719 4952.929913 4596.201482 3400.959412 2005.240073 1180.989523 1955.283869 3638.73822 1328.495663 2589.784824 10194.78101 5513.03899 9554.586615 14464.42357 4874.496638 7392.597739 9656.494406 6231.710979 Cytotrienin A 4.07813e-08 4919.487931 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 490.0399294 4.07813e-08 0.028090822 40696.37681 32787.19921 7624.088923 36455.30536 5222.649578 25383.77529 1087.007515 1646.655443 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7297.687647 13945.12049 10920.73361 11847.31143 19109.71895 13742.43776 22653.74139 4.07813e-08 3588.419981 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20847.08164 4.07813e-08 8877.506908 4.07813e-08 2-O-Acetylarbutin 4.07813e-08 4.07813e-08 19.52883483 210.0688868 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1998.261537 2286.559507 4261.129677 1685.424002 4507.079102 1674.569073 2226.596614 835.8764987 29.88662461 45.6986971 4.07813e-08 23.73417508 4.07813e-08 82.40581389 4.07813e-08 4.07813e-08 4.07813e-08 10.0497184 2098.340093 2765.260625 3659.26379 1499.507814 2271.67808 3885.3758 2474.315726 1926.610662 5159.877239 4.07813e-08 22.36946867 48.38557853 4.07813e-08 87.94894092 215.6050393 4.07813e-08 167.8660647 4.07813e-08 83.91923819 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3972.907902 4.07813e-08 4005.902239 218.4459842 5-O-Caffeoylshikimic acid 4.07813e-08 334.3085943 141.8490597 4.07813e-08 4.07813e-08 103.9667884 156.1290163 4.07813e-08 4.07813e-08 1859.520822 515.3426794 1897.613323 1698.72147 2857.079919 3390.918639 881.8481143 1951.448576 1051.723386 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.153850154 4.07813e-08 4.07813e-08 4.07813e-08 269.2966977 5252.906065 2777.334216 3272.4699 3303.561782 5368.317514 4244.040302 3958.823196 3465.296906 2160.822778 1011.198672 4.07813e-08 104.8004178 118.4076406 4.07813e-08 226.632197 4.07813e-08 136.0276396 143.1865035 4.07813e-08 4.07813e-08 4.07813e-08 217.1782435 348.4115783 6872.85979 4.07813e-08 245.3952819 626.1691082 VINCAMINE 878.6542902 1506.862406 407.2508461 1168.251732 323.530084 1332.157074 704.1420227 1619.396483 1999.625476 12363.17028 12398.24523 15249.73798 9135.423853 9530.068178 38546.24671 20719.39761 15389.10466 8832.582546 316.221665 667.9692087 968.4005326 301.9389322 519.0175557 494.4019708 690.3105 529.1875529 157.9616653 8004.86908 12966.42543 7638.220046 13416.80288 8969.158588 11333.56715 14654.23277 12398.53459 6636.106104 0.006182215 1012.62349 1078.710298 714.2653522 125.5302319 147.7865651 458.3304577 104.6664125 587.2492762 296.0582606 1182.571324 680.3483856 1528.966412 3018.585104 11338.50921 559.598944 4675.624383 619.6501002 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone 721.8585276 2994.518298 545.3173214 1269.867327 46.76815019 73.14234736 1332.96433 2086.809073 5304.486357 620.1594002 790.9872959 1350.362293 2014.0287 1911.869498 513.8617046 2105.784674 459.9402421 2487.373866 1180.799155 722.4024528 454.048149 237.732567 448.9362913 1260.678757 507.6673274 994.6351492 1223.812674 7831.895664 6352.322242 6694.749805 15654.32732 9480.610174 7907.132804 5924.8707 1354.85493 2144.078865 652.3393955 494.579796 1010.756019 663.9450095 867.9667339 642.6167167 591.8295118999999 692.8083428 332.9703869 67.03599343 2653.531588 1505.066193 3432.333074 27938.9704 6936.977007 551.2443659 7236.501621 1322.933571 Carapanaubine 4.07813e-08 2309.33577 270.1762303 4.07813e-08 188.1853207 4.07813e-08 797.8528286 4.07813e-08 195.4118668 19896.19567 19552.51262 15062.60398 24771.00096 12098.17906 12592.31869 10211.45552 9943.54733 11876.44034 4.07813e-08 529.2066571 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 92.44472817 152.8417366 8.383668222 13582.23605 18581.09378 13879.59925 15963.51381 13610.63206 11894.94318 13852.11967 9254.716037 11474.74617 381.8498799 4.07813e-08 336.3027565 4.07813e-08 4.07813e-08 4.496005231 4.07813e-08 4.07813e-08 4.07813e-08 9.303245178 561.5131532 4.07813e-08 4.07813e-08 1405.480283 16766.66933 4.07813e-08 14390.73502 4.07813e-08 Thiothixene 13281.65221 19918.60591 31840.31356 12820.26045 15073.37142 21622.80218 16393.69286 18275.62167 19468.69209 807.8447198 257.6562705 471.9990264 987.6491558 649.200904 274.5404427 138.4796159 3180.372658 508.485002 7382.633786 4824.791538 9180.629995 5678.521886 11606.39062 5723.517715 7508.902643 1915.165269 11495.85727 142.2777665 45.40197282 229.0105629 86.78340162 126.5191008 349.2552118 82.05348416 1432.966473 18.48708338 4690.211865 16414.77398 25143.71099 19110.49097 6813.046259 11615.16571 8328.725052 3497.472755 3487.75839 16045.17273 18026.87311 16478.59924 13000.3734 10199.63653 121.1530159 14516.0437 1330.21421 7209.175269 Hydroxytetrabenazine 550.5163576 3084.110114 1443.539727 1936.321527 878.8625233 1941.14322 447.544409 3361.17908 3697.389515 2351.736986 2178.285851 2039.262358 1860.960042 3072.556875 1852.31131 1148.28127 824.9360387 1332.291316 1406.051151 1.968176058 3438.990712 1138.114747 6.833347817 4.918684226 399.6112073 590.3582398 4.07813e-08 914.7238794 1246.102725 3833.517842 952.8812376 1711.60567 2887.287112 1533.277152 1086.664396 2327.770343 1042.161391 1113.671859 2623.15579 1536.896252 425.9352828 427.5567839 10.85521178 269.3707736 1154.132207 4.07813e-08 1125.800606 1365.56824 3818.403909 4220.441354 1846.906055 1637.473068 1325.62312 1345.025001 Arctiopicrin 10103.90061 44000.86339 863.2559125 11579.52546 1091.852348 12981.34374 6361.16824 5735.690845 13150.44795 6913.371696 6724.15974 6218.148051 14681.12908 11616.52549 3609.532106 1381.8056 1462.01985 866.9367534 2902.316895 811.482401 2468.111035 938.6987056 2288.475877 1587.539457 1470.447843 2229.173645 1485.092075 19742.78098 1357.988926 587.230355 1257.293123 1638.587254 3101.089932 2279.624106 3354.849508 1900.446837 1974.577306 1723.719119 2259.955165 2318.698398 2386.492241 2657.915343 1802.075268 2779.470094 2122.552848 3333.435174 65093.29652 21690.41631 70204.04418 211732.4967 5591.94199 16609.25647 66165.91136 50850.07259 N-(4-aminobutyl)-3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enimidic acid 14694.08319 13562.01094 11030.75012 11731.54512 10905.09355 9574.884656 15718.06938 19133.80321 15240.48747 8072.808711 8050.817378 5562.243497 7769.461603 6126.174496 7164.928937 3800.495818 8304.936772 5580.63487 24375.58716 21605.01454 13873.94384 17873.80535 21264.15603 25688.6081 21795.36858 26373.81802 21764.11487 6115.722204 7375.64802 6104.13345 4686.511331 11345.85837 7668.704385 6687.353452 5436.78062 5983.76185 19482.70004 15946.36713 12852.43063 15314.81331 19790.72857 22127.60104 24379.81992 23518.74015 23934.83216 13623.39516 15435.34129 12558.62584 13786.58293 17158.28946 8066.547623 11756.52111 5942.310648 16619.75403 {3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid 25807.37978 15205.611 23027.72246 22664.58502 21343.07249 19463.30138 18887.03403 16583.9394 15022.39984 1069.608204 634.868019 460.3071407 1281.836704 1499.103529 1272.719978 987.8648651 1252.68898 1605.35964 18355.47473 20713.11338 17686.55939 19271.83606 17244.57425 14400.4855 21482.84148 26549.62205 19167.7726 1113.891384 1751.841281 2177.477151 2431.636001 2250.967349 2092.766096 1198.782294 1416.677789 1102.616231 17392.84604 16776.69433 16293.88886 17404.00643 19151.43873 13585.25638 16534.66396 23494.2881 23679.55922 16309.66978 14443.92189 17364.65484 16465.93002 10607.31916 1221.353671 14017.53665 1096.905361 18813.87898 PC(8:0/0:0) 6055.865682 7446.814179 1971.303601 7197.19437 4371.903793 2767.983468 7576.36936 10866.19432 15147.42778 2329.816769 4418.284987 3351.423326 1946.208861 2455.375593 4377.314216 3088.250815 36088.95158 1938.239101 2596.047675 4.07813e-08 2588.214073 3845.168724 608.8156776 245.3768009 55.548857 1513.290044 4.07813e-08 3004.796431 3035.993139 1891.226901 2814.758498 3555.071612 2465.759344 3850.474504 35306.15609 2497.923669 1646.253836 1131.337908 2456.349594 1276.689968 2953.062887 1432.611967 802.8945374 2592.076867 1108.356666 324.1053367 2879.0659 2018.185353 3742.568095 4378.205055 2357.890568 2278.159608 1555.705944 1377.07079 (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside 3705.83012 1471.105889 992.636008 2374.837655 1465.679675 1979.898856 1883.32284 3846.775577 4660.973 14354.33734 9805.056976 8563.538447 11283.14033 14760.29634 15452.20507 15732.26843 22130.87972 14971.82795 1573.427082 3202.8999 2983.029265 1745.664682 1660.628346 2823.012216 1734.369157 1745.699591 2318.057385 14766.20631 17190.22412 13790.70603 18710.06941 14003.09673 14529.68734 9106.12888 14793.52948 23106.85209 1066.268523 1328.021362 1442.829323 2483.747357 1731.647936 1850.674194 2018.094209 2855.373643 4583.88651 2171.494151 1678.889412 2411.852122 1806.899472 3104.774279 11156.6245 2320.800658 13146.48044 2271.855803 Fluorofelbamate 1633.882661 426.9385998 292.5307952 45.11373287 844.7027835 1335.488855 669.0128756 568.6165911 761.9985085 1507.991288 1020.360231 883.196559 1460.856966 1049.560739 1320.314355 491.8797639 714.0044321 1974.875646 1431.068514 955.5194088 479.4307689 867.9447946 2610.406287 892.9743318 857.1427087 539.4867345 1848.484724 1108.236407 1070.406889 734.6112752 1104.886235 1902.258955 1437.775525 1729.150506 524.3091155 684.7806436 1580.180825 701.3907623 655.9534194 673.6975269 509.52089 2371.808512 437.7558967 1839.605105 1919.547327 1329.36719 867.8340142 397.2963494 824.7002265 591.4592161 1264.417397 592.6816409 1311.992699 686.6693844 Dihydrocorynantheine 5935.292245 9989.301727 5247.880601 7817.387746 4873.635535 6547.708142 7622.28262 12331.3442 17073.44815 17269.91534 18056.01469 12812.12969 15858.36595 16478.2488 20744.30427 20516.24009 22518.35922 13655.1067 2257.0201 2540.976879 5515.458444 1752.324221 5080.272293 4470.494017 1947.581116 2816.431002 3158.451584 15903.27366 17804.79785 16840.79468 20396.54813 20699.50783 19760.78804 21409.44102 17348.35039 15457.37983 2398.101006 3707.263825 5259.529439 3486.581743 2321.491133 3243.825686 3212.181266 3206.187215 3378.30455 2585.21488 5936.941321 4401.347211 8239.474101 10128.04078 13215.3606 4281.887254 19230.9548 2560.0923 CDP-DG(12:0/12:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10449.40512 22723.67896 15690.75427 11779.54568 31725.65514 5538.971207 27933.174 1780.402843 26701.48198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5994.139507 13440.71981 11762.48359 4660.722001 5159.914912 13852.97399 42450.26551 1184.547379 18126.34802 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2272.81439 311.4320745 2306.552871 4.07813e-08 1878.451197 4.07813e-08 Laurenobiolide 6629.869309 4363.245155 6809.127941 6467.451532 9732.241652 6653.747776 8467.507678 5560.374704 4036.592505 4.07813e-08 4.07813e-08 6.299156162 4.07813e-08 4.07813e-08 1.900883887 4.07813e-08 4.07813e-08 4.07813e-08 10118.02532 13290.68179 2443.640395 7363.794468 18156.66618 17616.11447 12694.41012 12323.48853 15262.59996 80.9262641 0.702553727 4.07813e-08 93.71571762 2.797720584 4.635109786 4.07813e-08 4.07813e-08 4.07813e-08 5818.142796 8890.314323 3176.577847 7877.50356 11545.33568 13034.41283 15152.80314 8658.54231 14054.4889 13240.95406 9206.539903 5383.87226 3609.880806 2209.754346 14.43168223 4339.113551 3.631506951 12750.8175 Menthyl pyrrolidone carboxylate 3786.892768 2715.144992 5069.448207 4950.616388 5834.890988 3601.99007 2365.756314 2547.624183 2340.666379 4.07813e-08 255.8676361 284.1406266 270.558655 367.5609707 4.07813e-08 281.2552421 4.07813e-08 117.3954948 2576.341344 2381.625644 2134.427857 2598.09043 1951.823231 1823.353213 1994.658164 2633.934393 2199.723874 4.07813e-08 4.07813e-08 429.1915974 111.7955504 102.9841548 238.5251933 137.662785 484.8603567 254.2041237 2233.330651 1898.723677 2907.150739 2230.414647 2451.046878 2188.202898 1887.449774 2090.831332 3321.769986 2807.605575 2107.425113 2278.911913 1551.122008 1565.296961 338.2601242 2301.534603 154.1988596 2446.164674 N-Butylscopolamine 14509.29636 15301.78209 11596.23803 10829.16334 13270.36133 11170.66814 15988.59708 17055.70672 23513.83465 14182.32978 13280.07977 8924.44056 10339.74044 8294.515477 20282.61414 7925.54938 25794.13421 10115.00311 19028.70356 16996.16448 18210.75056 15945.23201 17202.28588 14320.80037 17274.57821 22801.12453 15876.78889 17025.6758 20203.13258 12182.92416 21421.04176 16150.24388 21401.83762 24543.99074 22725.70433 17644.96528 14712.41438 13711.63262 15452.51332 16276.39649 15405.64984 19216.28632 13219.94786 18850.81745 22566.13327 12925.66461 14983.58732 12745.65475 12031.28298 17156.6006 18054.58913 14982.09028 14521.80562 14630.08876 LysoPA(18:1(9Z)/0:0) 553.8248212 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 217.8199243 1411.091026 3952.737741 892.9990197 4.07813e-08 1846.27621 44.60047054 2807.279194 4.07813e-08 213.0097532 4.07813e-08 241.6877745 234.9804283 4.07813e-08 603.6998652 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 463.0277853 216.0452913 4.07813e-08 2209.165973 4.07813e-08 1558.994126 15968.19411 1500.960191 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 706.5849012 1521.135992 2357.754236 4.07813e-08 8938.953156 4.07813e-08 PC(O-14:0/O-1:0) 248.6735671 332.5128508 116.4019718 4.07813e-08 16.14248605 73.83595938 0.054916429 5.02718637 1557.547259 7771.375076 4737.969639 13012.77866 5028.736788 9223.2828 8588.850916 7550.185015 9874.045444 13376.48084 55.82684722 11.4420997 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.7085346 4.07813e-08 7789.911571 8222.391947 11505.12573 10539.79137 14903.71118 11679.09884 6240.359817 2944.582431 7393.930625 4.07813e-08 159.4184272 2.075579501 4.07813e-08 4.07813e-08 171.5925661 307.5720863 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 309.6945536 39.25813158 12.07038626 7147.323495 4.07813e-08 2.529693518 4.07813e-08 LysoPA(i-19:0/0:0) 552.9234301 3188.025846 281.8851135 1633.68645 4.07813e-08 3258.051361 1451.339827 8079.957088 8299.409759 7791.899289 9274.951587 5139.227544 6873.893975 8127.098497 8950.908131 10484.36329 14649.15457 8998.445595 39.48746691 19.57792474 4.07813e-08 401.4746274 230.5641418 4.07813e-08 4.07813e-08 4.07813e-08 406.6263335 9944.947621 13099.8094 10418.28628 9091.394199 17766.02086 11007.33639 9519.337026 5961.523761 8051.0791 790.0696251 4.07813e-08 1659.689891 4.07813e-08 5.185837559 4.07813e-08 441.0628251 687.2152812 121.0879106 0.086803477 2034.691992 1427.038809 1766.402888 5293.651636 7254.258373 1355.418766 12753.5342 1454.881143 Balfourodine 2078.07325 1348.894088 1797.158191 1565.060712 1717.492963 1267.826069 2396.449771 1528.058508 917.4532076 564.2619928 167.2692034 262.2563862 480.3876478 375.3379696 126.2384826 478.4046304 257.1815873 286.6171034 4237.928896 4958.374035 2841.947471 3604.498201 4485.475005 5237.514796 3966.679521 5602.943986 5876.55367 698.2139764 261.5066895 523.1635739 284.3756355 1096.814795 971.6161609 559.5880347 216.680534 578.2496482 3911.778309 3660.529893 3993.791232 4256.965839 3913.930185 4498.666658 4483.732681 4921.034654 6111.007323 2979.308724 2793.95099 3110.871492 2109.166232 2679.460704 551.3351794 3427.162445 288.517194 2955.589559 Cheirotoxol 3376.682457 16416.53864 575.1185249 1532.295478 4.07813e-08 4.07813e-08 3583.873481 2322.267916 10532.90611 15145.49282 9431.514802 4.07813e-08 36493.7903 36410.43949 147.17483 4.07813e-08 1716.686665 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28195.1765 233.540361 4.07813e-08 4.07813e-08 4.07813e-08 4997.429107 723.0647851 440.2823873 774.3199151 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.92782126 4.07813e-08 1965.886714 4.07813e-08 4.07813e-08 468.477701 41688.5083 7029.271991 38354.80121 132473.3091 911.3372114 5585.261547 424427.241 58859.91212 eucatropine 2345.171056 2047.31023 2049.382038 3097.6537 3574.716398 3923.545379 2943.640418 670.5131661 1315.315866 285.7710721 682.5248755 588.9229988 551.9109389 1043.969501 568.6059677 252.4951545 4.07813e-08 90.9319145 4164.517923 4344.190348 2944.730496 3347.202193 5609.338231 4712.235892 3708.528443 4098.032673 3598.153894 107.5057476 412.9593016 773.9474662 452.872109 702.2191807 912.6870558 8.794648868 4.07813e-08 504.5846291 2694.15588 3179.881476 2653.910066 3447.548827 3804.249618 4721.63638 4299.402051 3917.356181 5968.618375 3859.418708 3573.77037 2920.408959 1222.229201 1953.92961 713.347727 1974.410942 1089.265372 3931.681621 PI(22:4(7Z,10Z,13Z,16Z)/0:0) 38.15497084 328.0249158 296.957449 4.07813e-08 4.07813e-08 4.07813e-08 446.5102637 9.985421046 4.07813e-08 15720.56206 17369.31212 20953.81479 18020.16907 40931.84257 21406.69116 25928.95624 29213.30953 42962.26525 4.07813e-08 4.07813e-08 0.19342408 4.07813e-08 851.3540191 462.9058708 11.52961064 4.07813e-08 4.07813e-08 17200.20668 24611.90537 30102.37793 20301.96643 18004.23425 14020.9929 9635.647789 9909.694577 35079.55762 4.07813e-08 4.07813e-08 4.07813e-08 430.3294038 5.223833883 320.4891638 4.07813e-08 4.07813e-08 395.7657233 3.254565059 4.07813e-08 4.07813e-08 873.022717 725.6556832 20991.72318 102.2222358 11776.44846 4.07813e-08 (S)-5-Oxo-2,5-dihydrofuran-2-acetate 2072.116797 2009.477998 2099.888982 1826.52624 1730.775507 1347.686695 1829.350975 1823.695901 1434.213155 1369.88263 1288.526167 1268.941554 1109.777493 1307.097073 988.0774379 1781.358527 1580.938656 1492.346824 818.4472123 915.755276 1059.082858 1011.276577 742.4952575 739.97985 996.2016169 1363.685079 1728.877257 964.9985487 1449.811902 1489.873531 1349.639783 889.7524572 1582.923412 1198.16786 1679.838623 1603.029875 1594.003426 872.3983947 1057.102795 749.8294406 1239.164804 970.3550202 1500.492655 984.718466 1337.127388 1341.883267 1173.097063 1017.940189 1610.909835 1234.882464 832.4271373 1373.351963 1726.952402 1680.320026 Corchorusoside A 4.07813e-08 1344.745187 682.4779372 529.522424 4.07813e-08 4.07813e-08 4.07813e-08 2251.370768 8566.884159 15968.71158 13407.41845 10000.66131 15253.55928 25491.01592 18133.35849 35394.37712 27117.62736 29736.38555 4.07813e-08 4.07813e-08 363.7600884 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13890.91317 6745.574917 44086.95966 23619.55729 17472.71191 9712.229587 8934.642469 15611.3703 33960.53213 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1109.505849 379.8344982 9725.488586 1062.656859 35000.37267 501.9734945 TG(16:0/22:0/24:0) 535.1047665 2236.479466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3165.016774 129550.5016 160712.8646 88965.12471 364282.9404 229017.5426 4895.012631 382.3743242 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 904.8520825 145161.4975 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73871.04334 4.07813e-08 4.07813e-08 732.384651 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1298.920956 4.07813e-08 208.0564715 4.07813e-08 27987.3916 4.07813e-08 7998.584485 38016.23899 30946.79942 614.1273854 1198717.528 31533.75491 Tetradecyl Phosphonate 276.06225 379.4922613 508.4303818 0.003588512 662.7205184 575.6815822 812.8868392 810.0303612 238.013426 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2692.82749 3676.312467 1111.803032 2622.180993 3494.077484 3501.127824 3192.61531 3485.13523 3833.898357 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1693.088432 2090.491846 1073.358989 2321.608999 3472.639872 3178.614152 3774.294434 3183.97457 3821.937337 2731.057336 2060.20031 2391.615912 1029.540397 656.6790076 4.07813e-08 1753.976985 4.07813e-08 2541.148252 Cinnamyl anthranilate 1240.418775 804.642771 1262.426184 999.7280799 1273.752786 1538.470478 1471.717301 1730.7417 1244.573234 152.3360801 155.6750256 103.729458 4.07813e-08 68.04183966 1.380046264 233.9623195 210.502939 225.954208 1446.100329 1210.993394 857.5254059 1510.1191 1797.6124 1404.472651 1589.835974 1343.642663 2066.949846 4.07813e-08 303.6844999 151.9137482 129.3100243 161.4729853 171.7476648 181.9142018 203.5494242 96.19099871 1073.50554 1020.177981 1194.800059 1252.220217 1560.601915 1444.013505 2046.57184 1558.229402 2207.376017 1315.027205 1071.114943 1107.380407 599.798003 674.6086468 178.6589521 876.1192712 62.15961774 1432.185238 11Z-Hexadecen-7,9-diynoic acid 1640.765145 1054.111953 1120.494515 990.9583468 1710.933342 1392.69112 1946.560812 1025.798624 1168.249342 152.7122943 130.4514147 280.5175621 105.2264386 210.2422123 56.66848111 127.8357019 132.4716858 295.569537 2943.910407 2982.409798 1815.614623 2180.881274 3921.357064 3253.642617 3042.043825 2576.08756 2873.129963 180.7114044 436.3306378 517.681547 371.531603 377.242795 336.0113342 522.5437189 401.5646544 279.0664758 1954.655029 2408.392008 1983.923233 2005.981639 2797.629895 2983.977302 3630.436473 2388.292866 2399.778919 2343.975665 1381.248899 1907.768107 1550.289338 1059.111018 381.8619282 2273.5433 526.6371437 1798.592543 (5-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 8172.826396 3790.55448 7271.777968 8005.463852 10532.58258 5630.838459 4854.503639 7338.189947 5526.590711 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11322.24034 10214.60855 7901.919731 9363.696748 8354.142531 8322.690645 14615.55258 14629.18542 10883.3063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5311.610922 6842.979288 5952.867559 9032.30285 12774.10403 12155.0344 11569.77561 12926.56691 9571.510269 6966.985835 6243.558735 5806.420793 8674.385824 5109.784208 4.07813e-08 9223.770512 4.07813e-08 9179.403921 LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)) 2110.24262 4.07813e-08 4.07813e-08 2120.87576 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 909.6993325 2026.353528 3774.490306 955.2233274 4379.099886 677.8415752 2214.667785 266.4832803 499.3682463 11592.57002 170.6379837 4.07813e-08 4.07813e-08 3510.345309 2547.358172 4.07813e-08 1481.175126 4.07813e-08 2306.868185 2013.919281 4935.543338 1410.196227 4804.622987 5686.572228 4000.386325 2511.347341 3956.145889 5346.966649 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5340.009136 1413.698688 2065.008646 1305.211317 51.09259435 4.07813e-08 4.07813e-08 70.52599309 670.1868078 3853.332471 317.0383963 2401.949579 4.07813e-08 1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one 4355.531527 3664.898674 3775.259947 3215.650543 3431.389095 4273.687538 4365.215033 5017.232461 5026.032506 1003.086925 751.1759107 731.0145212 1050.678099 741.3176336 1281.401418 251.9539233 1498.400698 2062.364534 5767.289094 5527.854415 3633.29519 4628.279172 5542.867262 5294.800266 4827.867334 5396.277584 5580.334348 534.8481895 1256.794456 1035.342922 840.1989959 1546.534476 1145.532434 1231.221756 494.4209619 448.2596661 3886.334084 4799.387495 3505.000543 5273.664001 4566.509977 5140.626923 5415.838564 4287.032289 5975.061323 4689.958685 3499.888777 4391.280952 3252.137184 2535.03984 1445.287969 4150.080946 1126.3609510000001 3726.836166 Pioglitazone 348.6476614 414.6391871 585.4414277 220.2107595 479.7509707 95.36141191 228.1789862 230.521789 429.9529234 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 117.4199729 611.4234581 4713.215524 2532.330538 711.1047514 206.8244171 129.1477809 206.7994141 106.2571789 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113.0193925 220.5765525 156.9039066 1095.00447 1017.768408 664.272411 4.07813e-08 4.07813e-08 122.5819632 4.07813e-08 86.32940346 206.627089 162.2917938 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 Methymycin 5861.425656 6601.82713 7403.490815 4748.279263 4358.067537 6692.53762 6023.946524 6917.02237 3229.259324 3604.972326 2591.593886 1965.040541 2175.007835 1851.147532 1923.478183 462.362408 1086.647057 1518.220239 15435.11154 13494.49446 10523.85731 11402.14267 12094.34783 12010.36627 12840.19899 12342.33222 14100.5163 573.3198144 2333.45927 3034.859816 1196.229153 2658.159656 3156.398554 1917.861181 1453.780168 2343.345499 9418.426301 12102.72419 9348.505795 11872.28033 13239.00846 16983.69393 11479.7351 11193.03024 17437.06767 8990.185645 6881.09006 7835.778079 7563.045239 5804.175979 3039.41775 8400.884586 1373.618387 7461.861134 1-Dehydro-[6]-gingerdione 5373.69863 8219.116152 6995.667938 4646.524688 4027.199214 4445.171328 5413.09106 7640.31413 5436.268472 7536.426171 330.7065087 11858.18463 9134.908982 16388.5858 18908.16285 4123.619779 2853.597275 45282.59035 4133.911395 3454.132939 5222.905754 4077.837237 2883.165854 2261.043397 4448.428448 3575.346506 5002.667976 2199.006422 6406.783136 586.9117763 2583.758759 1921.087499 1950.611728 4698.978324 1565.010304 3666.615041 4473.209981 4027.962548 6161.13782 5783.958482 2242.299613 4075.09401 1640.257478 3995.005686 4663.530689 14987.12556 7745.603767 6379.303846 10881.03405 6442.042207 6314.946055 7121.051462 2296.913845 10100.44554 11alpha-hydroxyprogesterone 2856.398722 1711.607238 2290.101905 3252.252979 1831.737221 4219.267188 2191.850763 3068.510387 993.7799085 4.07813e-08 69.21670121 4.07813e-08 4.07813e-08 75.07406918 4.07813e-08 4.07813e-08 53.87616902 4.07813e-08 5941.840671 2501.748711 2595.319712 6397.366757 844.5052653 2431.957579 1778.643606 401.8478613 624.2437293 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 75.08444513 5637.862311 2218.573371 2949.644836 2086.925068 5277.548183 952.7324889 1639.695186 605.0665739 2094.976221 2251.526091 1700.122059 1362.924558 1101.328277 2598.809606 297.2991848 1876.840345 2098.53627 663.6660345 Thromboxanoic acid skeleton 5710.328183 3982.446592 5493.317894 7773.957298 8954.230267 9056.593806 4283.231683 3228.984552 2532.327203 16.0752079 166.0628549 230.776361 8.995312391 490.102502 84.51833228 162.2293559 4.07813e-08 164.7811961 4587.379419 3115.190466 1843.360174 2561.206214 1782.006763 2817.179018 1888.111212 2080.393785 3884.650147 75.14458875 52.89717935 458.6918622 38.30632312 22.05481351 83.99689476 48.20566691 87.37366656 214.746316 3955.85465 2814.93244 2439.834802 1837.560948 2456.810977 2930.477636 3409.049748 2747.619081 2943.701801 1182.962338 998.6945887 1717.968921 2011.912571 2175.923771 81.01763796 2618.617952 19.41547342 3392.660042 Spirostane-3,6-dione 5605.991325 3408.692931 6957.030152 5875.825219 5215.20372 5251.595973 7098.309899 7797.828314 5790.61472 1544.171579 2361.730807 16852.63463 1881.747634 23372.36858 29523.16393 14988.98973 18793.6414 26543.1609 6693.634353 4319.705406 6224.737622 7641.158499 4105.871041 5502.085656 4981.448746 7090.875449 3998.874756 21131.48494 2905.214499 2247.260252 2049.390955 1674.457268 2881.614095 3057.258688 17248.77544 2902.015671 7668.827892 3608.343632 5812.204483 7349.34279 6665.748654 6397.345434 3980.643675 4427.699526 4797.776511 7681.100542 6113.97188 13718.60624 7422.354175 5046.289631 7333.807509 6813.227022 326.904709 4613.843559 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone 434.8343617 2034.937578 2610.623265 1814.555789 5282.523938 6121.606555 1089.011314 288.6304679 4.07813e-08 4.07813e-08 96.53117865 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1125.247687 1050.579374 3370.249803 4491.259559 5578.210011 1494.198135 993.2759816 1010.847551 2805.609371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 111.7060059 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 972.9571788 6833.42258 1966.508612 8410.989813 4741.738406 3190.724201 2635.112486 699.662481 4.07813e-08 4.07813e-08 269.3184014 476.2484653 715.4235006 1031.81252 4.07813e-08 1005.749805 4.07813e-08 222.030661 2-Deoxybrassinolide 2665.729114 6796.442634 4167.093336 487.599045 266.537272 2070.104545 1231.499201 5175.345676 8644.394988 7176.411245 6731.397263 23704.52118 6291.434078 55371.4586 22778.65918 20474.32102 928.3760791 17929.03552 1387.520955 350.4041099 2733.888916 4435.894597 14.92118928 731.3571811 954.676198 9.007472343 370.10053 722.1500393 8427.219876 1985.050249 6064.510953 5980.44451 1316.288224 4715.110535 1873.384405 804.0894385 5300.863789 3.619768253 1090.83717 695.2371011 1957.956648 0.712552682 305.6919181 47.08683456 366.5427567 135.790919 12501.80575 1253.941198 13331.20183 6735.528724 8967.879208 1450.157584 944.1886747 243.0651642 2,3-Dihydroabscisic alcohol 9485.521311 7963.372364 8396.35813 9151.368402 7621.143834 11730.69436 11269.0267 11165.20616 9696.923765 4035.994506 3704.868324 3422.848174 3695.813947 3503.472566 2915.025302 5639.345465 5344.419837 5062.10037 8376.443405 8387.297858 7247.384418 11608.86117 10390.27234 11940.15064 9536.422701 7920.441897 8056.810687 3454.119709 3610.756967 3930.168009 4685.40874 3090.833444 4348.553121 3783.306488 4537.863911 5694.915841 12983.41103 10876.07334 11982.73297 7920.156854 11533.96439 11391.14074 12642.52568 7767.002496 6227.100278 8391.310395 9983.757203 12818.49147 12066.68211 8962.729403 3897.751847 10054.19914 3894.161632 10743.67762 Steviobioside 13650.43672 5497.874114 11240.99515 11143.65466 13304.32704 13715.37445 13638.1847 19911.31782 3752.337769 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 226.1644526 15433.87297 14330.47024 4883.019029 4170.817413 2620.781551 13644.69294 1417.536322 2435.934431 1549.295696 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.838014206 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4660.062463 11690.47656 2609.464369 9630.825094 11322.20143 6150.150027 19917.09216 4434.305254 2093.112312 56876.45185 2525.235345 11413.67599 4594.00466 1619.825954 300.5578889 8308.753636 231.4505088 46719.63404 Pyocyanin 1567.655392 317.838502 1619.213016 1233.884245 1484.060494 3058.941891 1616.472537 2177.636443 2757.493627 4.07813e-08 0.958417485 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 470.5457056 72.58887863 1099.5879 1323.605912 496.9921018 463.7658138 343.7408249 4.07813e-08 301.1828423 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.46807329 2424.325571 583.8268683 1339.96557 594.5921676 640.4714514 575.1228221 242.7479072 154.6224199 37.68197045 333.5154074 1224.925048 2155.467737 2259.33176 2860.38404 4.07813e-08 1401.580461 4.07813e-08 1943.685447 Peonidin 2321.509915 2562.565433 2083.754907 1949.421383 1480.595869 1702.914264 1603.865387 1450.476671 2366.932238 1168.530839 1195.251952 1417.463531 1381.321938 1329.857656 1084.500888 1399.738488 898.1377482 1628.559324 1084.407434 916.8808028 1027.477739 1273.628549 876.7092846 969.1790492 1593.760757 1291.800709 1355.217484 1314.192312 1138.086733 1778.307015 1476.299538 1501.034051 1389.364757 1448.827912 1641.896236 1461.323065 1878.126466 1540.683916 1129.991602 1010.686335 711.9989818 1360.074531 869.4759285 2221.303094 1273.452325 1271.906135 1490.358873 1182.679602 1263.447516 1464.605417 1105.127802 1400.403903 1914.887321 1949.614568 3-Polyprenyl-4,5-dihydroxybenzoate 1627.491348 3293.196749 2898.354048 1951.387369 1748.1762 1268.857955 2813.539228 2047.650832 942.5628963 3862.65763 637.8748254 5582.033562 4507.493618 6649.766645 10548.60119 3154.050189 4229.23367 18657.21168 1129.970679 1151.16055 1926.732605 1558.553679 637.4883463 661.5734423 1515.518514 1613.209397 1317.446057 1812.70744 2750.329946 596.2028085 952.927226 658.4710674 1652.831196 2578.820125 836.4473759 2197.152327 2151.629905 1143.720472 2271.992002 2196.210423 699.6350253 1096.202241 723.5220234 1377.90895 223.3004366 4995.2577 2447.881144 2360.006979 3326.337578 1565.061358 2528.159216 1981.947151 727.2081122 3712.912788 {2-hydroxy-5-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl}oxidanesulfonic acid 2426.582999 3285.309971 6557.241733 1372.949121 667.9985238 5196.337617 1180.350672 11094.15885 11548.15135 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 195.3374553 17851.66219 10570.08932 11031.36569 4231.959868 4203.189156 4.07813e-08 557.0770196 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10385.63185 4762.694927 16343.72864 12301.53773 2946.537436 4858.790041 4.07813e-08 4.07813e-08 4.07813e-08 31624.34646 22313.62408 11780.97276 10648.28316 5582.658167 282.470811 17452.83559 4.07813e-08 4169.07956 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 96.37864911 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4673.277967 1708.220235 4.07813e-08 2462.778864 4885.735955 20315.66593 59330.75218 20.17801379 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 194.023135 4.07813e-08 7903.763309 4.07813e-08 35126.39949 4.07813e-08 3587.976345 6130.71254 4.07813e-08 36539.19843 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3549.411248 4.07813e-08 12604.32433 4.07813e-08 Rockogenin 3825.245806 2771.158252 4026.66863 5886.57322 7734.162951 10801.3842 5344.977542 5584.210639 3328.63283 1310.414492 1193.883325 9482.102081 1050.421881 19755.89362 18093.22947 7079.346934 42708.70733 12401.22003 6441.598894 2664.9017 5025.300214 9003.29678 8639.836937 7020.364236 4289.159278 4397.597168 8440.825939 13929.20932 6651.714312 2055.257092 2974.600449 2756.881067 2540.64771 6112.554654 17189.56299 4450.072534 9305.102227 3920.089243 6122.950538 12189.3173 8580.450689 6238.453857 6446.214406 3099.345696 4348.962728 11680.19774 8911.005281 7867.357737 10139.95376 2385.825155 1178.869622 8634.682177 929.3534186 7609.403437 Heptanoyl thio-PC 989.8902857 4.07813e-08 952.2263008 4.07813e-08 4.07813e-08 343.2519012 4.07813e-08 4553.537781 1912.487914 651.2632155 4.07813e-08 201722.1256 288.0442818 244539.5345 213103.3812 39731.57115 233399.7001 152649.0139 665.464237 4.07813e-08 3578.463323 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65167.81691 114571.3402 4.07813e-08 60132.14761 8872.844195 4.07813e-08 117837.1105 145704.4853 8940.419532 4183.240836 4.07813e-08 9991.734972 208.8061992 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3853.077758 51682.2789 8135.742514 12558.66551 4.07813e-08 9818.508797 18554.71236 4.07813e-08 4.07813e-08 FTY720 (S)-Phosphate 3282.716203 1928.501341 2718.768651 1256.648234 762.9402283 2517.142754 2752.637378 3807.660986 3411.163279 1708.626968 1726.559463 795.4928358 1718.851974 833.3528609 973.5143554 100.8887094 1590.419391 815.248172 5940.030003 7545.638 5812.695944 5642.704481 4892.520412 7104.309973 5726.282521 5373.026114 3895.985496 2661.533033 1839.114709 587.4207856 1033.801798 2505.539743 708.6159982 1452.427636 552.4348576 98.65774157 4226.386585 6306.242269 4563.053236 5723.999266 6287.909053 4974.794047 5949.340188 4845.489248 9814.041503 4552.271245 4390.566308 4333.662561 3508.317772 2996.508027 1422.833989 4918.331451 1255.591178 3052.01954 PE(22:2(13Z,16Z)/18:1(11Z)) 1133.937456 22249.96721 4.07813e-08 4.07813e-08 4.07813e-08 2402.994706 4.07813e-08 4.07813e-08 2919.094648 50240.7353 4.07813e-08 659184.6383 61833.79946 1210563.142 1056460.901 286198.3695 1297673.865 946914.2243 4.07813e-08 570.449817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25.97357055 34.07773442 4.07813e-08 209995.8198 246640.4111 150.8403258 117221.0814 2673.680153 4.07813e-08 224432.9748 601413.4653 9605.367848 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 271.4790238 76961.24002 3875.869092 62855.57061 10334.79294 137119.7345 5599.660306 4.07813e-08 7923.374447 Cicaprost 13745.81201 7647.290295 9317.949879 6327.279615 5764.979888 14210.50923 13499.10964 7567.118504 3328.34626 1656.66397 1709.30066 521.6894618 2557.355848 283.478476 803.8736367 0.487517507 815.1362531 907.6470249 23503.40687 25237.2046 19337.71477 20357.21335 26254.86015 26654.81008 18061.29651 17152.87419 15744.20032 575.6988762 1617.779893 492.8958115 639.5879922 1252.500552 665.6237188 845.6522107 301.5500347 4.07813e-08 14096.50945 17981.67134 16203.82081 17268.66561 19825.04765 20695.74695 22349.88333 13540.88536 19946.89403 19412.53208 12262.14685 16749.81573 9407.697621 7022.988605 1788.493644 15213.82247 388.9681329 13583.08144 Fortimicin KL1 1461.616018 6252.802436 180.7215204 1394.953715 4.07813e-08 4.07813e-08 4888.799967 3135.126637 3043.417247 19017.56288 19226.57433 21356.37885 15439.87989 21283.20367 22161.46815 29282.23764 9892.738318 22370.87321 4.07813e-08 4.07813e-08 4.07813e-08 36.53061154 4.07813e-08 2623.054533 4.07813e-08 4.07813e-08 4.07813e-08 16103.00801 28879.78625 18918.05767 22877.83586 28457.43746 22755.71721 30807.48768 12627.31237 17192.48404 2073.35875 4.07813e-08 4.07813e-08 31.92877592 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1985.188771 4.07813e-08 115.1700323 3269.097937 7647.060678 26885.95438 2951.642254 30413.31047 2872.185075 Penilloate 76316.10972 91259.54775 127017.5293 128017.4149 86666.59502 65406.33763 103061.5187 117079.4583 102229.2102 113773.9894 75461.83315 56222.49677 122580.2796 77019.55779 63515.42786 108063.6419 181346.029 96656.51268 34011.68118 20574.02481 30072.88432 30729.80714 13780.72765 20768.95551 31638.015 24536.32359 21725.92506 154229.2022 101123.4081 111687.5734 287535.7063 149920.7269 69228.72333 284178.1064 131791.0144 144118.0424 45198.22849 70950.10242 60952.02598 31828.41029 27505.75795 27153.61553 15408.22153 24686.10256 25244.23947 33780.57703 29676.92999 40279.77513 101772.9499 63949.3494 67482.5344 63785.71771 169968.0183 86120.78517 N,N'-diacetylchitobiose 24503.47442 34059.70002 16649.34482 16840.32326 30239.04336 28575.31543 27430.6215 60670.43043 31897.92308 11138.01948 18889.25878 5534.838011 16180.96571 15447.44211 21720.16349 21934.52829 34344.29094 17464.80364 13166.73238 8842.987037 35175.88073 13294.26262 17191.17067 10002.42111 11144.41594 8530.487823 21009.31083 4081.102829 12933.95501 11439.36383 12117.41773 10444.39288 12447.95175 13610.08421 25875.37308 21926.46633 27403.0794 20728.29282 31471.39286 12318.20253 19358.97673 15544.21622 12895.45699 15064.94533 8121.437609 24773.13029 23129.29209 15167.35667 26503.39834 29372.89833 12907.31453 25627.11312 12609.89645 26903.81604 Ethyl isopropyl disulfide 1176054.012 1006406.6 1454660.129 1388287.316 1442076.131 1460221.264 1155251.012 1711905.072 1590250.624 78808.8192 81271.33841 48639.11563 63371.15494 104498.8658 66433.85501 43923.22893 108056.3543 145353.4901 874982.8393 792884.6545 838262.9386 609112.7424 1173995.117 1045347.958 1114658.633 415473.0913 1065634.539 73557.10281 79697.71166 111479.5872 17889.19437 153787.7293 91920.83237 41238.22514 96556.37932 70557.50458 575144.0619 1032276.393 1030416.945 1655953.31 940886.378 923125.9583 1168966.258 730900.6826 315065.9837 1381498.85 732804.764 1181782.603 1039779.086 1149176.847 66260.69006 1285764.591 17068.92746 1226388.148 4-hydroxyhexanoylglycine 23112.64682 31744.07797 21763.54542 28243.33948 21574.16226 21021.88169 27811.62253 26711.89786 34997.14869 35201.11129 40855.52072 49117.94206 39654.45636 49403.07306 30508.0321 27167.58021 17175.75013 24307.32616 27258.59713 28838.88715 23312.01956 21014.12709 30694.51089 32947.7168 28663.23891 29530.36325 23960.62495 27780.24644 32703.78247 35815.37197 25532.08388 33881.14553 29896.51676 29110.81853 18484.43565 27515.27359 21825.26983 20604.96006 17107.32072 19674.33186 22938.92537 27037.6567 26185.16324 32206.94522 23064.2312 23532.20452 32378.30149 20386.07445 23246.75609 37932.92004 28823.43183 22754.38181 63986.06271 28257.88222 Imidapril 4.07813e-08 316.8837249 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 353.1441493 394.7902538 852.746215 379.1336197 636.2563031 1277.048836 957.9991912 911.2114774 663.3657486 1011.743707 402.2255938 3275.168357 4.07813e-08 3269.973606 1576.500187 4.07813e-08 4.07813e-08 4.07813e-08 786.5584808 335.9232698 419.8513643 229.2783309 1179.669592 1582.824191 2169.700211 13141.30944 1052.25373 312.634473 1354.970859 4.07813e-08 496.558543 601.6337953 4.07813e-08 698.7484635 346.1673644 4.07813e-08 378.9655146 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.5387249 1246.32158 1364.468851 4.07813e-08 193.3894293 331.541503 Hexahomomethionine 12085.83762 14880.82081 6623.145555 16224.61544 5123.445276 8461.169733 15498.24268 12920.66739 19228.11351 1249.53456 1644.738073 1359.440907 1230.502246 803.5608043 1352.948676 1016.704659 3123.610917 661.6755382 1526.357078 1473.243716 4287.226924 1293.900218 2830.463075 2060.801161 2706.391623 602.7770773 823.4681245 1751.786725 940.0168764 451.0013861 719.0380623 317.4545662 4.07813e-08 408.1405757 3142.63433 1023.367624 3628.85462 3322.764613 4606.692656 3433.327126 1711.499292 1412.748048 1657.947994 1132.129174 479.3672112 833.3202784 4938.602653 3034.025006 8944.969666 11537.68644 4.07813e-08 3173.892262 1087.436793 3214.801368 4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one 7680.368704 4998.126557 7066.411495 12097.61558 9653.779944 6329.771245 3466.71003 6564.915318 4190.193797 10433.81031 8653.719089 13223.01812 11365.87206 8135.22679 3263.5057 3788.33894 2233.960597 8925.070017 4507.507685 3251.042957 4884.013072 5982.36798 5464.090353 5070.982282 7204.148715 3525.525484 5495.879005 6506.83394 9240.650332 10830.33638 6480.998738 8893.526903 10511.61442 6295.765736 3103.291728 5698.854026 6450.505325 5878.827499 6159.274809 6778.739903 5480.617726 5696.512198 3690.876924 3711.938606 6741.482534 2014.27981 2490.314433 5879.584102 5059.920634 6144.950412 15479.3425 6376.496034 4826.499611 5222.07499 9a-Fluoroallotetrahydrocortisol 4.07813e-08 1751.664142 4.07813e-08 1442.62943 1016.697662 535.8221728 1235.126293 1844.132629 733.184967 21716.21842 13582.45023 6734.665387 22675.27944 5350.381475 28700.96788 8921.018729 13028.23152 12769.75899 487.7924798 70.44403574 65.5416626 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19999.0937 16128.7467 8551.9893 15125.31153 26094.5351 14311.50541 26799.53189 7750.425708 5974.944113 458.1736602 4.07813e-08 1145.378954 249.302089 468.443144 157.0844234 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45.90584746 584.9540993 5516.222749 13217.88538 31766.68031 2063.075517 15734.09172 586.8226808 AM2201 N-(2-fluoropentyl) isomer 9832.714453 10167.41629 7066.289962 10022.9695 5986.095075 5367.559821 9511.881563 8491.619161 8151.940602 10977.97585 7941.182069 29474.65625 12246.4535 5170.873278 11536.14767 5821.148412 7394.489862 11128.48091 8734.589003 9036.679238 8966.95773 6706.942879 8478.558601 8285.842197 14679.60166 7907.931559 8825.079159 25577.73584 16078.71662 8122.970668 20574.49101 8531.661019 10070.31777 14649.27104 11623.81382 9946.278956 27995.53334 7733.327307 7301.037487 10539.4498 7838.365844 10052.67097 6852.868812 9811.862061 6422.782726 11752.54996 10159.35996 8848.829287 11714.78521 13311.01606 13668.90785 8957.49156 15840.36446 7861.428018 Bisdemethoxycurcumin 2007.713916 1734.471586 2389.738536 1676.401146 2185.763221 1769.665044 1392.14573 1299.117113 1677.88147 6154.180096 5513.41433 2746.754351 7462.135401 2915.367763 3816.837673 3061.277447 3378.442169 3155.355842 6788.065625 16036.80142 5588.781397 4485.554708 6917.866497 7237.957631 6159.305282 6854.976569 7044.320114 3394.864127 5474.62036 4045.684294 4262.090605 6153.289073 2765.746858 5010.121077 2230.771798 3316.025441 3657.311329 5170.929604 4940.678646 5706.358827 6007.713154 7465.480386 6829.446632 6981.030199 11016.69322 5361.100923 3912.961742 4309.665601 3891.24955 4814.999708 4999.489449 5013.437051 4531.494437 6300.129582 6-Hydroxycyanidin 4374.02128 5980.011413 4589.815641 3131.71482 2223.645314 2158.525157 1858.04304 16443.78955 8843.565882 4.07813e-08 4.07813e-08 2953.823111 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5966.047549 3642.188191 3408.118558 1878.749727 1467.539107 3489.130592 4338.371176 276.452329 787.8968726 297.3610149 99.92350799 4.07813e-08 463.4001708 4.07813e-08 4.07813e-08 4.07813e-08 566.782325 4.07813e-08 3722.46357 3021.347273 3086.181013 4174.522111 5315.104192 3332.33599 8362.28117 179.3829439 4.07813e-08 11213.72997 4098.013442 14200.12142 9266.38099 17002.67598 4.07813e-08 14639.73154 1677.69795 4214.222744 3-Oxo-5alpha-steroid 928.2438719 810.5462829 2204.898708 1881.88367 2495.981393 5468.501644 4263.280413 4002.134045 3201.456389 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2323.26615 6820.55919 5785.823524 4665.490738 6118.058941 8009.330832 4383.566478 2122.313417 100.9479904 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2959.291942 2039.826097 2891.692917 4263.069262 7841.711127 1740.711559 5249.109944 1924.290127 4.07813e-08 11496.45397 6073.834851 9051.181462 3849.408902 2461.396723 1902.072454 4457.811063 4.07813e-08 3229.887934 14-F4-NeuroP 6304.591903 4232.163214 8024.959403 4920.176892 2408.998074 14205.5727 11465.404 4293.892207 7547.98206 307.6029208 263.2271806 1176.609264 322.197067 795.7462335 1092.591214 710.9834125 602.2982593 597.8952329 16531.84447 18277.84585 15090.79164 16611.92958 17819.05562 20762.96207 12269.73577 6246.94057 3370.024194 4.07813e-08 816.200028 4.07813e-08 274.7974883 255.8555292 199.0152505 713.8688384 4.07813e-08 98.67377591 8178.917922 15361.95613 11458.25024 14006.69253 15126.30845 9435.217109 21864.03799 5081.204338 4010.323876 14288.15675 14677.44685 16091.84453 6607.169847 3364.572168 893.0617937 15673.37528 115.6522664 8369.719812 Albendazole-beta-hydroxysulphone 4.07813e-08 897.2254821 610.2912104 748.1290612 674.9593677 864.7357702 563.5548951 850.8736869 1758.112242 1457.94666 1937.17128 1689.150861 1690.132343 1834.026981 1009.445772 1612.471765 1436.368537 1500.73183 560.6600872 991.3584707 811.0682672 402.2444796 627.3408085 561.3970951 507.8445231 878.62464 229.770181 1242.723091 1821.576932 2204.774168 2107.322726 1427.184576 1094.357249 1299.768363 1143.632016 2585.386072 471.2449072 480.5653437 360.0476165 203.4238406 1115.255876 351.1974899 664.7898665 1406.141164 732.8468151 636.3037971 1413.395409 958.7111546 477.6836899 485.8428014 1505.234423 883.2335597 2584.677982 697.5094546 Diphenoxylate 4255.09834 2114.963092 7632.610718 2371.576441 3999.8066 11438.36174 4755.42424 3195.871358 4658.290608 4.07813e-08 4.07813e-08 42.53470167 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11222.68119 17148.22602 18585.93659 17515.86339 23407.48711 33863.30179 18405.42725 3667.320118 4179.167679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3947.47725 12923.90582 11128.64341 16913.77696 14362.49055 19326.79191 27443.8978 4147.714985 6457.735016 32947.06639 17377.17271 19954.52879 6168.869849 5309.437787 1989.329294 10460.02377 4.07813e-08 10293.71207 Glabrolide 4.07813e-08 4.07813e-08 4.07813e-08 2586.501352 4.07813e-08 722.6346034 887.8944753 4.07813e-08 396.7414263 46.7346909 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 103.4071427 4.07813e-08 4.07813e-08 4.07813e-08 648.7110731 857.2851166 600.216838 3515.314918 412.3228121 3317.220976 1351.800971 1338.929413 1345.379775 4.07813e-08 4.07813e-08 7.357625908 0.001540849 95.83856366 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 216.506281 309.2215249 120.2677079 946.1581964 2685.896676 184.2758104 3109.770657 4.07813e-08 221.1123717 4.07813e-08 1019.757263 334.4682285 4.07813e-08 4.07813e-08 4.07813e-08 471.1457389 36.86733653 521.4776321 Tanikolide 3411.566174 1375.961565 3135.538111 2932.496122 3518.096173 4101.18002 2684.795403 2180.702427 2158.60048 487.8061697 1275.244593 639.3493991 807.5311275 675.607504 431.4581143 1061.541028 1155.268483 1055.683995 5967.317469 5747.005043 3828.991969 4571.551721 4039.342059 6803.608147 4687.407589 4417.170313 5949.603746 904.5852161 658.6356825 2511.480896 910.8509852 772.4939517 1111.231066 957.0507667 847.7838115 2311.987056 3240.737916 3425.518433 3197.053089 2792.706197 7463.035397 3844.940784 6939.531519 4110.570384 7012.825935 4608.387186 3549.787434 3309.167757 4108.657236 1990.376643 984.8860465 5176.295014 1263.586628 5562.709681 N-(3-hydroxy-octadecanoyl)-homoserine lactone 485.7370289 663.4718464 336.414853 1090.904783 1382.996233 1751.219239 939.298755 54.89356533 633.1811014 378.0884303 318.7122888 213.7792403 993.9997944 195.6075629 568.9217431 245.6314382 202.844086 225.6600783 2389.552645 1721.883565 3118.539125 2574.443964 2670.226089 2756.904293 2532.790469 1045.432028 1579.390986 202.9403427 105.2653595 122.5950567 440.7666286 564.4739303 110.8924419 804.9469037 193.274248 152.3305682 670.4193657 759.7835758 1353.837228 1725.38485 1316.523481 2913.32666 1976.414863 1276.705233 2557.654648 5448.147383 2732.589479 2585.617426 949.4218454 4.07813e-08 163.7066997 2027.363012 1252.366695 1607.665144 5-trans Latanoprost 518.091776 1921.348568 2758.07897 1529.768377 750.927733 3119.856159 2746.70337 1055.532168 582.6468605 259.9501837 13.55188535 3322.833839 1301.839317 4183.132421 4577.603877 4.07813e-08 1019.033881 3570.745897 1697.688724 2839.9698 4023.625997 3366.507845 853.5713426 1883.607877 2623.141655 4.07813e-08 4.07813e-08 4.07813e-08 2226.028523 4.07813e-08 3465.157819 257.6154787 4.07813e-08 1444.252667 2004.754805 1077.659928 3462.327749 922.6685541 3534.46361 2008.555217 1891.972042 973.5906309 1055.984023 306.470075 164.1278786 2874.751214 2687.821463 2844.213801 3335.148406 1323.23757 1651.844366 2798.009445 4.07813e-08 345.9215232 (3alpha,20R,24Z)-3-Hydroxy-21-oxoeupha-8,24-dien-26-oic acid 229.8728468 1350.904785 1307.833983 37214.76497 1498.497521 10832.20796 7725.35944 175.6460498 1233.2568 4.07813e-08 4.07813e-08 4.07813e-08 119.6125156 131.6774054 4.07813e-08 4.07813e-08 655.0805554 1151.996256 7682.515457 5978.895027 3372.466193 22888.95899 5642.558917 31104.52252 9521.552967 564.4627354 4510.399451 4.07813e-08 4.07813e-08 331.0813157 545.2786505 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181.56858 1877.292244 1531.472413 1323.68916 10792.05115 22712.3363 1857.391734 29316.04579 1494.547985 2707.741686 3805.871284 6416.023561 4815.189684 2502.613956 701.0101085 4.07813e-08 1909.153108 668.9351399 966.3199542 Polyporusterone C 4.07813e-08 1560.055303 1364.330588 838.417942 4.07813e-08 1771.766929 2345.399376 4.07813e-08 897.2922712 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1631.805289 2872.938247 2472.660204 1753.26947 1941.068653 2559.7449 2793.599742 4.07813e-08 259.6984375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1450.904558 1139.168958 1962.682051 1598.637301 444.8751336 2066.5352 4.07813e-08 543.010391 2853.451879 974.7522653 2820.783812 4.07813e-08 2101.622337 4.07813e-08 2757.167261 4.07813e-08 320.7854243 Amprotropine 951.8739656 435.5837804 605.9471247 1108.168627 1569.51789 1443.479941 305.1744342 487.2243232 587.7072048 3006.247302 2521.671076 1458.836203 2204.893654 948.2412161 3402.601354 3852.475898 682.3378865 395.6533265 2209.1322 2824.464494 1004.073852 2025.937376 1185.595051 2421.159182 1234.925291 2687.354433 1474.862737 446.2582804 1267.108144 1271.273182 2156.553616 1054.489801 974.8536125 641.7484502 1525.967434 996.9970486 1160.947086 1089.650184 1112.006256 863.299948 1270.630315 475.2396353 1820.266621 1883.762875 2072.967707 2076.889463 2518.893743 965.0242008 420.9266697 119.1802631 890.2420145 1389.915499 1801.926538 1140.011721 (25S)-3-oxo-cholest-1,4-dien-26-oic acid 4.07813e-08 4.07813e-08 1335.263124 1611.31828 3669.705106 2320.02422 1633.426964 243.7750844 907.654291 611.5785709 4.07813e-08 1306.834843 4.07813e-08 2358.443134 2930.166377 520.3213079 817.4373442 12936.85825 6962.46316 2437.702439 1324.143694 2528.628299 2204.691438 3856.556553 1202.506282 6811.322604 4.07813e-08 4.07813e-08 1076.798107 4.07813e-08 1534.599204 4.07813e-08 4.07813e-08 736.7207275 4.07813e-08 3602.686643 1592.097406 569.17175 441.9867513 994.2154938 4417.720063 374.7462366 1915.347405 3861.954311 4.07813e-08 2466.568903 11723.19419 5410.125392 4.07813e-08 4.07813e-08 1762.974781 5176.728586 1258.912816 4.07813e-08 Girinimbine 3059.227055 3794.623701 3733.335368 5437.886804 2945.949595 3325.364767 4627.92178 2457.738283 3334.833548 2126.781698 2179.008548 2089.851756 2601.562566 2371.761956 1695.940402 2759.945342 1018.618394 2375.682149 2206.698882 2894.669712 2664.801606 2461.2237 2983.923557 2525.827557 2036.13004 2700.771284 1635.682897 2480.453373 2668.264773 2337.771012 3634.46121 2190.783573 1748.881256 2217.74235 2227.71008 2420.53308 2598.271316 2757.557167 3154.622241 3046.280313 2196.530349 2986.760821 1687.226532 2577.408881 3276.025427 3825.107606 2836.039668 3177.327829 2384.018728 1846.019139 2380.439773 2347.252076 2626.298559 2927.907639 Heptyl heptanoate 9513.278903 12354.62597 11091.97973 11680.27046 11309.15772 10033.9763 11615.43505 9554.825372 8498.529896 10155.39578 10667.89353 7767.605115 8908.619336 15167.55572 7284.899596 13701.42826 7433.071275 8103.288967 7237.693831 8342.920772 7862.435837 8489.537006 7441.618278 8578.284994 8793.370693 9112.161266 8605.638785 6111.179996 8390.573138 9914.945197 10297.52814 8311.006715 6254.139887 6555.482419 11152.26452 12532.10396 9492.477651 8052.58748 9331.063517 7709.795047 5881.134346 7317.687056 7081.460525 10315.23583 9046.895306 9891.789284 9113.904385 9166.919603 6258.422922 6721.966301 6797.382917 9454.18201 10472.09184 10651.01509 (+)-12-(2-Cyclopenten-1-yl)-2-dodecanone 2469.773127 6761.820243 5145.845083 5065.665972 5398.466212 4597.946938 4957.121949 920.3110848 2403.689039 4112.580815 3300.259039 3362.26535 3807.152897 2932.453794 3329.696935 2751.429087 1463.260051 2965.566969 4352.733568 3425.547832 4231.756965 3484.18603 2969.187272 3426.019807 1503.1064 2425.255759 3586.677304 4011.043979 3877.260671 3932.176384 4169.382105 3168.026039 1694.475059 1656.253599 4012.725389 3898.103011 4040.469468 3918.066038 3893.326646 2927.587783 1673.570977 1956.832901 2108.559202 4382.065027 3998.335458 4305.113512 3609.673207 4177.757825 2343.808059 1849.09771 3182.04129 4189.300137 3357.670507 4928.319205 5beta-cholestan-3-one 16655.98967 17144.30501 13028.50108 12166.15365 9649.361888 8553.863939 8496.011093 17324.56454 15410.56984 9739.15937 7088.962751 7725.356914 6580.476383 5949.913146 5257.448604 14970.69518 10630.02402 11198.37902 9026.527855 8901.691069 7087.30796 8229.003159 6399.072153 5562.327763 13357.58885 13552.38805 10413.7483 5213.072392 6212.843006 6147.068627 6528.28706 3303.360056 11192.13296 6527.989169 13469.09844 9836.166433 9766.593742 7302.522125 6778.907309 5073.678068 13413.05928 11272.31143 11064.76286 14773.77508 10941.9765 9310.937146 7799.873777 6614.952471 14960.12238 11818.93377 7889.704199 11392.46266 10244.62585 10502.27478 Dolasetron 4.07813e-08 405.7291831 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 248.1038474 113.2156241 5966.679816 4278.390967 4053.145925 5315.846074 4220.178012 5781.472363 3776.067159 13588.6996 14243.14567 4.07813e-08 4.07813e-08 4.07813e-08 72.17079639 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9825.215463 6731.247975 7263.217262 5007.615915 11736.27826 6769.915127 5875.081213 4861.579315 7796.69882 1311.139277 4.07813e-08 92.07027995 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 145.4397378 4.07813e-08 4.07813e-08 4.07813e-08 118.6492327 840.8166299 12813.43227 281.8711014 2886.013931 4.07813e-08 Compound IV 2438.209423 10398.2068 154.3676825 2589.265652 109.8307543 2617.854245 3110.499572 4204.066726 6961.298557 6294.663178 6078.995834 4687.426968 5906.738149 4829.517899 4784.876364 1374.769404 3335.868596 3916.845336 163.4438492 4.07813e-08 549.2541801 115.5793544 4.07813e-08 4.07813e-08 240.1003189 4.07813e-08 262.8276686 5527.33232 4274.687873 4558.023357 3598.390223 8287.70552 6634.394161 5732.938139 1565.599747 3265.98053 364.0476037 201.3097243 723.1377964 201.5627397 824.8286202 330.3905808 4.07813e-08 113.6873108 329.543199 179.8762229 1999.67003 1530.137425 4696.820238 27703.54071 7804.456328 966.0459195 6330.632487 551.8644184 AL 8810 226.9239014 4680.317334 271.6768601 305.6847232 200.2418203 734.6586905 3831.985418 1921.369076 4103.742617 22823.49693 22298.76946 13094.17941 25442.54851 14339.57893 21366.66311 12484.66675 19632.33291 24528.63648 247.8053303 115.361767 418.8826519 230.4566899 4.07813e-08 138.5508126 4.07813e-08 23.6832365 146.4134384 11985.41086 19933.55816 22561.02344 15812.2828 23597.67326 20585.98677 20633.51746 11017.14993 21592.32606 513.000841 236.8899174 380.9985331 4.07813e-08 4.07813e-08 39.86318746 4.07813e-08 4.07813e-08 4.07813e-08 159.8579589 232.8113887 211.877638 1516.841359 3544.392485 28838.89536 572.890412 22125.80202 952.5597135 N-(2-Hydroxyethyl)iminodiacetic acid 3318.433827 2201.401159 2309.545965 1854.33159 2204.471211 2466.537615 2201.025619 2764.110702 6363.652841 1092.389628 1450.107551 1388.812849 989.4790656 1492.797201 1117.418948 1998.397289 1617.881961 1550.173746 2867.341288 4509.430823 2243.59724 1750.837251 1129.60443 2893.392399 1818.878339 3976.862743 2431.84652 1013.437969 1432.927965 1979.695701 1438.610576 1298.029437 1576.791481 1288.179128 1821.908937 1984.80828 1811.419154 2305.652968 2014.9754 1542.024999 2213.903588 1298.955783 2076.729488 4481.085578 1556.139097 4589.620235 5998.405945 2865.089629 2256.609661 2036.30855 1269.690056 2758.703541 1919.362976 2678.729738 (E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene 2179.462905 3701.060553 2277.722379 2534.758184 1790.990804 1634.286237 2210.851763 2989.989713 5905.592581 1870.039203 1992.007783 986.7049434 2547.342473 780.6643707 1364.746297 776.594993 1948.681151 736.3428415 2758.694659 3240.136835 4754.598599 2065.990208 1541.284926 1363.021814 1010.61481 2323.308506 2495.848021 800.987133 484.771224 1619.156671 730.5158868 1452.872657 405.3414476 1786.022072 1203.40133 3574.284529 2211.237657 1926.092618 3213.910559 3251.877455 1652.997874 1889.86059 1240.577179 2633.278371 1973.405976 1745.433154 3210.337436 1503.850632 3388.272714 7740.114429 1047.869234 1580.805223 1852.530121 1665.44216 Monoethyl phthalate 1963.310257 4264.171442 2754.01808 4681.545783 5069.241773 2628.552238 4239.35023 2310.999548 1310.354123 2299.184276 2282.771389 2627.254295 1883.272145 3270.462569 1477.748055 1840.210871 1356.81671 2669.082184 2631.93588 2570.836488 2585.2591 3074.169235 2524.395528 2570.094153 2132.005461 2316.291116 2750.255717 1760.467998 2766.567474 3475.237105 2129.948435 3963.789807 3332.486312 2509.277439 1820.722332 2312.011819 3071.362648 2578.270251 2531.482126 2768.36451 2066.763931 2723.044474 1690.463658 2272.605008 3207.38429 2929.600064 2654.863863 2842.84993 3082.772378 2476.715115 3443.482912 2706.971098 2940.681476 4173.100116 (-)-1-Methylpropyl 1-propenyl disulfide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10.22131169 4.07813e-08 4.07813e-08 212.6674789 4.07813e-08 5536.465069 8092.818035 7156.005685 6072.378497 7827.780158 3718.541971 3542.423714 7051.276203 3040.696384 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3928.610696 5503.448649 3174.113505 1113.001719 5140.48853 1512.76153 1519.172277 8216.584022 1551.006061 4.07813e-08 0.804726061 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 61.00060409 373.3231998 3933.010763 67.67402199 8871.207457 202.5200412 N-Benzoyl-4-methoxyanthranilate 650.2419982 1307.801162 2239.037777 2093.918997 2556.301382 2035.322702 1575.320671 1056.871292 947.7372731 41.46596751 4.07813e-08 156.4163052 148.5931083 4.07813e-08 138.2488013 4.07813e-08 4.07813e-08 4.07813e-08 2358.61486 2784.641816 4260.047178 3610.956927 5562.476773 4241.475097 3667.426206 3151.67517 3122.859668 86.66012442 179.9407976 149.4798356 22.66361864 237.3330993 146.1362201 4.07813e-08 79.11300017 4.07813e-08 1862.731998 3213.592072 3477.062447 2835.698134 4287.829815 4980.079163 4349.676868 3156.420385 4268.501078 2836.207836 2312.388554 2997.747283 2217.473916 1937.228363 374.1037506 2823.125472 153.8095222 1971.662434 Ansatrienin A 4.07813e-08 15146.35179 4.07813e-08 4.07813e-08 456.1817275 958.7650719 4271.830037 856.8587361 825.3098286 72373.50788 49045.94888 55106.73482 72993.37861 37996.29092 59470.75376 39793.52777 21772.59669 48634.41831 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 958.9485367 4.07813e-08 4.07813e-08 351.0315458 4.07813e-08 74340.18055 63932.37353 45751.25815 67419.53516 72615.9066 71513.10764 97550.05906 34151.90891 37308.09362 349.2354316 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 538.1876033 2792.918536 13399.70762 94361.96022 4910.600496 61493.37078 2039.189884 4-Chrysenecarboxylate 1430.307258 1028.051386 1656.271291 2675.905264 2210.911331 1203.572452 997.2533445 483.9012527 543.1438337 2037.120964 2232.011253 2632.494106 1434.331437 2614.144719 2073.344594 2149.38803 1174.057476 1290.323895 1792.088581 1134.804963 857.6239155 1535.051881 1598.125369 1798.477182 1625.19008 1985.831969 2021.049425 1447.104182 2086.301316 2046.06223 1510.339797 2254.192814 2891.904605 1665.205362 1594.551746 2139.289492 1828.112697 1146.728976 1106.959253 1191.474808 1358.563903 2048.967399 1568.191282 2173.361834 1394.228449 7271.34927 6549.728335 2950.351502 3357.7407 2524.870313 2281.021235 1490.282343 4025.547111 5689.188158 6-{4-[3-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-6-(4-hydroxy-3-methylbut-2-en-1-yl)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 1240.054939 3643.951444 4861.503839 2368.2014 3202.977927 8398.631449 3598.609905 6164.190275 8694.752694 2397.553422 1407.199073 3242.701674 3143.966238 4.07813e-08 3736.524833 1734.521711 786.8275645 1427.56897 2115.300241 2115.581988 2658.003882 4.07813e-08 3867.956036 5803.538628 1041.302627 4.07813e-08 1333.722738 3697.554497 2666.355965 4.07813e-08 3203.332806 4.07813e-08 3382.889964 3614.830347 2457.749511 4.07813e-08 335.5447863 2640.053512 1796.484781 4637.033699 1505.883693 1153.413247 4930.910309 4.07813e-08 4.07813e-08 12707.70532 5459.346636 4806.220862 2634.771365 2714.047878 3495.28853 4073.410876 1301.101304 5212.390131 Natamycin 353.3470321 39.64793328 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18715.96599 12313.0691 11095.10826 15922.29482 157.6294193 28398.49067 14605.58425 5087.965489 4761.664372 74.46541615 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35363.38425 10927.14796 546.9012292 10556.10422 1119.430093 3204.519226 32655.26896 10243.66108 7693.422555 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 276.0179454 4.07813e-08 4.07813e-08 10068.66108 6570.275119 4.07813e-08 9188.043126 4.07813e-08 (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid 22929.83808 17105.17503 16783.81595 19630.69724 15964.06218 12091.41488 13621.64588 13461.88417 8481.71782 2475.077807 2895.360617 2055.551612 2082.306771 3215.115813 2894.595067 3003.46291 2906.17266 2830.360597 14366.50495 11001.89842 13636.81296 18742.86662 13760.55074 1097.870055 15352.23257 17479.43428 4375.56074 2563.724464 3102.036504 4662.669207 4022.161015 4098.378696 5200.398835 2686.07219 2764.395149 2817.205268 19979.4291 13636.58043 15585.91546 5396.308621 16142.01785 17220.08234 1867.693772 16510.68476 15864.95124 1433.357622 3487.476971 9016.148422 15276.04073 10742.57516 3602.131267 8364.132822 2540.248436 9701.86141 CAY10570 10616.31977 18448.09796 5990.343565 7949.642686 5970.725786 6675.60324 11374.84064 14995.52137 25454.9054 35728.21154 29064.6737 29287.26376 34809.16089 22680.76938 38697.51873 25373.37077 29712.81903 24268.83305 2202.852689 2122.9008 2303.874078 637.5629707 1906.775904 1092.227223 2342.192057 1783.070147 2056.135513 31909.21478 32707.35534 24383.81029 34835.55057 25847.03114 31397.29096 35973.59018 21015.24631 32477.87753 4310.31369 2680.240898 4215.084898 1685.290554 929.1086042 1945.702018 1520.102543 2396.58418 2896.606208 1116.545206 2417.281391 1909.914508 7492.567152 17189.78735 39017.7404 4834.130221 28488.9099 2372.199379 Aprindine 2377.717453 4494.055157 1351.406462 1878.462445 2378.271227 1980.083658 1779.906535 1622.27717 4057.330143 7949.755693 9157.838264 9719.752939 9939.303039 4820.308692 12771.84798 27750.05226 9667.262729 10801.28656 3467.809162 2878.824548 2593.472125 2567.189409 1791.248311 2311.069079 2556.856457 3507.423872 3790.02684 7794.645203 9390.89109 12858.78644 13205.01543 10361.39022 12196.58 11888.99025 14046.48368 11736.1251 3166.170107 756.2930329 1924.399676 2512.606673 1513.809819 1918.85825 2862.320219 2525.992737 2384.886311 2003.174599 2081.685743 1775.729542 2202.182536 2721.722938 8185.351399 2011.605644 11265.68055 1945.647903 24-methylene-cholesterol sulfate 6908.539432 6563.012309 10570.43662 8142.605603 10234.98215 8525.15905 5680.366484 11128.47357 17317.66965 738.4354464 1000.787728 398.0596046 565.5779882 197.9162469 346.4485492 1098.193529 830.1798892 664.814746 4122.39591 3113.665609 6266.363437 1664.439544 516.2427761 2503.500407 5680.602209 3433.221398 4757.985253 141.49051 331.3623683 848.6306227 282.8421172 281.9435575 378.8820478 709.272632 228.0362404 750.1837971 11841.71283 3640.682481 7903.344948 9639.665584 2240.555399 1185.623019 2851.321439 3326.071511 2073.227651 5316.393557 6215.12416 8716.762974 4900.308706 7779.167883 274.3621169 5822.126604 135.867195 2568.296675 Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- 778.2347377 578.7680946 1313.297508 402.2768546 966.2932502 1914.185664 1171.17252 1473.771265 505.9282668 4.07813e-08 4.07813e-08 4.07813e-08 77.67777758 14.32737798 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3573.551962 3767.700706 2540.169262 2872.263575 3142.543047 4048.895473 3086.039936 3843.528925 3812.260027 4.07813e-08 4.07813e-08 176.3926022 118.6645009 4.07813e-08 4.07813e-08 70.6423513 84.37115763 4.07813e-08 2622.289074 2151.545934 1403.316184 3142.219781 4079.775249 2985.1355 3205.745336 4053.534188 5356.128804 3438.165019 1548.855435 2360.645897 1653.072989 1419.769312 4.07813e-08 1979.267325 23.1580172 3029.56637 20-hydroxyecdysone 22-phosphate 1513.242732 3759.674177 489.134181 839.8735372 4.07813e-08 178.9995103 835.4802868 4.07813e-08 1597.501654 13825.75835 18047.74959 14107.09835 34431.42467 28330.09211 11286.31969 14187.88352 28712.69878 23738.57284 361.9038348 4.07813e-08 227.1481324 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35983.01307 20366.12945 46122.56228 51087.29935 27716.29095 31724.51793 20106.09737 16430.57692 52225.67358 952.2157977 4.07813e-08 4.07813e-08 476.0448378 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6626.724779 627.7849076 2783.663681 9472.437701 8235.016818 1154.16297 115717.9801 5873.258337 Avenanthramide A2 2527.814333 2256.712065 1591.013259 1588.343938 2625.533538 3127.437827 2706.009495 3363.530017 3113.718041 6874.054723 2274.346782 3731.564441 9550.646928 2505.288511 1944.969901 495.6595471 11534.98847 5150.276278 1926.651696 1596.880332 1792.398759 2360.08981 2531.3943 1810.066912 1334.979944 1881.35587 1831.139031 1597.177666 4811.867053 2961.192555 5730.327071 6396.115775 7373.716765 11880.05945 3658.147435 5774.708589 2806.66737 1836.172385 1795.523253 1966.393294 1380.291373 2456.964259 1343.799006 1658.139791 1505.811621 2629.30867 2342.750831 1920.659546 2388.578744 1765.893572 12620.06034 2903.748135 6223.555897 2300.985552 PKHdiA-PS 4.07813e-08 1141.622465 237.8066752 1046.210878 222.7072596 450.6922086 618.1730466 4.07813e-08 4.07813e-08 8024.416074 8372.618095 13939.54199 8034.974624 15205.23825 4298.583236 10268.58463 32115.30076 17727.04849 448.1051396 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 265.1158888 4.07813e-08 4.07813e-08 17411.12175 16407.22583 17039.90084 5537.42213 23000.66082 8431.562999 5699.366816 14318.5915 36381.91702 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.189738064 157.3332545 4.07813e-08 4.07813e-08 247.2960361 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9237.182868 273.1831214 4962.282775 4.07813e-08 Melicopine 386.0543656 980.2118567 1676.731244 2356.18589 1904.312036 1186.58501 1306.989357 415.6367113 4.07813e-08 4.07813e-08 446.4312698 649.5721692 4.07813e-08 462.2198175 471.86119 773.5244936 4.07813e-08 4.07813e-08 1337.54631 1939.880106 1771.438307 1459.949706 2723.214316 1317.047535 651.9407249 2010.571775 2333.467223 4.07813e-08 4.07813e-08 350.2835536 368.7878812 3.576604396 2523.086686 4.07813e-08 1728.450982 744.9087935 1400.598007 797.18569 1580.916858 509.7247543 1227.14317 1800.134695 983.0505358 1559.619847 1887.502201 2258.2811 1934.32309 1754.724277 1327.235736 1782.938872 492.3728733 1044.860446 590.1409601 2117.501797 Nifedipine 3060.328183 2242.864566 1817.094136 3535.326993 4277.879102 2401.089858 2261.5027 2769.430776 1607.166931 886.7070032 1004.610516 240.8996652 1013.001533 497.596294 391.1862783 586.3613126 599.1020064 2550.774097 1711.521645 2439.400033 2111.532306 4747.664551 3227.083589 1783.463661 2213.357849 2264.138725 1672.50657 33.31733779 4.07813e-08 1915.386566 861.9350239 1831.037257 186.0702097 423.1075834 3.934834817 1470.683247 2574.672337 756.8740422 1819.986605 2071.677309 2945.063824 2419.402734 1630.281974 1339.229865 2267.842541 2177.138056 1324.869844 1603.541032 2046.915219 2083.956178 1336.957158 2762.826336 3089.32241 1747.281098 Oxatomide 1783.435775 1918.578182 8.579043644 664.7760601 563.8899828 1557.22022 13352.12818 1366.81774 3838.519191 3347.200409 1978.864097 736.3754248 1347.066801 2586.243515 93010.60075 8621.775533 3695.129359 1616.824146 576.9586206 188.518011 647.0590377 110.8823937 248.411069 30.75222708 628.7279234 135.7230567 553.9139636 1941.723856 3566.282614 2248.468988 10556.31137 2280.573068 34367.37798 6189.885627 5844.335544 10081.80083 50.27940261 577.7922129 1104.061413 349.1453711 295.5803906 28.6839108 148.2025916 1045.792563 202.1098835 203.4701622 945.2538628 761.2587714 1307.041267 4594.698186 31917.35758 640.4676148 2850.789938 532.9328843 DUARTIN, DIMETHYL ETHER 718.368541 245.2917154 506.3150637 700.5024868 678.3869972 1358.060433 2118.792418 2362.714064 461.0818854 238.1584753 878.2110541 341.1182437 75.94063389 53.97009396 4.07813e-08 4.07813e-08 1814.990462 4.07813e-08 4733.266306 3045.763838 4068.928598 3247.244754 2692.806634 4087.019628 3622.430895 5278.885366 5695.545901 53.0532899 981.3623141 359.9261686 680.2098555 682.6899449 114.9610793 4.07813e-08 438.0417457 4.07813e-08 3204.764038 3322.188797 3439.871561 2705.093883 3706.267846 5850.365322 2662.531792 6158.030946 5879.51456 3390.629035 2076.101621 2562.6055 2762.14273 2315.827444 516.0163157 2416.209886 1539.704444 2808.136321 N1-Acetylspermine 4901.889173 5015.785126 6874.682708 6917.07614 7223.794851 5965.633717 3837.879494 4364.447861 3498.655516 1430.865968 1525.782541 1706.556391 677.8359415 685.2643279 673.0598704 1300.275763 793.3407201 1614.936269 6948.213155 4271.497867 5416.874584 5057.481016 6154.139964 6153.236909 4884.379898 6828.092414 4844.32257 714.8153507 1511.964434 1183.478111 923.7363842 371.0745718 889.0688174 1678.497833 1198.744697 1601.372031 3793.269037 4871.350462 5033.136782 4638.048461 7272.770303 5466.470181 5140.009909 6220.468732 8106.594075 4225.37204 2776.067604 2953.643134 3877.268456 3392.899398 359.8156011 5204.460034 1180.73215 6356.955949 Myricetin 3-(2'',3''-digalloylrhamnoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70273.89936 83620.55987 52083.92277 72179.26957 32528.23211 210021.6007 132432.9952 57303.24498 49305.83507 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36415.48146 64625.48948 22989.50957 111460.9707 25986.16238 75902.30883 123858.3893 50773.50543 76137.27875 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1329.620215 36550.72735 4.07813e-08 14523.38389 4.07813e-08 resorcinol sulfoxide 1642.989639 288.0721181 3060.362272 2680.185696 4.07813e-08 1737.761222 1988.084531 1236.233052 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.197546618 4.07813e-08 8037.48614 4563.057268 5248.7499 5053.911461 3479.185681 5680.440108 3910.960046 10345.79155 9908.386806 0.11313431 4.07813e-08 0.994758975 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.352602326 0.14218944 5049.191017 2822.293281 5000.584466 3323.156124 5738.883016 3634.479568 4973.80208 11375.21858 11668.90274 2156.260781 2159.112529 3119.184991 5294.147525 1858.340076 4.07813e-08 3782.568663 0.265177373 2854.930042 Lyciumoside III 1127.042684 691.1755274 4181.821176 4.07813e-08 792.1735218 1817.537188 1803.428623 1496.83935 521.2570721 263.094875 4.07813e-08 944.0410481 523.8212232 1265.663666 532.0937359 3023.775766 4.07813e-08 2122.529221 4477.755371 5157.59298 4803.125848 4298.415462 5967.369785 4900.208014 4713.931838 5888.666381 3790.267175 477.7731976 4.07813e-08 2468.790947 496.4838163 983.3597166 1888.127089 4.07813e-08 0.388658062 2300.591396 3509.466066 5012.280936 2433.482951 4051.630212 6716.653507 5118.254693 5112.762176 5245.91155 7735.672045 5660.887946 2754.066351 3419.074264 1664.727862 1626.922815 410.379046 4706.455669 1705.974459 2903.053553 5b-Cholestane-3a,7a,12a,23S,25-pentol 22793.12033 28753.13618 29797.0775 38013.44812 47944.08563 28273.92262 22094.56315 9094.241677 9574.846769 5797.007516 11799.95238 12747.63645 6865.277837 11959.47306 14227.5752 10035.70362 3359.127322 3138.20052 28121.1949 30405.05014 29525.74418 30425.29763 37986.79875 30087.73185 32832.38915 33771.08403 37938.37787 3463.503249 7627.650338 16155.2243 5450.974842 12103.37456 16828.58133 6596.215247 21021.92037 11771.05744 22438.44131 25811.62615 27784.1604 34598.4266 33708.07656 34032.46742 26692.33545 34767.02267 30727.71765 22571.83206 18079.44273 27041.48056 22184.45077 18266.20134 8917.585503 22122.83211 7225.459919 23706.84251 Methyl 3b-hydroxy-13(18)-oleanen-28-oate 4561.284852 1827.240736 512.9384278 1510.422436 5268.152748 2144.724563 3640.334854 1347.053987 2342.874024 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22529.58004 36356.22898 10678.34947 13686.48324 13868.5048 15274.64165 13100.75884 2135.680723 1536.796499 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7384.698335 15459.42487 8063.010595 13039.448 15596.65017 14153.78858 12339.34734 1475.59439 6044.564994 14537.27898 6485.608103 9400.280779 6734.248686 7402.518218 4.07813e-08 10101.8359 4.07813e-08 2172.709622 Resiniferatoxin 787.0851883 639.8735331 4.07813e-08 4.07813e-08 4.07813e-08 220.0690991 4.07813e-08 4.07813e-08 4.07813e-08 9073.410378 9450.758095 31206.44301 12411.48815 38938.66413 40722.44609 28252.08404 49459.81079 26183.67505 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64.03953691 4.07813e-08 4.07813e-08 36290.18144 18817.48919 38439.05552 44726.51229 125280.6641 33735.28337 22403.15845 34959.70851 20621.14574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 558.8764081 4.07813e-08 71.71228413 4.07813e-08 4.07813e-08 4.07813e-08 1573.467739 225.8954623 1223.716219 4.07813e-08 27767.27761 4.07813e-08 2840.371085 268.2693291 Asparenyol 132.3723438 151.6354269 314.9459329 394.4785089 529.1369163 802.4286601 215.9286536 129.9734034 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 706.9843694 922.7355882 616.9008056 390.5810434 1366.395678 1211.771576 412.3166947 1058.398096 923.9322723 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 194.2672367 226.403923 666.3078596 941.466265 940.0886083 500.9520937 869.2455486 1072.09515 995.3506287 795.2861852 233.8447278 367.8871407 89.5031349 180.2764176 4.07813e-08 126.2927083 4.07813e-08 570.8821214 Gluconasturtiin 4.07813e-08 1396.210569 4.07813e-08 4.07813e-08 179.7098339 464.7257058 154.1327227 158.9221677 1855.319698 675.3997713 1089.738868 1383.845296 1362.286504 5064.550235 1274.609458 745.345169 2031.57773 9681.094904 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 137.5566208 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 784.3436971 2153.463021 5534.984736 4503.190917 6382.037046 1784.022141 1036.032838 534.3697764 11131.75965 170.5137986 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 156.4629936 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 963.9914562 131.3484248 1714.749384 1923.999182 7728.559093 512.926345 3018.913292 1294.561043 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid 1766.385731 1312.420231 3338.508985 1384.252934 2786.596061 3550.577763 255.2082754 1497.432799 2486.834009 84.36388267 454.1077536 163.6925548 71.27952226 1.138561072 279.5458008 143.3053509 944.3715554 171.2267125 1705.015249 8717.828407 1978.259071 3928.2619 3789.871757 4439.249257 1098.121347 1990.15285 5337.865173 1.299033569 203.4031538 389.3728758 2.978092048 2010.158623 168.910743 4.07813e-08 221.2495193 504.2227994 1874.212566 12612.77377 3283.144675 9482.011357 3076.973953 3301.918914 3556.841378 1733.840031 2355.839838 3817.686846 3134.606594 787.2486121 995.8340449 1172.809861 84.48321697 170.6230378 341.8651921 2228.452235 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid 4.07813e-08 203.2311976 185.2495915 214.5630896 159.1395883 385.1527779 198.1349203 317.4474174 239.4350914 4.07813e-08 4.07813e-08 56.51028746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 200.9986456 375.2576333 1098.530922 842.0228803 366.014153 594.4717602 571.697734 548.8655154 1065.247229 2751.594532 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 97.92247535 867.4450159 884.2562112 1549.39871 829.5941341 702.9425844 498.0966542 1055.918714 1083.850763 2037.159882 682.1170937 667.0442786 176.3256151 278.4329924 4.07813e-08 538.1305566 4.07813e-08 1229.249215 Licoricesaponin B2 4.07813e-08 4.07813e-08 4.07813e-08 242.5431704 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1800.786704 5786.038056 11137.95288 2708.886479 733.0672135 41131.08958 31328.91825 8560.168323 8361.504942 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7963.442291 6086.616571 6112.062852 37106.77053 4.07813e-08 10770.88232 17210.93838 25854.78023 44135.68598 4.07813e-08 4.07813e-08 4.07813e-08 123.7783576 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 659.5499683 4.07813e-08 4.07813e-08 435.3541179 2644.295239 4.07813e-08 14053.09287 341.5115822 PS(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 212.5746044 1224.310837 4.07813e-08 4.07813e-08 4.07813e-08 6889.294457 28041.72372 17435.4534 10000.15206 325.5803011 5973.272534 6162.414415 4.07813e-08 3418.499325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76694.28852 19939.92449 10977.79069 58132.12861 36141.74611 35590.68932 487.2839727 3321.668295 18.35334598 4.07813e-08 4.07813e-08 4.07813e-08 311.7175099 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21877.03368 4.07813e-08 4.07813e-08 4.07813e-08 Nefopam N-oxide 691.9022733 1294.870992 2683.860478 4978.473779 3786.881152 1917.513825 1028.874752 337.0577016 4.07813e-08 156.1515794 818.0444313 1769.287422 64.12550654 1781.706892 332.5138366 1707.430543 4.07813e-08 4.07813e-08 663.3103349 786.6583009 676.7594943 1043.762752 1147.752333 767.140684 640.0680479 1479.877121 1069.256035 4.07813e-08 247.1949617 626.53754 214.7990299 127.3746653 1228.243937 286.3280184 643.9924185 237.1728141 809.7925352 650.8817412 797.1375633 902.617029 704.9628927 673.0032679 924.2349953 919.6584479 956.9650117 180.803305 207.0342704 249.6659005 206.8175416 400.1175069 4.07813e-08 475.9809099 90.2977116 353.2560044 (S)-Edulinine 131.5529803 4.07813e-08 169.2131487 198.6113455 4.07813e-08 317.0909734 507.8318817 238.2771933 126.8208682 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1582.605743 1674.579136 847.4583472 1517.060521 2112.950654 2477.479201 1301.657501 1171.008936 908.6590619 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 751.7923576 1156.525304 1014.961756 1000.098052 927.7316623 1930.290896 2232.706265 1190.770815 1681.035279 1197.263075 593.4608311 490.3514835 175.0656335 420.9764754 4.07813e-08 818.0103087 4.07813e-08 855.669881 2-Methyl-4-phenylbutyraldehyde 3961.402372 3680.245052 3905.25657 4069.024755 4116.047923 4310.154109 4909.065265 3753.306601 3905.069778 1715.069644 1901.557593 828.5200388 1736.828245 677.7690728 1149.129872 1754.804841 944.6240943 1447.369557 4648.037088 3798.468091 3578.93843 4102.797243 3733.929984 4176.866726 3997.786362 4553.594914 4800.862949 443.1935198 1514.209094 1761.144932 1693.768719 2144.310048 2003.066848 1332.810192 930.8727812 2048.333281 4322.588353 3755.197625 3822.798064 3200.580276 3906.111271 4361.57832 3610.278783 4558.898988 4326.622962 4073.178518 4175.980594 4341.859943 4013.266849 3435.47929 1492.136593 4687.384626 2780.238316 5158.600331 PA(19:0/0:0) 4171.600551 2073.10678 6487.361373 6407.653405 10530.35384 7215.834841 5437.658936 2533.441293 1370.755109 147.3911776 13.35465451 120.9552115 5.076568221 91.41274695 49.13928896 183.2945157 4.745645769 239.3854872 8407.085019 8655.632612 7784.894935 8440.71838 10106.61094 7236.478523 9214.387229 8159.846606 9177.833295 108.3554784 0.003044807 21.7380362 14.25516594 42.38014567 25.80071982 5.27039136 5.978402411 7.715384063 4836.884497 6465.404293 5406.357248 7514.493596 9587.053141 9171.566671 9118.563229 7363.374966 9895.760814 8176.467762 5774.208568 5434.749075 3714.219508 3421.53945 549.4851408 4705.474544 20.7354671 4049.70221 PG(16:0/0:0) 4378.775969 6826.890968 4517.341535 4701.032537 9307.171989 4806.535567 6208.302076 1537.160736 3934.628861 236.5833262 659.5465971 112.8546352 482.768907 12.35135597 73.68626902 4.07813e-08 1065.131827 548.2840414 11207.90455 21522.17617 9066.436219 7570.060625 14078.99015 9150.921101 11241.68349 18504.71594 11644.36959 3855.441267 486.2768977 994.1708601 414.3423506 211.083274 2.175222122 2802.376135 913.2071638 1415.199902 5828.065146 8357.016011 3241.930175 9556.112156 8460.936844 13941.99903 10475.91173 17716.14596 10904.9013 8388.25657 10033.6161 4322.773076 3672.744515 6480.173216 32.17774219 3828.019858 3575.913067 5450.555078 Meptazinol 4.07813e-08 297.792511 1146.70737 179.9022819 81.50640777 443.2455966 1408.4203440000001 170.7129851 4.07813e-08 4.07813e-08 4.07813e-08 105.7728742 4.07813e-08 4.07813e-08 141.3534515 67.29157961 4.07813e-08 1005.570086 539.5570949 374.3374963 2565.038991 953.0438437 1714.364462 1376.18801 1075.556093 1026.047477 10127.30261 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.073558337 4.07813e-08 4.07813e-08 1.096904543 4.07813e-08 462.4859341 1479.466402 2874.421879 1650.752415 397.230715 2491.548767 1053.703786 971.6853096 12238.98601 6322.21416 1060.368333 1178.760357 1326.347514 66.68228814 4.07813e-08 791.8392801 4.07813e-08 732.1661733 Trichodermin 4526.04899 2136.664751 2289.167487 2863.117262 2450.912266 5186.789146 6796.443586 4168.970224 4256.856528 58.36858751 80.18961913 72.65913996 178.7999307 27.73386951 84.3663855 19.75244571 31.83753584 48.16640599 2772.7000630000002 3906.438597 1574.702661 2745.602762 3835.464465 4498.13701 3578.53221 2064.529473 3199.661716 4.07813e-08 13.41312105 4.07813e-08 4.07813e-08 58.1602918 4.07813e-08 17.35675339 21.23514517 4.07813e-08 5476.884722 2882.790886 2811.31202 2107.099397 2332.15932 3366.597036 4329.228608 2860.957908 2082.835721 4573.612077 5024.968983 7467.811988 3106.528354 2009.981415 151.1739938 3535.134399 26.05056452 6247.385539 3alpha,7alpha,11alpha-Trihydroxy-12-oxo-5beta-cholan-24-oic Acid 13074.90888 14577.94163 25985.16242 13456.46519 20530.66507 16721.74753 14991.66892 15615.66227 25243.85702 1325.122433 1179.079561 6059.962639 1511.56136 7341.119753 5654.446601 690.6978821 4.07813e-08 12955.01456 25483.00379 25999.28112 28818.78304 20561.48856 25000.18541 17924.06491 20984.10775 16458.28357 23503.44029 731.8970185 3527.261743 1076.871023 1551.503009 2700.266094 1169.538614 2191.722853 491.2568316 1121.170253 16124.80616 18608.40372 25305.90954 39452.72688 19192.70641 21819.52523 13684.06257 14942.36937 22875.21415 56637.63071 25705.23465 21454.91186 23833.97211 14914.32511 3519.573628 20669.49415 1006.499516 19087.32336 Gelsemine 1432.052751 474.607591 2531.843974 2481.706533 2755.614793 3529.117885 3027.073299 2339.75674 214.7025886 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1722.076862 3525.919054 640.5116231 941.6380357 2359.954729 3624.464847 2471.195654 330.8911496 845.3007724 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1205.830182 1661.481571 959.2530179 1880.759111 3207.52224 1663.961311 2800.998859 665.8287812 0.506824261 4579.483929 759.4775549 3147.694028 1394.047187 298.8534993 4.07813e-08 1964.445013 4.07813e-08 4934.557997 P-Nitrophenyl stearate 1006.367718 1169.748778 1102.064768 5801.336578 6057.012834 370.3208172 416.2716331 500.881965 6487.792855 2223.975047 5227.016324 13679.85081 1899.592253 33630.88679 3996.308682 12396.06121 726.6246483 17688.01722 404.7089031 242.1860314 601.9327958 157.290436 60.93857287 13.51342312 70.67439267 40.14351454 49.99186839 4.07813e-08 432.441359 1955.604188 5570.800832 1966.323946 879.1693695 32.41368346 4.07813e-08 3257.294251 832.4260833 401.7282357 223.9162869 17.64425896 607.7373499 285.5540521 130.608654 47.76929577 17.10188268 408.1131742 22488.0091 415.035632 2070.267875 374.5650782 3246.966909 873.394265 88.57436988 714.7024212 (1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid 1754.191089 976.6991912 1908.158144 5901.233526 2042.92859 4272.600052 2800.356116 590.0250424 2087.592696 4.07813e-08 101.5486081 247.5175877 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 281.945737 4.07813e-08 3684.125239 3115.428718 3033.089311 6996.24905 9663.887945 6264.185683 13064.44868 2597.661485 7101.252968 4.07813e-08 4.07813e-08 751.0039055 285.812793 4.07813e-08 58.01966057 43.23043317 4.07813e-08 32.82486749 2325.64063 2594.482791 3029.155006 5239.892765 9019.979246 6279.087049 5433.225486 3074.240462 5460.275005 6174.631003 3015.670075 3486.499165 2336.078255 2031.802442 321.2242997 2622.11264 510.7966266 2036.212441 Pleurostyline 11333.7159 5512.357666 3642.466207 6485.515153 11958.35579 450.8981306 545.8262682 3020.152365 830.9897841 4271.766066 3940.420683 2815.897994 4698.34915 5670.257443 4.07813e-08 2449.462351 438.1098389 569.4397225 8219.906306 1314.073624 2121.203767 3527.237305 12930.3464 5734.464264 1462.269093 6003.903556 650.3096948 103.391479 2707.085975 4091.212073 450.6990474 3801.866652 114.7632328 454.3495574 825.6194392 1330.483 4602.53093 5232.746994 2462.164906 1594.306845 6762.124369 7871.787708 7928.437034 5421.972288 18941.65791 132.8440921 1775.3594 351.1181241 766.0734972 838.9791278 4.07813e-08 6359.874727 2453.394257 5921.797698 Farnesyl Alcohol Azide 1680.129471 1533.626253 1490.930225 1559.291978 1654.26529 1373.925038 1581.264486 1427.117837 797.5112519 847.4175721 1109.500967 1048.820817 905.3155239 1203.212655 833.8330851 1549.38193 1396.505633 1088.945358 1399.774139 768.5198048 761.0974346 856.1222333 1126.165982 1062.342337 685.9720832 1104.231217 1013.224123 1342.610149 1349.88869 1540.729558 1243.766205 1132.242434 868.101203 740.4447717 3057.167504 1083.035344 1410.652736 1300.657297 1116.380888 829.852121 1076.666584 1008.190442 1230.278088 1313.494491 1104.78362 1273.244503 1204.553183 824.2239239 942.0399157 808.5767763 1029.276516 892.8452352 1286.482399 1472.945749 20-Hydroxy-E4-neuroprostane 3982.144262 3616.847041 2350.362648 2697.633866 2974.99054 4533.81042 4030.468789 2214.865363 3135.357789 219.5272373 375.2664804 107.3880842 515.1135659 498.3855053 457.7242327 130.1084685 528.0196858 122.7766306 7646.349404 7269.89754 5364.922198 6234.523458 7813.506301 6665.16715 5821.015276 5589.865054 5004.104464 315.2958049 435.2515827 86.07747697 201.5310194 1087.808963 4.07813e-08 83.12683836 4.07813e-08 4.07813e-08 5469.75186 6408.236178 6515.835775 5369.253983 7199.998482 6090.122414 5384.238796 5620.203701 5536.710014 5622.737169 5241.816067 7385.727848 3738.883618 3506.069812 1091.361791 5470.386387 522.7681106 4858.523299 23-nor-22-oxo-chol-5-en-3beta-ol 958.5966749 187.269581 1394.742444 4.07813e-08 4.07813e-08 1728.579482 4.07813e-08 1911.721532 1227.155001 891.6478474 89.60172039 20001.51402 523.119106 23284.60313 21014.47573 5354.651185 22281.25783 14698.30449 792.2010739 198.018075 789.1888974 204.0807391 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9287.265427 11322.12992 612.2453144 7608.374527 2281.987311 445.0049817 13061.422 14054.63018 2500.981958 2087.235588 4.07813e-08 2917.998069 4.07813e-08 4.07813e-08 110.3517296 4.07813e-08 4.07813e-08 4.07813e-08 2281.508698 6585.719645 2561.414244 3407.974892 398.3150085 3160.141991 3337.252345 680.4617097 160.5161123 FTY720 Phosphate 4052.277792 2978.323879 3481.628075 3165.94935 3137.857675 4066.528716 5001.271637 5701.567823 3988.13437 2801.253112 2177.308252 45.70206554 3208.723935 456.672657 1482.263803 208.375928 4.07813e-08 1752.237318 11863.84398 13010.9624 10391.79833 10497.63615 9770.816217 7633.266699 7957.584904 8412.37916 5632.352875 1987.940918 2705.174114 1453.965725 2868.410779 2846.644044 2895.088079 1710.890809 948.1967406 353.9475102 8598.298536 9483.648011 9198.294442 8128.398433 9612.970786 8803.907079 7659.175171 7935.005495 8902.578427 9981.366097 4006.681357 5141.370849 4929.113989 5621.813926 6363.924017 6132.066716 1868.168858 6044.647177 N-Desmethylmibefradil 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17010.96492 13764.84067 9836.768323 12965.11763 9625.614383 7887.021208 8737.456665 11319.8315 20415.58944 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9509.080091 10168.68657 13050.74457 5220.036669 14728.09505 12922.67966 8471.903077 8193.913038 9585.314723 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 106.1827798 4.07813e-08 4.07813e-08 4.07813e-08 8582.703791 4.07813e-08 22421.96691 4.07813e-08 Isoeugenyl benzyl ether 1355.75 1197.325159 1923.661618 137.6830108 420.1332933 1928.858567 201.7755162 2701.385679 1531.933156 50.72226717 4.07813e-08 207.2367556 4.07813e-08 529.1972442 887.3095291 4.07813e-08 396.4721581 714.6631113 1356.64445 909.4894165 2040.40658 2108.592712 58.17696617 4.07813e-08 127.4992664 4.07813e-08 4.07813e-08 120.4028408 122.2088235 4.07813e-08 129.1739921 64.70118541 4.07813e-08 561.4759971 76.99066666 4.07813e-08 1388.186049 388.8692553 2079.558771 1534.388993 745.5580486 658.1040348 120.5640745 4.07813e-08 49.10741144 4141.542375 6430.544516 1523.230814 1841.942718 755.138492 135.82591 2677.473985 4.07813e-08 618.4426719 Ripazepam 1186.309623 680.6779017 260.7901543 140.1960081 4.07813e-08 1026.548206 147.8416139 1387.232093 707.4371491 876.4636204 920.7795443 1661.709778 2731.488857 3563.214337 810.0934021 1647.291145 4.07813e-08 1349.867607 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2765.794363 5944.385942 847.9294113 2051.531469 3735.134344 1653.525119 2785.085259 1777.590227 1027.977629 4.07813e-08 4.07813e-08 4.07813e-08 56.93339118 60.00396308 66.77677827 4.07813e-08 4.07813e-08 99.64106344 4.07813e-08 1318.948097 820.4641042 553.1464801 789.0621621 1739.361688 1865.636959 2754.130256 672.3470797 3a,6b,7b-Trihydroxy-5b-cholanoic acid 1477.950052 2509.845965 29.20892489 4.07813e-08 4.07813e-08 4149.881354 531.1477254 2800.562099 2422.942043 22764.07765 2558.157215 115145.8198 23572.76829 173938.9618 117281.5723 65213.77422 117697.5643 149117.1119 21.85565037 12.34457116 5.579178289 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50175.29129 59049.15259 4062.277951 52511.79256 19263.68289 6934.846288 39335.98686 98514.09498 12428.50831 4.07813e-08 5.595930006 4.07813e-08 4.07813e-08 9.584065466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 486.622944 19354.60023 13167.56173 15497.78013 2558.027064 48759.86579 5814.664848 7739.934885 3831.465715 6,7-dihydro-12-epi-LTB4 16742.55329 13674.12117 15429.23851 13611.69519 15857.18878 19145.20443 19794.17738 12800.72334 14400.37962 6688.717035 21936.34921 8592.569652 6655.328748 19080.08401 9253.294648 10146.79185 36000.75259 6258.081324 23369.85318 19721.0014 17573.5154 21952.26101 22303.95193 23404.05783 16441.70822 19815.2616 60871.12977 3512.616325 7301.162472 39063.7826 13484.08765 59644.42029 7245.574328 29429.11988 4893.143777 3830.661164 22372.09359 23112.34963 17928.5958 16448.2833 19564.47084 22319.21152 23629.90751 20496.89416 54060.11616 14850.57356 11512.6684 18349.14179 8406.276947 7899.723483 6784.813668 19843.3889 10988.68266 13829.79189 Pantetheine 3232.029356 4.07813e-08 3573.752131 3646.738467 5229.243505 2706.387996 1172.450347 1277.597283 2542.023923 11939.35767 18921.04328 4817.962701 17740.1189 3159.156365 8397.526812 1363.204314 5113.931322 6464.931744 8807.356593 11961.5215 7667.699619 10286.81156 10146.84925 10569.30245 9846.524512 14293.28665 9094.408594 3570.341158 14944.91633 5240.774492 12911.9551 14250.79785 11152.06985 8115.770795 4888.399427 7002.030897 3959.302896 6927.949096 5734.663328 8350.822137 8182.211293 9034.510562 7756.609742 9752.201378 19653.63364 2471.046407 2419.215155 4585.337065 2986.123558 372.9285512 10149.52419 2583.711092 21766.53317 4977.4886 3-cis-Hydroxyglipizide 328729.1908 316723.7368 401504.7384 373079.0043 213235.9638 279084.5964 391599.2569 515387.8676 382110.6096 71363.78938 103512.5289 66155.59277 61513.93148 51315.98866 77958.61731 57525.91245 58618.72795 18464.91373 101647.2152 58996.17601 81337.35152 90583.52827 39473.49709 69126.47997 96741.54738 43833.78715 80436.21429 115797.2237 33412.42309 88205.77604 87406.84002 70186.57033 67604.92319 70472.17964 92188.78393 56277.26986 182179.1783 167443.6035 185771.1285 99076.51467 116141.9669 40531.02453 42766.13553 75876.9514 35637.8555 68637.32043 62991.97581 185488.499 142736.7671 175634.0758 45931.98363 157276.5198 127729.6162 212391.6159 cis-3-Hexenyl 2-aminobenzoate 1169.964793 3345.888128 622.3226949 1460.287277 773.6924874 893.9149664 1177.056968 2869.117017 3638.164381 1276.797796 1626.455215 1680.004979 1725.438469 1711.265119 2352.660865 1786.142509 3569.623136 1782.660306 376.9164609 543.0440397 1943.158272 455.8856788 452.0130508 610.8533916 390.1540993 643.811545 4.07813e-08 4577.132623 3399.221299 3939.981446 4221.603533 3627.171114 1937.395599 3523.134621 2751.520127 2760.641814 1058.598777 227.1196397 1229.928893 302.4995061 4.07813e-08 4.07813e-08 4.07813e-08 518.5804592 1165.656134 4.07813e-08 1172.269899 2301.438025 1347.082198 3581.56662 3592.082515 895.304548 3212.062899 752.7611447 Marcanine A 28329.14225 28843.94644 30367.51391 31309.68204 30803.03619 24334.64284 24113.38222 19790.7783 22672.57356 16266.25951 15053.39735 14990.33258 14907.21331 17976.72025 13969.44914 17971.45701 14501.09856 17189.03316 19146.45322 19050.06949 16738.92352 20906.28293 18113.40055 19597.4756 18787.75572 24230.59834 22242.45843 13927.28139 18917.47738 19990.42941 18810.04279 14877.91229 16140.49954 13086.59025 18338.58063 23116.89952 22252.58397 18835.89947 18847.94882 16140.87176 16734.80464 17644.55131 20210.25775 26242.42179 23116.62943 23332.86669 19645.19881 18883.40644 18636.46207 19509.76557 12994.68061 19133.27724 18134.01155 26165.6347 LUPANYL ACID 9110.662753 7172.618194 5546.634855 3700.496976 4396.352395 6444.457169 6615.169097 13398.57501 10656.13115 3965.185056 3518.522528 1722.009028 4528.261337 1684.713005 3414.33398 1677.695611 2252.055013 5728.568768 6921.764186 7127.785456 5220.418307 5791.664434 4847.23958 4004.569952 5535.645184 7510.339445 7559.922665 2419.546636 2541.984151 1825.923605 1857.336639 3462.306096 2786.000259 3239.986357 1821.632683 1227.502383 6279.578148 7358.587588 5898.119961 5818.844745 6110.8607 5869.840453 4818.742376 6833.758512 9078.649514 3929.866147 4439.532612 3435.142682 4973.853753 5454.671405 3254.498293 5002.085707 2515.025048 4805.229093 (S)-3-Mercaptohexyl butyrate 4.07813e-08 380.6732018 132.3824954 221.4882114 368.7225956 136.1452031 82.17632038 109.1273343 150.7339539 503.0276214 788.849525 1015.674192 539.9375259 626.8909942 866.6578715 467.0077288 40.48488295 273.8048008 1072.023703 182.1983186 566.4699982 801.5963992 479.2902144 569.2733025 627.8389782 487.5920527 183.7925623 819.85971 709.4723778 887.5252632 335.5876718 1120.285205 927.960093 984.9223406 92.76616278 430.0712701 790.5831011 511.5712545 404.0923408 510.2055131 941.9028574 483.2175421 469.958036 837.8120688 580.7555444 193.8354429 169.8542515 338.3086803 332.7773071 613.549382 1037.488992 599.0553076 867.5448854 245.0451353 Acetylcaranine 1917.255336 4340.452696 829.9230227 1560.747144 1815.763066 1632.667703 2577.628449 4471.688213 7281.167084 579.8940051 1893.711258 375.2935788 611.6715887 319.0315351 1541.873082 299.2012115 961.0712669 441.7100935 4.07813e-08 4.07813e-08 697.897326 4.07813e-08 199.9704875 4.07813e-08 324.6988677 4.07813e-08 4.07813e-08 533.6781689 709.0080237 4.07813e-08 1003.514418 372.5505785 586.7254649 827.3010298 563.5698903 179.4163759 292.5630096 91.36302786 937.7095919 236.1712751 102.262593 196.7008371 4.07813e-08 4.07813e-08 127.0726182 110.4215861 1991.603956 1299.677993 2865.994171 4784.894827 245.8140192 1987.504068 532.6529211 349.3255103 3-iodo-hexadecanoic acid 1056.158554 929.6233517 795.8776927 406.2732405 441.5891421 1482.121294 1093.324561 1252.840297 325.9113338 538.1710936 472.8028057 171.5366856 605.1337377 57.25218875 430.6203551 4.07813e-08 4.07813e-08 274.8091458 2316.336197 1650.110264 2218.556076 1750.411709 1683.165906 1991.564048 1302.265394 2406.452915 2330.093464 646.7866137 586.5813846 311.5578413 187.6333051 738.531912 760.5280854 1145.894853 4.07813e-08 4.07813e-08 1620.654074 2222.181819 1428.321343 1637.679921 1290.893721 1862.607086 1378.88042 3773.552585 2405.518653 1989.439116 2202.624191 1877.008476 1685.912695 1177.152739 1286.184 1111.278787 1114.086239 1588.119236 2,6-Dimethoxybenzoic acid 8458.002229 12168.00123 8589.113535 8783.372006 8908.190449 6626.15733 8211.865678 7974.556143 7867.605634 8990.687016 7977.82224 7390.886903 9466.98457 7106.350161 5846.091737 5100.657894 4096.729418 6455.292457 8636.612459 8101.380546 8206.868386 8083.055384 8582.616637 8767.785545 7845.944034 10270.62359 9588.772595 5938.514526 7403.907542 7574.742682 6435.820912 8863.404347 7821.084574 9068.562724 4367.55956 7238.566141 10125.89378 8301.67342 7931.712631 9297.207177 7415.364878 9110.504128 8193.27248 11108.67231 12260.73139 9114.734034 6780.036807 6873.421496 8128.970159 8747.616332 8576.860974 6876.251392 8829.760281 8160.685836 5alpha-dihydrotesosterone 1063.562159 2016.076355 5000.65254 3164.269644 3199.485969 10163.36618 4744.090703 6514.341196 5103.238027 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.45317751 4.07813e-08 4.07813e-08 3722.930824 8347.842798 6782.563732 7689.794719 7108.730348 9468.365022 5466.418671 2127.944018 114.7796157 0.169738967 54.54013758 4.07813e-08 4.07813e-08 55.90761927 4.07813e-08 4.07813e-08 59.35278917 4.07813e-08 3266.878349 3624.50075 3698.482874 5682.502859 9779.942206 3428.308099 6315.677162 1862.75747 96.87734613 13220.48422 6425.42671 12737.03431 4294.675721 4664.039682 2721.500137 5835.176037 276.2662652 4145.080075 9,13-cis-Retinoic acid 1861.662492 1241.146494 3946.221926 2992.443066 2496.045456 7448.117314 4564.637707 3760.758447 4339.299357 60.15487239 374.1667143 111.0597462 75.91076262 165.0587327 215.1430137 91.76632952 481.1990559 278.7048333 4178.229289 8092.776053 5502.356579 6450.073536 5022.571685 9202.606638 4657.656369 3251.284967 1434.458195 166.0175541 142.1670542 297.4776541 601.1067465 522.7715655 4.07813e-08 248.6901817 139.1591661 68.8195258 3857.381079 4464.96457 3826.613715 5747.400957 8472.359158 3845.289426 7560.120068 2270.572081 1809.319171 9095.795426 9130.842805 9532.919687 4042.391829 2890.541864 2803.911857 7354.987231 733.312185 2605.347103 (3beta,15alpha,22S,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid 880.4635507 1093.179966 2317.234171 8397.753956 2561.066483 3455.107271 3253.316228 1001.174643 1601.425787 153.8234872 281.3975697 213.9580501 4.07813e-08 152.6413404 334.2964095 4.07813e-08 924.6707953 489.7285958 5918.918625 4299.231324 3017.230444 8341.864946 3698.050916 10145.03641 4426.622698 5368.578338 4114.733805 4.07813e-08 142.0686667 553.2216785 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 123.2538924 166.0583924 2128.651292 3710.563388 1812.430107 6171.320096 8008.91431 3512.674417 7999.026783 2593.098991 4798.567633 4197.245246 4387.037672 2164.133669 2142.095896 523.918095 418.0478187 2606.844383 393.9939518 2722.633121 N-Acetylpuromycin 4.07813e-08 4.07813e-08 1898.764412 4.07813e-08 4.07813e-08 2170.131965 180.1518918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4413.50773 1310.87334 8160.140537 5083.562639 8151.371653 15321.00443 2933.101081 473.7779288 4243.585326 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 485.8466564 4.07813e-08 4.07813e-08 453.9916368 1247.768893 3573.441953 7675.531695 919.1163239 8196.61898 6896.682933 517.755584 23419.35747 17882.45599 4771.921498 1598.604144 260.4349865 4.07813e-08 4.07813e-08 967.9667502 4.07813e-08 820.6460532 prolintane 2016.30895 3876.919071 7464.604077 3112.062343 3957.837507 6432.615809 3974.973449 2761.384644 1285.518664 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 239.2136082 4.07813e-08 4.07813e-08 4.07813e-08 9503.108446 5805.620192 12206.66571 8994.042904 9765.165523 8657.578635 10344.60181 4748.513455 5547.096598 4.07813e-08 4.07813e-08 4.07813e-08 3705.133985 84.95823407 4.07813e-08 11816.9533 276.8047017 1431.9555 1008.153941 3221.283566 6523.730728 8768.71054 3389.479911 12038.76617 8760.737828 4556.421802 9079.185835 13514.42975 7721.621441 4964.789773 3876.616322 3018.753761 449.8063409 6922.824988 242.3571993 5563.445861 Stoloniferone H 4122.388899 6574.768008 4978.136299 4646.922077 6098.945177 4883.501754 4218.307223 3185.951355 4473.756003 2452.636131 2241.016881 1865.816954 1832.898109 2680.419289 2630.374032 1271.349768 1172.92104 4743.541734 3797.003068 2984.715352 1841.413331 3386.667021 2882.389493 3718.190965 1590.155437 2704.385118 1631.925152 1507.103961 1787.389384 2066.910672 2553.530223 2039.948785 1150.689839 1657.703524 825.2925439 3684.83389 3655.24434 2756.91106 3048.976233 2288.888262 2305.985084 1343.99739 2933.533467 4073.776748 2264.918733 3443.832311 3451.2893 3315.242655 1896.781638 885.6501305 2190.901928 3579.512033 1728.148747 4157.560415 3a,7a,12a-Trihydroxy-5b-cholestan-26-al 4.07813e-08 4.07813e-08 4.07813e-08 543.499693 4.07813e-08 251.4331804 4.07813e-08 4.07813e-08 525.0537987 2246.145949 2644.447421 503.2497471 834.4570192 3487.735061 1034.561561 10543.37471 9482.787702 1983.845593 381.5286763 409.8822356 4.07813e-08 4.07813e-08 264.8597804 1980.967535 4.07813e-08 633.0792919 1190.034186 4.07813e-08 4.07813e-08 211.744606 134.2652803 4.07813e-08 4.07813e-08 4.07813e-08 206.3836221 232.1044134 4.07813e-08 156.4147155 4.07813e-08 4.07813e-08 201.9928875 424.5142165 1250.184667 399.7318916 575.9740142 618.0114475 1588.776227 150.0892581 4.07813e-08 4.07813e-08 153.7948027 4.07813e-08 627.7197354 175.873635 Glucocerebrosides 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 357.5201759 4.07813e-08 4.07813e-08 959.1534252 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 139465.8445 4.07813e-08 4.07813e-08 826.3057827 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6650.57788 4.07813e-08 29197.39743 42325.07711 30429.0466 2190.037264 1575.712182 1460.713821 PG(14:0/0:0)[U] 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27413.26171 24351.86945 4207.15059 14062.07903 7039.666855 4.07813e-08 43244.60773 7743.550879 2391.559502 189.8593897 864.8582732 1408.948245 4.07813e-08 0.039795898 4.07813e-08 4.07813e-08 226.8471048 4.07813e-08 4.07813e-08 8077.607764 18851.7236 6982.801312 8599.219201 10315.85888 4.07813e-08 12507.6341 1337.345946 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3877.80432 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26300.97576 4.07813e-08 8-Dotriacontenoic acid 20483.8612 22541.02786 20062.548 22440.2505 23172.83014 18089.6569 21827.15483 18308.02235 18614.80873 15435.51478 16186.08742 14561.1802 17111.05753 17822.41842 10830.47819 16440.25291 12710.93837 16334.0943 15552.18559 15205.04971 15875.28234 14667.98047 14401.98254 15723.16515 14208.1756 11646.48269 13079.23395 10890.20425 15517.06139 19743.37684 15002.26148 16293.05863 13528.88518 9917.314942 14309.06361 16002.40037 19529.76281 14978.58215 17181.84054 13911.89905 12088.47327 13726.78946 13215.60352 17052.41964 12776.99635 18191.95209 16133.31458 14481.03516 14710.7404 16976.37295 11513.15381 16327.84226 16624.02828 22157.29879 2,4,14-Eicosatrienoic acid isobutylamide 14637.0484 15319.75903 14530.03336 17998.89892 18866.02285 10107.22113 14362.7518 14700.85181 15617.21173 10095.13194 10721.63241 11000.8416 9712.714871 11162.91747 10103.45888 12756.33264 7647.369178 13043.90718 11196.95189 10394.07175 9946.335806 9195.117913 13331.23965 12464.50325 14227.82694 9029.162944 11039.23206 9368.427726 10460.55499 12438.08178 12860.50981 13370.081 9070.843747 6287.736713 13446.20628 14110.24035 13506.57914 11849.07159 10642.9516 12755.14721 8852.655476 8865.887552 10793.94748 16032.99712 13127.69665 14099.8497 11033.94744 12832.78843 9337.609706 9046.654827 8528.604953 12231.82008 12056.11863 13029.50027 Tryptophyl-Glutamine 2431.764258 4594.962955 432.6471968 2353.522489 254.4648323 1081.336212 3071.770334 3258.03831 4832.49306 1956.33466 2752.421463 1862.233914 2116.714031 1539.503238 2739.408535 2534.486124 2423.625835 1446.055421 89.20696518 212.6420939 963.8266525 73.1026294 1.353546128 4.07813e-08 4.07813e-08 320.2174169 432.3192771 1842.551283 1867.823773 1906.722149 2443.46306 3040.645707 2080.298236 2321.550114 2652.278192 2395.778587 308.7032369 460.5369313 91.46666318 323.4037489 69.72524177 427.4081383 4.07813e-08 4.07813e-08 557.8164158 4.07813e-08 199.2943027 185.6904338 1745.499352 3276.722866 1579.676651 621.7817507 1943.747477 104.1624125 Methyl hippurate 3792.254653 3727.176875 3950.854572 4012.819715 4606.393135 3799.8146 3267.546194 3513.510813 3636.142498 2493.733473 1923.44296 2214.331376 1616.252192 1528.421017 1541.471779 2130.585419 1587.567954 2245.099105 4286.881458 4259.61621 4122.82207 3490.391694 4267.729032 4259.414258 4143.155016 5061.131456 4443.937331 1791.392701 2266.74656 2349.764024 2072.55319 2113.39586 1974.334775 1701.582788 1910.965315 2170.164035 4158.813863 4052.395391 3779.684758 3930.07583 3718.046925 4148.149352 4291.361567 4827.220635 5117.253622 4518.497172 3585.001141 3558.247906 3473.537336 3208.85646 1986.465662 4052.269575 2604.539468 4605.214213 1,2-O-Diacetylzephyranthine 4.07813e-08 4.07813e-08 58.28047312 4.07813e-08 31.09476847 93.95233169 4.07813e-08 4.07813e-08 4.07813e-08 8417.983411 10722.86224 6691.835508 10011.92154 5340.265665 5525.976612 4552.547772 4293.119732 10263.34745 25.75570535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.28261579 5592.72691 6486.377493 14265.72533 3359.484141 11717.58635 5973.237872 7741.459411 1705.890639 9830.344383 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12429.00832 4.07813e-08 12359.74135 44.59231298 Minquartynoic acid 1202.453362 2825.294933 1282.251414 1532.954319 2188.227603 965.2375086 2504.657912 2589.221567 2774.543181 2179.791124 4458.883417 4299.380773 2503.431916 1301.005734 6723.689159 32207.18464 5432.865074 3221.158828 1146.638852 3325.213118 293.0952663 1031.832953 2295.761657 2866.435379 2547.299175 1741.958239 1904.95934 1785.537017 3864.04988 6194.911532 6591.364786 1385.450561 7860.324629 3336.054158 12612.23285 5870.443267 1656.195166 1310.528742 1078.891976 1692.710007 678.1052604 1448.886346 3680.533748 1474.829375 2462.737442 988.9439136 2235.199246 725.5888385 2488.833475 1285.873381 1460.402788 1852.126006 6899.085547 4853.672505 1-(2-Furanyl)-1-octanone 881.7132979 764.3749063 1317.151438 899.8286361 952.5026458 1335.548661 829.1650952 577.2003763 817.5207155 289.6741231 107.5321864 128.7637528 117.6621619 400.5574733 166.9219315 256.8274583 166.7945243 238.9661732 1940.426658 1504.266729 1722.8597 1914.686542 1770.877569 1757.224512 1793.069945 2309.822783 2035.177137 182.0580166 111.9903123 413.7539974 548.1255594 224.1156227 526.7991418 182.2050637 464.8301227 102.8764247 1416.05192 1496.160433 1562.589913 1286.935473 1958.116489 2011.042375 1724.689636 2777.44742 1959.624094 1915.02757 1485.836755 1237.515232 1541.574757 1380.578461 235.5949369 1883.785359 246.6740412 1453.109798 3,4,5-Trimethoxyphenyl acetate 544.4838097 1190.168482 1468.560413 2334.844702 1569.392706 1017.443349 798.3875807 912.2660653 803.1178086 661.0429166 786.7136768 1276.266812 474.9028992 1747.098458 274.2974135 685.0211623 1119.5848 974.9000668 1658.857394 1320.801232 1496.797243 1400.134535 1433.787825 1134.693615 1682.309716 1565.07439 1271.268437 956.9330993 831.1861475 1760.919347 556.3369435 784.0582027 1124.947007 552.5373041 1436.993277 2033.12078 1879.291104 1556.924158 1207.713706 1674.80769 1398.873225 1372.506963 839.8415033 1235.032559 1731.377901 986.973589 1083.304506 1286.385912 1374.179135 1020.306763 554.3177536 1745.246065 415.1323381 1123.451384 Isohelenol 2909.96157 5414.552333 1434.04669 3508.484639 1217.01736 1838.489571 2654.672662 5605.537866 13748.34055 4.07813e-08 4.07813e-08 129.254952 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 497.4808927 753.0234171 2362.496539 546.7403168 1475.087815 1712.569726 966.6272097 1472.27176 1515.252409 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 197.0207057 385.1410544 1906.132372 2126.922169 1180.824863 787.0587607 429.3147975 2444.132827 686.035425 1278.66315 1154.91445 2970.068585 1937.83237 4259.554708 8050.648959 4.07813e-08 3249.499862 4.07813e-08 2646.400874 Methyl phenyl disulfide 8813.696159 6470.049586 6953.804934 7327.311577 5153.59652 4825.263109 5374.393172 5547.994555 3682.749978 492.0459667 490.5142995 526.1350063 375.9767605 457.3399944 543.9532199 429.2102892 522.3932278 536.527758 6593.68032 6305.421214 7557.222407 9131.672741 7239.142825 2855.647225 8675.298292 10281.00048 4481.75284 493.0240566 845.9770128 990.0410891 877.7815907 1409.62047 681.570437 540.368677 617.952344 518.1679949 8152.289427 6130.981531 7150.520354 3646.012533 7986.901285 7310.793128 3022.495418 8479.217104 11195.13094 2343.843876 2674.11729 4225.678012 5810.397053 4458.068681 1048.122752 3959.306737 660.4022789 4075.369259 PKODA-PG 934.9410857 10879.51015 4.07813e-08 839.7413965 4.07813e-08 4.07813e-08 3403.363702 7490.929114 2925.201682 78028.20109 84533.58815 80080.98077 64555.41142 37009.14912 126959.0222 68583.00085 60588.36104 44024.85833 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.210298247 4.07813e-08 4.07813e-08 48123.82349 86772.35892 26465.45859 63090.38119 38418.16483 72499.09303 81291.28265 55048.97075 22341.84358 1578.899028 4.07813e-08 384.5041344 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 716.5423962 4.07813e-08 36641.81885 383.4456047 35599.96729 4.07813e-08 (1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide 4521.116811 1846.193127 2684.468477 1406.4231 3743.220921 3719.260724 3415.579142 2788.079573 1883.841165 384.481719 157.2171934 4.07813e-08 219.595642 4.07813e-08 162.9697703 4.07813e-08 625.9786485 673.6014653 5187.88525 5597.505037 4743.457292 3201.348177 6754.868213 5777.035815 4433.514776 5448.56826 5822.577291 520.8396095 4.07813e-08 312.400313 4.07813e-08 612.7245412 211.0102607 188.8599483 272.1704649 279.6203033 3505.735701 5284.264579 3524.456047 4284.778251 4825.703613 6583.81096 5066.799696 6101.599043 4887.855309 5592.332218 3529.78302 3953.831159 2248.668403 2338.076285 696.7643145 4473.662321 615.3535036 3477.92406 12'-Apo-b-carotene-3,12'-diol 5419.200461 11067.89045 4740.422257 8969.75489 5144.45292 5619.704679 12714.56104 14037.28804 11957.83443 16911.83548 18634.87437 8362.989246 30532.24025 19244.2817 15990.1436 9657.332922 10839.88841 12261.235 4269.471163 4473.744501 4868.09763 3516.24119 5286.921178 2832.347982 5747.369178 3719.414583 4545.376216 24401.45699 14503.65536 15507.32784 12611.09989 40806.82533 21101.25676 33694.71186 7047.423851 7441.055096 5511.584954 4806.388249 5942.454236 3517.700034 3580.445015 4928.357721 2875.607104 4601.187672 3451.628733 2998.074239 7574.133164 3884.239528 12011.35464 32946.38388 25189.89876 6533.771496 96519.00132 9495.608605 Hexafluronium 3951.965685 9050.156354 803.4798189 2121.297873 0.004898937 300.6977979 744.860951 3781.578634 11854.1103 21221.95069 15579.09878 18716.36681 22604.65243 34277.15444 20588.93343 24399.64441 41279.13386 33175.45992 4.07813e-08 4.07813e-08 449.2959076 294.3992668 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30556.75072 21310.49076 41723.7922 25873.82246 43508.50495 27531.85844 15076.24936 34843.93431 30673.42321 3359.00245 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 315.6425483 448.189999 5372.144029 6244.818762 29112.76435 1780.463481 19911.16234 1327.098015 MG(0:0/10:0/0:0) 1929.018021 2381.709766 1155.964007 2947.03208 952.6139163 1677.152578 2292.713723 2811.665497 1197.30215 219.7996134 450.6377354 163.8608538 203.7886961 167.6911885 340.0168961 296.5960657 716.3768763 203.1787054 90.30311415 126.6299261 909.7432987 100.3907149 362.0102243 88.40067952 277.5132245 240.215914 428.0604352 107.487697 531.1453714 588.5182965 465.0806352 253.3738103 326.3613159 226.1784968 415.4277378 135.1832036 851.1301964 578.7015233 1030.748238 876.8378905 156.1098914 103.6855263 163.7437401 110.3709496 99.19093783 4.07813e-08 275.6097268 169.0776778 905.2673034 3765.91443 4.07813e-08 88.98938692 377.2032364 106.8037413 N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide 2449.666665 2479.613037 1403.248028 1231.014043 622.4573712 779.7887532 711.2353983 416.2069185 1299.883976 3349.005752 2336.37286 1558.379098 2228.383336 933.9607342 1603.156034 1016.85539 1534.22205 1476.277588 1717.636389 4.07813e-08 3538.823845 868.288781 4.07813e-08 4.07813e-08 151.2216619 565.8331558 4.07813e-08 1173.397709 1133.970596 1735.838003 868.498051 1716.224223 1654.938891 806.7673595 845.0903369 1049.417045 1454.204485 1756.055823 2610.714636 1781.874987 545.649371 577.9001632 4.07813e-08 4.07813e-08 1668.016829 4.07813e-08 4.07813e-08 797.2759961 1166.564876 1450.130303 1692.772721 1227.784855 905.8400864 125.629919 Oxocamphor 1728.569393 1266.746135 760.8403367 1668.980537 1656.704153 1770.821702 1950.010548 1808.989897 2081.721183 221.939638 505.7532269 162.9838765 248.3646174 38.46439661 86.82413469 322.1285783 284.2956914 330.0862057 439.015312 915.760632 286.3875641 851.7497334 948.0334029 687.7286526 821.1101468 490.2858887 942.0228352 91.20942321 412.9407861 563.7480496 540.261948 4.07813e-08 380.150214 281.4464053 509.5941049 317.0849678 982.212922 663.8252436 973.6301427 433.3991984 695.0201629 955.9309868 1223.643928 697.6245596 396.6930017 1444.890574 878.4397745 1523.837008 937.3341478 1273.966228 184.0070585 683.7031839 98.58140269 1648.791524 6-hydroxy-1H-indole-3-carboxylic acid 890.9894947 1442.776936 1184.740945 1013.315154 872.1108921 286.9006389 1388.472792 467.4513634 230.9109423 1955.323658 1558.334654 1002.114055 1414.846973 1827.528736 5131.568319 804.5714455 668.7050696 829.0503594 131.3737786 187.357937 482.5287622 880.2050169 59.24708503 4.07813e-08 703.3820781 79.42714869 4.07813e-08 516.3100805 568.1419903 869.3478551 490.8517705 556.6003033 1333.673955 875.8567557 576.5296583 480.7793218 1667.209599 390.4851349 358.0927054 48.48723487 492.7322616 519.9884448 57.19976665 375.7571577 611.8016985 112.3429902 4.07813e-08 254.6608211 523.1149847 755.5533886 368.9528212 425.5281148 144.8669157 585.4738272 QUERCETIN TETRAMETHYL (5,7,3',4') ETHER 2767.132913 3176.031858 3616.218226 5345.230702 5285.543803 2514.786828 5980.383132 4000.302427 3228.505045 1422.029111 597.6535549 3414.768718 1216.072927 3632.548619 738.6275915 868.0251076 821.4737702 901.470778 1718.838549 2584.228122 1478.347347 1632.532093 404.5173337 723.2034294 1740.386434 396.6285962 1260.890275 4.07813e-08 1349.555312 2091.096333 916.9927401 854.5427121 1480.060609 511.0975975 860.4964847 1766.875366 8388.709931 791.2638427 1663.663974 734.8666609 481.7416344 421.9018628 388.2520792 1387.538907 1770.56768 1458.284131 1366.612979 1661.032 1701.000277 1733.224237 1148.761207 1243.545878 390.7115721 2337.156065 Lepidine C 950.9259243 538.466779 1841.379058 1534.870792 1673.846307 1499.111056 1519.445206 986.0014166 392.6783494 6995.218724 4760.298111 4328.100039 7359.560533 7608.295322 72157.56303 3579.977456 7318.882768 4677.981333 5935.564381 4244.029519 4561.703215 3551.771813 5863.702156 2673.639347 4653.526284 4195.522801 5020.683161 1589.484249 6005.69119 6561.171046 3607.576878 5269.677887 17317.87374 2508.863605 1973.240876 2650.979665 3091.223734 3105.247184 3504.364445 2884.002954 4874.173047 7113.523911 2870.573549 4424.986118 5139.917078 4701.450235 1502.858902 3014.52174 1631.328068 1210.220044 21566.29712 3392.677213 1485.464429 2509.193926 N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid 5706.579698 7414.580775 4402.061693 7050.374657 9591.224544 5596.36353 7516.962647 5595.918391 7090.055738 788.4186778 1926.020633 1712.365897 270.5550324 1924.832222 3180.118575 1018.068614 534.14338 291.2240798 6444.988563 7201.375895 6545.491134 5746.854625 6759.295586 5370.714909 5640.498804 6983.636757 7931.233895 925.5265095 898.2494561 1508.386048 1754.730572 1687.056228 2116.685142 1171.882442 1215.663855 1002.379259 5927.537154 4543.125248 4815.236828 5782.861458 5931.230421 6428.602967 4314.713684 7041.052732 7292.246187 5625.619797 6502.935207 6008.539669 5068.158693 5659.193489 1471.03641 6017.95174 828.7374982 5325.762961 PC(6:0/8:0)[U] 22067.81839 26378.88922 15779.95463 14662.0266 19737.24563 16422.33616 21220.09727 10173.87287 11996.65455 16728.69313 17897.72523 11810.89703 17349.34318 13632.14027 12229.10526 6670.019636 13157.35499 8843.155819 49331.89547 35785.00751 33483.20895 31362.11826 36232.72488 24835.02669 33340.65558 31853.18936 32187.70494 7114.925127 13700.19441 22057.19083 9664.159065 30616.85777 19360.19078 8274.966806 6566.328383 11934.05902 35693.43958 28595.29567 29648.12621 26672.31197 29684.51515 42004.87503 20532.15794 31955.04841 40047.95223 24093.69538 17556.09222 24954.87465 19689.29685 15427.40973 21086.73475 29155.85817 14606.70296 22498.78169 PE(0:0/18:0) 1438.236249 1113.734016 1056.854493 489.5744351 1227.349919 931.0920863 1315.330643 2297.555925 1653.51906 15295.33521 7847.818336 7598.91307 14038.64106 23142.11622 18381.76939 12493.8032 21240.81944 21171.06136 4718.12169 3326.671293 3161.209104 2679.451546 4404.464823 4419.706678 6007.098429 4154.628425 4363.725652 23195.47428 21762.18797 25803.40743 20671.16813 18950.53294 11657.5145 11219.08551 10698.81351 22925.31081 1616.288487 2088.924134 1839.105398 3201.322037 3577.754353 3543.416308 2631.173528 3252.861855 4381.324391 2922.936102 2193.4148 4313.448449 2780.803258 1188.253253 15806.53074 2767.568528 11280.11921 2684.179368 6beta-Hydroxyestradiol-17beta 3382.224936 1502.963063 3099.129763 2451.633485 5040.106591 2904.001098 3335.596239 3251.771289 1900.063244 1063.594836 804.3987946 761.2275036 1242.051229 867.2195027 766.3398413 341.92057 923.8789075 995.5135035 9603.243621 9554.699832 4588.774901 7373.789442 9856.478804 10247.44265 8996.850439 11456.72671 11634.07891 911.788422 1056.039682 663.1448801 725.7557565 1177.129942 742.2206443 1276.321048 555.3592217 611.4579359 5623.031716 7194.678113 3862.95727 6582.577391 9209.868507 8368.784801 9158.643766 10771.00931 12603.68391 7816.338792 4694.843844 4764.901564 2670.312219 2588.081815 1467.588555 4780.991229 1271.954017 5561.307559 Gibberellin A61 2211.683608 1139.874922 925.872156 956.4205734 1338.520048 1410.233815 1820.411037 4.07813e-08 637.6344288 245.7995145 348.2194465 4.07813e-08 308.22716 0.037137219 4.07813e-08 4.07813e-08 948.9740226 4.07813e-08 2557.089323 2814.470719 2026.801668 2318.31847 3497.742975 3313.204638 2366.044946 2470.7068 2113.40846 409.5674219 246.2878835 846.9313969 101.4915103 4.07813e-08 691.4580034 163.1445367 4.07813e-08 4.07813e-08 1543.088275 2730.609781 1019.679028 3297.674399 2461.679595 2786.155072 2755.810791 2246.284053 3230.229594 1324.231243 439.2927266 1297.414475 612.0466189 302.3200125 4.07813e-08 2147.289182 711.4003998 1609.79318 Myristic Acid Alkyne 642.106775 743.1774977 979.1919504 913.975972 971.9014976 1288.757996 1441.287444 436.0737638 665.9666108 4.07813e-08 405.5037239 4.07813e-08 4.07813e-08 39.01646256 4.07813e-08 4.07813e-08 4.07813e-08 83.63654024 1798.559493 1301.073212 1899.409161 1583.755827 1449.601101 1352.210828 1014.71558 668.842793 591.5930709 4.07813e-08 4.07813e-08 55.7802612 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 844.3876336 917.4712975 1331.946288 806.5065969 1843.979133 1188.854628 1640.588183 336.6590959 1464.297954 1256.561778 562.9518895 1164.34519 695.0829233 937.9372179 4.07813e-08 949.7133507 51.60844253 532.434751 Trimeprazine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8342.370798 5800.847598 11098.14617 6326.551155 6587.79181 7608.351155 4312.823128 6748.2813 12084.93268 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1110.485234 9992.717857 11547.17123 4262.995568 17564.1707 6454.135994 1361.507126 3794.52825 8869.634719 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.78781593 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.19006544 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6289.85635 4.07813e-08 16436.82089 4.07813e-08 Neuromedin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 970.2106124 4.07813e-08 4.07813e-08 1569.200582 38420.64195 27695.43119 64595.95512 27736.77879 39642.3433 38382.33891 20167.91599 47836.83496 81377.61755 184.9721253 4.07813e-08 4.07813e-08 4.07813e-08 2499.867928 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6522.666203 51448.83436 62687.09452 23774.71259 101551.8062 35008.22399 7882.486535 17569.10031 45745.88357 4.07813e-08 435.8079125 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 980.253148 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 208.4623033 1708.40427 39092.39257 836.5031231 100603.5174 4.07813e-08 Tafluprost 3340.882158 2699.714076 1229.083284 2267.491689 2261.000963 1836.208464 1432.350518 1799.953021 2659.602148 4.07813e-08 255.5892998 4.07813e-08 291.0804851 4.07813e-08 99.0080902 4.07813e-08 4.07813e-08 4.07813e-08 6053.263266 6172.837807 6619.944843 6259.274542 9399.191637 5516.93672 3183.339576 5089.698839 5983.448189 508.8355858 247.2163408 812.7795955 224.5284346 6.847368646 4.07813e-08 306.5386133 4.07813e-08 4.07813e-08 3109.825202 5156.675543 3784.261657 5780.140955 6595.86751 7023.322938 4496.916924 5147.551055 7212.361081 4374.596727 3442.504173 4244.227532 3903.802206 2429.736625 4.07813e-08 3628.326654 4.07813e-08 3825.377834 Mivacurium 2257.649755 23452.68919 1134.086436 721.5205659 1871.069407 4835.263215 2002.895013 4125.643015 23580.27912 326200.7083 257313.2153 756272.5147 313776.1643 1090002.189 651347.1077 944196.0641 910401.0178 761790.3328 1015.937224 664.9501417 4.07813e-08 380.9356394 1745.290282 1717.787395 2406.949617 2028.723233 2119.922048 852156.758 286009.1198 12261.27971 310639.6202 96553.45316 32787.13687 168990.5322 932995.2527 174407.2953 2460.443764 1699.670775 1170.611893 1763.895027 4.07813e-08 1898.936584 986.9005942 1619.467395 1384.904813 325.6642592 163628.1702 4090.08834 46893.69175 1066.582092 394933.2362 8001.516833 32026.56629 11755.35172 NSC 23766 168.6903184 6.858371481 393.3036075 299.8975261 376.3743722 1124.955069 729.2771537 1423.242577 565.0876561 66.56393977 108.1324931 1109.210151 445.4032649 12665.16629 4301.728085 669.6921774 265.4142009 5318.642448 1921.543249 1794.530962 2033.680466 1114.359023 3070.674714 4168.551786 2748.244692 2889.583746 4845.387512 1097.756814 314.0861731 1275.899078 230.1598474 1410.139431 732.8762517 825.491681 49.57026622 531.9074385 800.1448662 1852.629523 1377.993904 2393.72769 1682.867995 1774.810441 5109.047086 3628.317356 3372.209208 3765.349372 589.8806355 1726.6172550000001 1312.564891 1441.356031 706.4243039 3023.286202 154.3114923 1649.133424 S-Decyl GSH 5173.608094 1893.424125 4262.319743 3441.916067 3416.425144 5583.403129 4868.490081 5454.406204 3576.687654 65.58374994 399.4529905 4.07813e-08 4.07813e-08 4.07813e-08 181.4947353 4.07813e-08 462.9023406 494.1859081 2317.017513 6377.132125 2954.366331 6191.737407 6108.740229 3839.815473 5164.544726 6903.840069 4617.711415 233.5900717 4.07813e-08 98.80532193 4.07813e-08 416.320663 72.72983239 118.6644801 4.07813e-08 4.07813e-08 3370.866196 3666.420635 2186.533429 3243.712999 4060.371818 3833.139775 3369.362249 6330.519813 6407.482614 3475.68284 1305.146687 1954.800877 2553.245579 1600.40093 603.0885019 1701.220318 171.4993394 2568.60055 Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)- 0.129132292 4.07813e-08 78.60556691 15.23584946 0.15097993 16.93715006 85.34546185 0.001467012 195.8986386 4.07813e-08 126.8941028 266.9363197 4.07813e-08 99.12871243 819.5801208 1243.699279 78.66277879 591.6483379 2812.024467 230.9631105 2391.17079 138.0979521 4.07813e-08 4.07813e-08 262.9691144 1991.060846 416.8311486 1717.336973 572.864372 815.8297429 1146.431368 817.015624 980.7978743 299.1625693 673.1670254 822.1847547 823.9581847 488.6171939 1448.781506 1165.23528 1987.623075 328.2497523 13.67989409 2288.582969 2379.672398 3.816985671 4.07813e-08 1167.259713 1582.932336 1646.445082 437.6594545 1454.467461 153.5526652 4.07813e-08 Citalopram-N-Oxide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2677.304574 4.07813e-08 1335.857224 3204.362537 4.07813e-08 2641.942868 0.42059982 2577.078841 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1952.970804 2432.809552 205.3219696 3414.140011 3368.709962 4244.707527 2351.152437 2223.319094 1509.102016 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5003.512631 4.07813e-08 2652.084334 4.07813e-08 (S)-3-Hydroxytetradecanoyl-CoA 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 880.8363689 4.07813e-08 78001.52834 74404.40793 6703.855567 39977.04011 191958.0841 60712.72562 53535.1947 77199.68701 313511.8626 2.614366419 4.07813e-08 4.07813e-08 4.07813e-08 2455.549048 4.07813e-08 305.0812539 4.07813e-08 4.07813e-08 52089.3354 8272.350421 140206.6292 68436.20206 4.07813e-08 25804.3395 29107.04438 9153.601081 226225.1982 4.07813e-08 4.07813e-08 4.07813e-08 409.6508755 4.07813e-08 643.9841084 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20852.58028 4.07813e-08 31584.81822 4.07813e-08 Triptolide Analog 979.8087408 3895.621611 1697.066913 1400.0019 1724.224795 1596.703612 1032.050919 320.1191459 164.0378583 2383.887057 2129.560336 1561.460326 2478.544178 1543.809337 1214.279494 696.1261123 601.0904566 454.4781956 985.5223892 638.0282547 1174.078992 1093.861512 705.2222273 773.8124538 1841.212247 1972.304928 609.9655516 1778.485218 2395.211595 879.6276938 1267.866068 2482.005133 1824.880854 2345.058108 589.9679686 1222.997134 5228.139672 969.533118 1684.246701 816.8017334 893.5243372 2253.716523 438.6178068 1803.261641 2023.25822 758.8188959 36.13001641 1050.443049 1391.051071 2552.713031 2742.503995 2066.262499 1758.411383 222.1536939 PS(MonoMe(11,3)/DiMe(9,3)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 871.9001863 4.07813e-08 4.07813e-08 222.2239688 25197.15077 29032.06928 15390.17432 15965.60769 13204.26149 34205.3593 101603.6627 40810.18238 39699.49702 4.07813e-08 77.42407598 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26384.57496 3327.36314 15302.48086 53173.89425 60.18115856 14064.44571 20690.88394 29013.50885 41675.58281 4.07813e-08 4.07813e-08 4.07813e-08 437.8280927 4.07813e-08 11.31949388 4.07813e-08 7.673943417 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5097.274534 4.07813e-08 57441.05816 4.07813e-08 Caffeoylferuloylspermidine 5515.905992 2265.863049 4415.606109 8900.833128 8959.770939 6874.026191 5867.77397 4336.141431 3463.684181 98.10221254 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 117.6367404 3629.424578 6866.202183 2970.247454 4609.496744 3647.531774 7002.935195 3631.723338 5759.178299 3087.201702 4.07813e-08 105.2417307 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 90.8005311 86.81547826 3022.096558 4177.06559 1893.515899 3928.414381 5417.435696 1984.906778 4739.377904 3978.76769 3397.218336 9425.121196 2102.421672 3329.387148 1470.403774 1197.576434 4.07813e-08 3096.872371 4.07813e-08 5664.37828 19-hydroxy-Resolvin E1 22376.26312 10836.02582 27137.04488 25550.60689 25229.04094 24649.97048 17481.28555 13086.96323 12517.36074 1461.772434 824.7905546 798.1840137 1451.874047 822.9402095 2707.270897 31.18661654 0.210354059 7369.115791 20632.02672 26756.27339 16515.54477 18618.72532 22583.71506 20708.16551 17325.32583 11162.54334 17678.99892 69.94460395 1145.596682 953.247605 2297.702281 1166.648644 473.2974432 1498.420736 160.5386972 1249.782462 11796.42574 20189.20374 15583.0283 15679.52605 19907.6352 22985.92358 17031.23852 11097.81402 16456.91609 16529.74191 13028.48623 15240.92768 9085.857045 6089.029889 4322.974625 12435.72929 4517.200071 12451.00215 Trioxilin A3 24757.97513 19473.64449 20745.34189 17902.17033 15942.40777 25088.6997 22221.23256 17055.85995 19472.13306 7308.62759 4831.237794 1796.376292 5173.27973 1567.875191 2497.253477 1165.543002 1486.164117 1584.59478 37244.59779 36417.37409 29742.10166 31199.42661 30825.73981 27393.18158 22604.10106 22483.14502 24311.06247 1330.639169 3508.495615 2145.487728 4841.476526 6449.949119 3130.367076 3521.151807 845.8774793 793.9618019 25278.1486 28573.07549 27036.82149 28730.56465 32260.39639 31058.48651 26073.42696 20596.44408 28830.86039 31229.79015 25424.23557 28914.91611 21143.81594 19077.23284 4989.959854 27997.60389 7113.333477 23291.37961 (20R)-Ginsenoside Rh2 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7469.487845 8309.780737 4876.142718 6960.670541 7574.400091 5594.564221 1189.427775 7013.613152 13655.11096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5670.826301 5270.190843 6571.470193 5483.194713 10281.87389 3763.713344 2997.069981 3160.253173 4594.287038 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5951.608122 4.07813e-08 14623.85845 4.07813e-08 2-hydroxy-3-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl]propanoic acid 4.07813e-08 1320.848162 106.3392473 105.3289637 4.07813e-08 96.26856266 4.07813e-08 96.1199595 1731.048399 522.3195133 4.07813e-08 972.3714091 686.9246551 7181.531568 5216.753408 250.6352579 2172.22722 8843.928982 150.3060149 362.0322428 143.4483078 83.81979717 129.9801076 290.464074 151.5645885 4.07813e-08 78.61812639 66.45088441 119.8108343 4.07813e-08 2304.797917 1234.67569 71.41000981 4.07813e-08 4.07813e-08 4.07813e-08 73.56037637 643.5288075 305.7429987 543.7329054 117.4927247 159.1012317 262.9368869 71.70699933 4.07813e-08 672.9831447 2326.157575 990.8602545 6260.495688 1058.268126 6288.842316 348.5126514 4.07813e-08 851.9798846 CAY10633 6573.401922 5851.406805 7462.361016 750.8282864 4.07813e-08 5803.815698 445.7635549 16256.13912 17086.83458 4.07813e-08 99.84837976 1160.114431 511.1041548 478.6228404 331.2914002 674.6259723 4988.358993 1023.541571 13787.94024 5815.131008 6658.492204 5624.940754 561.8244449 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1161.004811 2064.467589 468.0439771 4680.389955 3540.701033 225.4078784 1646.089044 4571.301503 432.4994909 11724.67331 3814.621323 10633.07066 5662.677628 1147.662553 4455.760296 4.07813e-08 4.07813e-08 4.07813e-08 26469.8558 28218.50033 13308.52079 17993.71193 5306.25067 1949.354955 15103.66546 4.07813e-08 500.3646635 Geranyl benzoate 146.2563553 1560.697938 296.2004639 4.07813e-08 108.656297 800.6051451 404.5510478 837.3800955 1025.506274 3541.917299 332.8681221 9056.208438 3361.964191 11522.98453 15839.00093 8229.586087 19638.87947 9521.038335 4.07813e-08 4.07813e-08 52.68184421 4.07813e-08 133.1109427 178.2893554 4.07813e-08 4.07813e-08 4.07813e-08 4748.455559 2521.563859 911.3400644 6385.718322 2302.618275 1905.878662 3858.340247 11676.24962 3319.585508 4.07813e-08 4.07813e-08 56.10670808 67.77836307 127.9264622 79.5859786 4.07813e-08 4.07813e-08 65.62585216 4.07813e-08 3214.837731 577.3481228 3198.112073 827.3838931 3806.054327 459.1778358 3247.794339 883.4298529 (23S)-methylcholic acid 33667.51053 18302.51884 40188.4283 33386.82088 19300.0524 40473.03693 18437.62688 15194.51973 21197.59606 4370.502924 2725.327652 4060.107616 3810.071318 3624.430483 13676.60312 175.9161018 7315.75358 21310.53766 16401.32807 8787.577321 4882.66035 11826.03349 9639.334843 29539.8198 6010.104374 2265.855971 4036.541399 1006.966329 1154.054466 668.5274635 3183.932919 505.2144512 267.3172643 4418.260781 246.3730773 3821.683228 9016.795729 5268.10086 5154.698724 7211.44784 10616.53442 5009.254814 26456.10914 1268.323701 2711.184531 5219.113412 5600.385894 5864.017471 1608.325407 893.3823855 1112.361549 4100.548186 1913.008631 17128.18805 3-Methyluric acid 1202.127783 1217.725556 1102.699461 1032.648917 848.5857564 676.1672476 1069.866475 1398.99712 1355.481506 678.4330361 523.1718133 635.4652306 460.5660713 703.8052853 575.5705756 723.3814474 968.100873 845.034113 617.1952604 827.5172142 445.5867062 390.1361733 413.9046411 590.6044304 860.3809248 1239.526961 234.5623436 562.0520547 641.3306081 430.7348381 664.2139682 295.7867157 994.5785631 862.595947 1152.24332 645.5861369 875.1169465 671.6843971 944.9921038 332.5544144 1064.996765 903.6026379 931.8048791 851.1705137 563.3605483 1075.302831 678.8234813 787.9320745 1055.830358 714.7750153 832.0632636 1153.297678 1141.165234 932.4179295 Riluzole 4960.07205 4592.184707 4388.367588 3592.227951 2702.085405 2442.817877 2291.069734 4908.925057 4128.718999 2368.055666 1948.561454 2166.891957 2691.098635 2362.315702 1746.81678 3840.68426 3033.887367 3659.535311 2784.251786 2765.127974 2077.917395 2359.224839 1733.009687 1529.785085 4170.024653 4246.950504 3337.226924 2013.180521 2346.403659 2810.539086 2055.480018 1787.213121 3454.179379 2873.869323 2836.407683 3578.329281 2463.247084 2443.364829 2487.122088 1765.879472 3435.249356 3624.916825 2991.000462 3391.973653 2638.380657 2432.626934 2165.425551 1848.857602 3551.717888 4430.640847 2539.553674 3436.825782 3154.530247 4085.532467 3-Oxo-3-ureidopropanoate 1492033.591 1339778.879 1020207.426 993303.8911 972414.5264 935906.6839 1188269.195 1288946.243 1284489.097 446174.2645 395895.4959 716421.8394 468709.2466 372123.3056 588532.9698 116648.6222 458585.6736 433697.7163 1041637.343 858407.8871 852731.7059 781189.687 711804.7876 1002752.665 885116.6892 1071485.022 965534.5451 571107.5278 728697.4974 603476.2193 475442.1939 637804.2808 760517.4378 755021.1039 777249.4514 406269.2207 1248547.962 1193210.398 1196196.351 678426.02 687797.3337 951754.2026 1032184.608 1078715.178 789319.0208 980977.6207 1115832.153 869761.5652 1270110.548 959131.4424 761481.3211 1057052.475 541239.1007 833854.3105 NORSTICTIC ACID 46800.34602 53246.61407 45708.7711 51051.30474 38346.01644 41755.68356 56848.41246 67504.86942 86253.51815 28223.15707 44091.92054 39334.30238 26291.55508 31039.13739 24906.48055 52311.96093 46178.09709 60564.72852 391.1989405 4.07813e-08 4750.077455 847.9557945 25316.33428 1356.562705 5355.591603 4.07813e-08 787.4669558 8606.13185 40077.82563 45984.86013 68402.55903 22263.60953 31120.80751 20883.28055 43467.1186 47185.69185 3538.027011 4.07813e-08 3266.91105 4.07813e-08 2598.494573 5055.802948 2543.550102 4.07813e-08 5255.43587 39588.74823 42305.00251 34017.63717 35349.48975 34875.04231 10035.12387 49525.53331 84772.76329 49307.67298 2-Acetamido-6H-dibenzo[b,d]pyran-6-one 4114.388267 2747.480322 5173.122897 2371.405336 2596.936521 3474.756297 3622.965742 3028.690499 2575.137656 1708.259438 1039.065054 532.4689844 2220.34107 888.3788587 1217.191497 8.059171561 692.2125999 474.1283261 9862.911814 9235.586973 9363.864788 7971.145777 8327.396861 6643.326021 8214.750424 7105.463905 7436.295539 1604.90993 2048.040174 1383.307105 899.6772988 3295.77495 1013.984902 2243.312355 657.3564186 703.1810715 7349.942708 8605.718808 8196.492727 8125.069307 7835.382199 7540.363103 5469.67477 6050.580156 10617.71384 5207.292657 4018.425153 7359.937145 5798.347467 3813.669479 3670.496737 6183.058834 1903.49547 7051.504461 Methionyl-Leucine 3079.320618 2451.745332 2838.376678 1897.787842 3154.221911 2578.46086 1682.111482 1382.652335 1209.205296 626.5903043 683.9410627 45.83959541 240.8776187 27.68067628 22.33154811 288.3321292 113.1515156 352.4179954 6174.6189 3693.018973 5292.496119 4135.542257 4363.044965 2337.119522 3911.517233 6854.292668 6470.326824 527.7010571 140.0521487 514.0531929 455.5056236 228.4109545 4.07813e-08 654.8238824 4.07813e-08 149.4967294 4047.049321 3056.927623 4887.108717 4254.01396 4892.016167 4779.669818 2658.073588 5665.968909 7087.207463 2661.946214 2191.917005 2355.722319 2489.289254 2602.971074 811.9548002 2858.567066 717.0416783 1379.80778 Phenylephrine 511.064471 378.1490267 706.3489812 631.2520438 892.2095362 602.1265242 627.7892888 620.842235 233.151831 78.99987324 4.07813e-08 92.84317881 198.9694185 113.682708 4.07813e-08 181.9655082 57.54091388 135.1299077 1314.442593 1169.949955 1269.575793 1525.087818 1520.717518 1552.265089 1139.286859 1646.975092 1561.024476 4.07813e-08 165.3483597 183.6823524 212.2343034 89.24819177 151.3911101 503.9113677 159.0582243 140.1170693 880.5941602 1005.382815 1045.720653 1204.250949 1062.795363 1363.387512 1225.398738 1732.76415 1441.537642 1191.326732 488.3468926 343.4916785 411.9315518 561.0011896 220.3530757 845.32263 89.01254315 690.818239 Desmethylondansetron 4156.950553 4108.18466 3795.345067 1767.906521 2188.269891 3325.661515 2808.123516 2362.317136 7818.340703 26821.88453 35727.60703 37468.87142 32448.52453 62965.48783 37358.65971 24736.43108 79203.32504 61071.26531 7824.932157 9180.46559 7900.597384 7254.715539 9961.710986 9396.182664 8073.574405 10505.65281 9634.870145 52070.4809 43954.62973 47621.66355 35308.16108 83015.02979 30948.7441 28085.97886 59772.32052 67525.12471 4463.290856 6936.409153 4127.046234 6204.199273 5955.752408 8431.252273 7148.245446 9599.1201 11621.85337 4896.304698 5203.17522 2664.254204 2001.003131 3558.662784 41054.1469 2755.473749 11364.36172 2887.332238 Eletriptan 4.07813e-08 306.9685855 171.1996414 298.1318014 136.7879108 4.07813e-08 4.07813e-08 325.5716857 4.07813e-08 36901.10735 35371.81383 23727.99809 42794.56304 20555.89285 21546.6311 14372.58126 18873.75742 34263.9293 215.6900344 114.3940615 423.6608636 96.73279441 307.4829387 4.07813e-08 4.07813e-08 148.6602797 199.1181688 23233.70867 27708.87622 29449.46398 15514.38605 39010.8911 21168.80209 23246.6849 9216.050612 22753.19973 260.4579195 130.029091 4.07813e-08 222.2169311 4.07813e-08 282.5049678 4.07813e-08 1323.307046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 385.1240653 33815.62201 127.1456787 30362.62428 4.07813e-08 bis(3-methylbut-2-en-1-yl)benzene-1,2,3,5-tetrol 3467.567756 4051.32188 4120.047883 3084.290554 5588.571415 3497.503477 3251.979423 2784.088798 3391.816993 2847.393709 3543.762248 1481.457682 3486.49476 1282.879096 1304.224853 311.6103313 419.8212611 1191.564794 6474.310765 5694.563852 6730.889714 6683.078643 7089.769127 7201.140473 5416.303195 7407.400493 7266.224849 935.0259142 1575.854248 2663.727498 1349.39078 2521.610337 1942.429398 1945.977602 707.4409446 2073.175587 4831.233018 5571.977848 5545.587797 5827.659472 5611.486569 6581.794217 6283.357846 8345.215885 7147.919276 7156.392059 5973.793664 4949.289488 5510.502174 3992.797158 1903.06659 5317.958533 2895.289625 5733.948579 Lipoxin E4 288.1083259 4441.73131 4.07813e-08 8248.349928 11242.28742 196.3856322 277.1393903 428.3423071 465.8057013 245.292001 74.17886914 177.7930316 370.8291216 1414.474352 1230.997056 95.04123287 2081.783301 2327.589894 5123.587007 4866.431339 1705.985636 3414.73591 972.5440567 970.7581306 896.0379159 4.07813e-08 448.9065152 1159.712089 997.4358539 1136.801717 1093.218297 6012.094813 4.07813e-08 504.9520596 2445.207289 1287.34327 7676.02812 443.5506749 2400.049024 1711.241291 2747.467687 6829.749038 175.4934212 4.07813e-08 4.07813e-08 482.4838826 549.2361708 346.6776863 4.07813e-08 432.6619807 2426.343984 595.1424934 303.1276342 912.9825254 p-Hydroxybenzyldesulphoglucosinolate 2134.475593 3474.919882 2837.179573 1226.331457 1434.745339 1535.866141 506.9073641 6529.79632 3537.116526 4.07813e-08 4.07813e-08 1806.715253 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2463.760319 1918.183964 1973.384398 1388.300881 604.7356323 1807.675648 1779.369813 4.07813e-08 156.6606739 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2497.741857 1366.909164 1589.323178 2588.20749 1835.243389 1147.097593 3870.337991 4.07813e-08 4.07813e-08 5419.461461 2502.671903 7383.169279 3587.693122 7007.019856 4.07813e-08 7006.746471 641.0043342 2553.952436 11-deoxy-PGF1b 362.2189311 331.3591315 1273.388632 2585.580487 3550.614279 2635.3250630000002 1462.948343 509.5123666 521.7045558 6.093326544 8.099137885 6.330475859 6.884448799 10.0632951 4.07813e-08 4.07813e-08 8.61447817 9.751314765 266.8520786 790.6307495 343.1303714 673.8052805 408.3660149 5412.330897 208.7721666 4.07813e-08 1279.168336 4.07813e-08 8.926673793 4.07813e-08 10.42885608 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 339.7761533 130.7679542 506.9455207 1184.671737 797.7690335 112.5336236 3788.281029 245.4529308 445.6842388 529.477463 536.5847268 245.4707097 221.2167251 4.07813e-08 4.07813e-08 494.6753367 11.3744386 930.0064114 PA(P-16:0/17:2(9Z,12Z)) 4.07813e-08 4.07813e-08 4.07813e-08 782.0825657 1221.607798 859.8746523 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2996.68952 2470.105525 4.07813e-08 19549.29599 16719.2555 12363.47367 16184.76932 13596.54181 24598.46949 8350.457943 2403.462345 8113.609355 4.07813e-08 4.07813e-08 102.3810934 4.07813e-08 252.5750877 4.07813e-08 4.07813e-08 1374.913885 4.07813e-08 4245.411157 4383.17289 5046.394463 18947.27396 19175.99946 14809.04954 13966.71313 3145.016511 6756.96775 13910.84191 6445.968787 12172.15105 3738.093902 368.0491852 979.9862941 6871.80469 4.07813e-08 3429.901772 4-DHEA enanthate 821.49649 933.6730408 2442.162043 1250.04973 459.1207338 1881.339724 165.3670599 22.06213482 367.0559939 2395.41539 701.2467252 4977.077354 2808.963953 9000.522557 4095.792655 2948.429249 1978.780698 709.7252433 997.5826143 962.5608123 1326.318619 2073.697957 633.8959093 703.3200723 0.838119679 4.07813e-08 419.3729123 4.07813e-08 3372.226712 108.2131513 3033.456313 947.0250467 4.07813e-08 3172.043075 115.3399021 4.07813e-08 1139.379431 12.37561389 417.342844 479.5636932 1284.970499 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1338.824061 2165.803514 981.2193882 79.34340909 132.3980236 1558.791009 890.8362885 303.5666787 164.4674678 Oryzarol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 158.0687619 205.1632804 263.6320727 1511.202974 112.1415468 4.07813e-08 3339.950355 1864.878832 4.07813e-08 4.07813e-08 4.07813e-08 92.94745318 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1686.440854 3167.773322 1457.763392 2854.426698 3399.653185 1004.120185 455.8586382 4320.577139 4818.574396 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1869.050764 4.07813e-08 4953.065471 4.07813e-08 Docosanoylcarnitine 5647.299014 5690.969959 3930.726012 5896.521789 6650.977432 4830.01446 6056.065554 5747.52507 3651.032743 4022.00708 3353.381842 3582.833595 4408.60203 4292.634137 4237.221159 3115.545354 2274.156207 5393.793811 3882.427595 4119.755052 2905.386773 4676.800253 4225.286532 4722.557152 3561.454501 6463.886792 4841.19726 3569.611354 3685.612586 4820.237221 5287.272283 3918.527725 3317.023006 3883.865367 3717.930109 5156.127617 5380.182833 4518.854657 4218.011687 3967.258178 3149.095259 2122.898914 3937.829997 4957.948197 3102.226946 4057.413804 5472.035634 5282.775277 2880.766672 4592.77449 3643.498577 3421.60527 4075.427903 5034.215922 DG(15:0/0:0/15:0) (d5) 135128.3546 133557.6452 130827.7443 131723.4971 137053.0052 117195.6277 120791.1535 101844.7129 124829.0353 79705.44856 82926.44165 83159.96462 85438.64845 87040.24082 73920.99113 96869.40068 80794.93355 93297.31236 113668.3674 86446.42779 92207.25604 99056.97952 87409.89888 89547.95008 104412.0725 100888.8602 104222.95 74259.75291 90642.21629 106832.0499 94409.14332 87131.89556 84149.6864 82207.73614 91219.46809 96753.94763 99621.0891 97961.32603 104683.7129 91723.67541 84468.50963 93533.5715 87522.06332 111733.0133 94792.76807 104718.3214 103289.1442 102846.2855 106436.576 111131.7054 72903.93158 105434.2186 102476.0091 121831.3928 PE-Cer(d14:2(4E,6E)/18:0(2OH)) 183383.31 218488.5497 243415.4026 257505.7296 249253.0211 232692.7959 244977.7608 81211.26436 112542.2502 168293.26 162476.2552 148600.7874 155354.1813 184901.2735 135535.8431 104912.435 72091.40747 103917.3933 165589.5063 171086.9334 155469.3036 165262.8945 180650.597 157715.5213 78656.92338 120238.45 156571.0244 128903.2903 167664.5885 201862.5404 201644.6598 186500.991 76684.72886 90922.34434 127187.1897 165347.9315 209327.6601 174251.6909 180500.9367 174395.099 65888.89857 101978.8602 118936.0855 166732.0379 191401.5374 197371.1787 191853.6457 188423.1293 66045.43681 118888.5005 86157.73367 166452.711 171361.7284 190293.8929 Mycosporine 5455.846648 6709.459192 5554.351111 8481.854686 7702.364219 3484.77885 6072.463038 3273.033947 4800.589738 7981.135326 5373.289641 4940.160018 7488.582376 1661.506966 1807.550313 6947.717997 1368.116497 2655.826745 9124.40634 9240.778811 3385.867536 3790.685738 6141.364891 5942.207197 6995.752961 5294.332778 5857.911671 5582.528344 12564.74801 16956.59039 15577.17228 11831.90026 7210.948689 12348.62469 5747.193812 14784.65321 15905.23651 7219.272457 5862.436447 10108.13198 3690.495553 6985.900426 7988.859158 8805.829925 7238.393478 9068.656485 19906.58862 10126.08004 10467.94433 10943.57002 13062.60073 14338.12139 25152.6153 16312.33957 2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 1627.971118 2915.527652 6190.789656 6386.031578 2822.658892 11267.14113 9767.897868 7604.083782 6117.061357 248.22251 275.8543846 118.3796679 300.2092358 221.1001414 231.4533356 4.07813e-08 251.8728568 370.0120552 5052.438654 5903.390025 3980.700156 2643.626576 10991.01918 7796.500766 8473.921197 6136.774724 12942.0194 212.9059963 287.2502128 50.76725169 48.83009222 766.6957045 325.7615242 497.7849151 4.07813e-08 92.18379574 4113.755177 3481.146535 2866.048682 3619.855197 3570.693889 8559.113631 6607.115314 6308.606386 9898.774793 9131.896267 7654.989736 9298.125071 3355.2508 2375.043776 865.7848292 1921.079545 347.5654627 9566.694197 Yucalexin P21 4323.766321 6572.486085 3204.692982 6896.608746 2134.660841 2333.956826 6489.761099 4356.041561 3049.117178 2982.454147 1697.942459 2776.579606 1998.401495 776.2093424 2274.529399 1707.994128 746.7612111 3105.308351 1573.927258 871.2667805 2186.820523 894.0018714 2508.128237 1476.527227 1518.035607 1873.66902 2528.095174 4312.788545 1744.72231 1904.560461 3542.556702 1018.892274 2367.033913 9389.536978 1495.64898 1479.940233 6675.813582 1496.41201 4187.172423 1858.7305 1418.411141 2293.507881 958.3853363 1748.272344 1863.883424 379.0612024 509.9011281 2091.104248 3366.250836 4220.975325 3216.072293 1925.471003 3578.206297 1091.586867 OON-PI 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1167.96948 4.07813e-08 777.6951227 2451.048901 380.2696165 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24019.86524 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.68584207 4.07813e-08 4.07813e-08 1147.251458 5987.37285 7755.756686 8784.763334 12809.56299 7649.282867 3487.456048 4.07813e-08 29541.34604 127.5036188 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16082.94127 4.07813e-08 1813.024026 4.07813e-08 Demethyl-desacetyl-rifamycin SV 4.07813e-08 22009.88416 1652.479593 1747.586243 4.07813e-08 1719.271296 7348.298154 4630.617695 8351.295934 10238.9494 5914.728125 5864.083865 9007.994343 5550.023421 6505.510916 2685.711567 8186.858536 8816.127213 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22.1880612 4.07813e-08 4.07813e-08 54979.54783 4.07813e-08 7318.39676 7640.206585 8520.565578 7545.676942 12318.62463 7799.547738 9229.497525 5902.326392 5218.574245 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73207.47234 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2556.347197 7459.4405 12358.14555 3252.565227 8380.840717 1786.094421 N-(Heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide 3151.462616 7809.284745 2538.202726 4539.674346 4842.289685 3487.86243 5441.104203 6750.643489 7892.753969 2155.797129 903.3284292 2439.547855 2599.58676 4617.565996 2051.061455 4737.605066 6307.68165 4807.068439 7339.823164 7854.284733 3838.14558 6376.729542 8148.077941 10227.11069 7681.107788 9308.105008 10176.81596 5231.237758 2401.212039 4843.459055 1314.150926 7187.110452 5704.788819 2994.411952 5492.055151 3984.4645 11122.08889 4874.952764 3123.284847 4149.26775 7178.210645 7265.968576 9378.988102 9159.993855 9699.340146 9713.865312 7900.4185 6007.729103 5980.820868 4764.720431 4216.941528 4698.870732 1321.256346 7503.607074 Nalbuphine 11737.39555 14757.82744 8927.37496 8492.450726 9112.183373 7484.349341 12873.56774 20426.80151 11561.0692 2730.712448 905.8394825 708.6574281 2470.577784 178.6474201 1041.20401 1154.116658 1007.234912 1258.436149 2950.853411 2151.381823 5798.140368 3172.667935 3884.16944 3881.308334 3317.810407 3949.787792 4120.362293 1583.559929 667.365956 1221.945673 533.1768997 267.5263936 1279.649506 3267.878836 673.6789671 2018.525557 2893.431494 4990.436644 5783.793121 5754.612149 4542.332224 4914.49091 3442.80268 4142.548463 3494.68169 1869.122147 4805.970424 4458.75218 10065.06388 12578.74248 1676.191159 6414.691843 531.065099 3020.830468 Ketorolac (tromethamine salt) 154.9265151 560.5966415 470.5561628 1069.274893 187.8050746 377.8445799 444.3731337 483.7194498 296.1135171 375.3944126 303.7995548 4.07813e-08 92.83916817 186.4605406 4.07813e-08 4.07813e-08 4.07813e-08 144.7809626 576.4650644 1142.675379 1032.301754 1321.061973 634.2092619 1384.99519 1332.540703 852.3531562 1361.818675 167.244444 485.0636881 185.8763984 4.07813e-08 111.2317439 136.2539405 189.3738721 4.07813e-08 4.07813e-08 809.6144792 1132.770911 823.0085966 1280.554432 1140.589991 1082.370114 1618.216981 358.7104541 1347.050531 1489.534349 468.3844372 934.2820934 1229.853234 512.2505012 424.9563792 1073.611368 4.07813e-08 135.3712986 N-Desmethylnefopam glucuronide 4.07813e-08 844.318128 4.07813e-08 1002.866619 661.1364982 4.07813e-08 322.6403551 328.8679676 1056.715036 2485.774247 4641.406071 2260.736004 2125.137238 4534.756439 719.0095286 3795.6847 2670.517124 3102.853424 138.2811406 4.07813e-08 1188.260701 242.7577616 661.4527278 4.07813e-08 563.3908514 1320.16199 761.8676254 420.6058132 4748.842887 13866.99812 8097.582946 10207.1441 3302.807775 1397.150785 1102.831729 6858.63279 273.8608707 131.5676116 4.07813e-08 1746.240343 4.07813e-08 365.3278321 4.07813e-08 1047.397155 4.07813e-08 166.8879375 4.07813e-08 152.7452517 272.9891285 189.9226011 5787.906916 255.0049013 14299.46017 4.07813e-08 Malformin 452.4430381 8193.33744 531.5964659 1827.998504 201.0775918 402.4719635 2215.871701 4779.903299 3446.414361 45237.23769 49718.06373 40471.15012 55725.10545 31333.26172 34374.21364 24979.14258 21052.0204 30509.20272 530.1870022 269.3598746 385.9726439 232.8309976 664.0454813 4.07813e-08 4.07813e-08 320.7314706 228.695705 37258.9081 44279.61814 47246.85008 33850.79836 36372.52053 40586.82114 51437.63068 18090.9307 38510.9807 295.3447008 1027.197564 534.6112355 21.73078902 4.07813e-08 2.472594268 0.46415517 1056.109451 4.07813e-08 74.06910485 1278.353708 331.9595805 3902.108123 5918.03772 50741.18893 1451.430052 49557.22934 879.2487939 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 775.7759277 14817.30546 10657.35579 2774.128775 13456.33629 1969.453263 9396.347571 2177.651062 6075.502467 3425.642568 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 565.6265941 4.07813e-08 5566.220307 5482.611151 3092.492249 5652.12554 3415.299423 3084.724475 4451.075042 9824.135162 3060.809394 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3961.758019 4.07813e-08 10825.33392 4.07813e-08 Rosmarinate 4.07813e-08 446.5377066 4.07813e-08 132.6972481 4.07813e-08 4.07813e-08 355.757588 125.2053449 4.07813e-08 11280.07677 9947.415347 9514.428801 9052.726081 11150.2284 5148.677491 6684.953934 6398.172746 10502.43462 4.07813e-08 4.07813e-08 4.07813e-08 227.5729219 4.07813e-08 4.07813e-08 281.3115156 4.07813e-08 4.07813e-08 4416.260873 5798.924698 11583.0633 5015.954181 6140.052485 8966.640239 4922.329422 8132.775006 10058.3555 1355.897691 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 158.1611054 267.2531401 5887.958196 4.07813e-08 4710.317171 200.0914196 Lamivudine-monophosphate 6687.227807 6187.737442 3730.800932 4355.424845 4432.212903 1662.988861 2838.687955 5403.3355 2578.2088 272.7380037 297.3549935 252.1966718 347.3507997 302.6775 855.6325925 811.4983715 1043.756215 455.7664072 7068.520205 1772.816453 3047.645002 5124.613415 3499.664666 4.07813e-08 5819.239453 5594.785548 353.5071113 281.7528119 696.9381574 585.4550247 613.9489911 676.0015995 699.4797383 624.3180841 847.5356283 260.5094997 7031.507727 2319.828771 2923.491827 368.0852934 6086.108371 8855.063333 4.07813e-08 3332.991461 7836.452133 4.07813e-08 4.07813e-08 1458.954822 7039.394643 3771.232696 722.4773908 2643.678554 165.9893929 2064.119935 S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloct-7-ynoyl)-5,5-dimethyloxazolidin-2-one 6995.135031 8790.568802 4968.903562 7486.995247 7412.523181 7610.955825 8536.441856 15787.23853 18997.00649 3862.574096 3451.535531 2263.599539 4519.406308 3056.577432 15151.1106 3129.197935 10334.59196 5173.643164 3512.168683 4066.818887 4784.511086 2343.093412 6292.723678 2864.493656 4845.025274 4139.547385 5719.338576 7938.660968 6118.137511 2373.63815 7405.104431 3087.805297 5528.565882 7193.777514 8109.720486 5352.082339 3341.207874 4374.218264 6425.921348 4572.281983 4441.172612 5339.251019 2519.544638 5279.744467 2746.258343 5042.327078 12182.41165 9234.783625 7452.125117 13967.78429 7420.181668 8874.158488 3869.423558 4630.577896 Bepridil 103803.2622 119669.8286 121405.1858 113408.9173 101274.3731 85054.09181 111902.2292 125496.2053 87872.88483 78183.95698 63029.08054 68169.10721 79585.23485 62824.72045 66961.44055 111635.8639 68493.47238 82226.16788 97622.07764 80396.22652 57692.18288 83927.48698 67455.88852 66751.19613 74612.24108 92412.94981 96166.11869 42235.8739 69595.9144 71102.03428 65841.22968 83957.21514 54325.939 50175.55285 83457.15374 70371.94493 77634.15373 84930.6128 81380.61604 62933.48785 82265.83422 79877.98632 78939.84338 84845.24397 85858.07381 89172.03034 72923.00539 92733.04398 67484.0089 82347.25818 51008.07239 94408.90339 77107.07708 118115.5051 Bifenazate 5794.521873 5850.994374 6574.704263 6229.099131 6446.227309 5941.6038 7047.369071 4965.805436 3728.926624 2072.94695 2330.207006 1209.419422 1950.690062 1035.775872 1786.184009 654.0427771 1897.019823 1812.476555 10499.78427 8488.265415 9754.549894 11319.28613 10011.94322 10004.33155 9754.949742 10474.12839 13174.83 2020.425552 1862.356875 2112.97379 2641.329834 2969.047165 2124.53104 2575.200384 1505.573261 1091.542083 7839.373954 8247.027413 8558.868168 9916.92298 10625.04573 9024.88254 10197.89906 12646.20096 13652.94402 9098.066656 6532.692988 6833.101564 6991.943229 7658.98809 1652.707631 6536.890822 1474.323426 8125.716054 N1,N1-dimethyl-4-[[4-(dimethylamino)phenyl](4-nitrophenyl)methyl]aniline 982.5008044 229.1954367 1197.323793 1563.449176 1178.105916 822.6821387 623.9145845 638.1728275 814.1133174 38502.96281 62886.61156 48539.2199 37771.49975 19882.484 89196.0561 69755.91027 26093.35479 35637.71367 4172.264259 3617.395356 2027.097624 3802.117223 4184.352959 4519.25963 3471.508213 3854.308911 2785.512601 22072.87397 58913.83241 20380.88964 41323.66879 24399.11871 36939.60054 70469.84881 27151.43639 29311.37872 3891.579197 1965.083237 2619.890294 3401.374848 3725.468078 3629.565949 3904.026253 5040.394259 3984.864768 2525.868333 1388.90466 2336.049894 1973.445357 1619.609259 28984.21222 1506.165071 5099.179203 2171.24997 8-hydroxy-17-octadecene-9,11-diynoic acid 3134.330587 1809.507863 2328.649624 1015.302537 3035.306057 2983.828297 3786.547821 2507.308344 1446.720701 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7508.359539 6557.24586 3529.863961 5785.891698 9571.048321 10831.10321 8140.30529 13492.07142 12184.8765 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4702.230039 5659.241371 2680.481267 6236.740385 6742.940173 7973.997057 9423.015287 13436.93999 11441.67792 5999.324428 4233.076158 3363.514489 2666.823381 1449.430562 4.07813e-08 2803.762347 4.07813e-08 6305.174119 alpha-Antiarin 564.9798163 2042.170252 365.9127061 1160.536354 636.4865849 1101.219708 710.8566456 4.07813e-08 2009.367039 8597.435885 10025.69488 13991.97235 6989.848027 11541.20819 7344.807279 15989.15815 8113.044027 14728.00066 1474.042449 1116.682869 958.3860179 1234.825659 4.07813e-08 629.312629 254.4589411 1604.852517 935.2326857 5435.138484 3090.827864 12998.16847 7897.863824 7292.910238 13847.9019 17500.43928 1632.173645 11919.80901 1603.210245 4.07813e-08 1017.429326 1504.310021 524.8343 4.07813e-08 4.07813e-08 1173.739257 2773.622909 263.8004684 442.603668 289.3820007 4.07813e-08 648.5728252 12177.81125 273.8849504 3859.571613 4.07813e-08 11-hydroxy-4-methyl-2E,4E,6E-dodecatrienoic acid 3297.850575 2179.301548 2612.800152 2066.878605 1895.688045 2760.013859 3069.990446 3441.278111 2235.223412 598.8743789 294.9347821 561.7524187 404.4636183 517.373259 285.6590178 590.6111587 444.6711746 423.4201047 4108.287265 3595.281575 3749.87557 3279.805744 3864.617638 3534.960555 3293.780466 3144.553121 3664.267269 132.9334148 382.3750663 1200.72691 619.4351462 926.6677408 621.3007472 520.3872657 1585.898703 451.8810471 2070.673571 2562.57811 2436.881837 3927.962649 4243.538613 4122.81403 4502.655605 4101.42904 3869.014252 2591.737842 2100.291766 2650.437273 1720.933447 1843.75155 62.12840456 2911.989548 356.4403552 3134.381006 3-hydroxydecanoyl carnitine 4674.55732 2844.882396 5248.172149 5811.465689 5715.852964 4847.563185 3671.865051 3747.220851 3650.709214 437.0651331 1009.655473 794.868378 737.0641753 1390.181275 928.1242726 315.3754234 720.7385798 1417.118856 2863.256022 3077.788113 3245.89874 3414.452481 3150.039645 2968.875536 3888.770367 3159.718592 3971.942175 194.4729137 523.9876847 1175.94042 482.6644214 522.3102976 609.2955198 482.6173147 433.8629479 1242.23112 3491.319936 2339.948397 2044.279611 2162.251983 3451.622965 2973.872273 3359.620237 2813.683387 3565.964031 4540.933325 3096.871985 3628.68101 2795.867622 2171.32088 738.1929195 3302.401708 513.7556206 4402.059791 11,12,15S-trihydroxy-5Z,8Z,13E-eicosatrienoic acid 45455.06579 31317.71157 17110.37814 830.6483336 527.040241 3087.283835 13935.30154 31035.73827 44057.29395 14929.14695 12956.01931 3921.183608 17481.65448 1004.615852 9191.24938 2151.050614 20204.72897 17290.1577 57412.24614 23590.21243 50282.98202 48259.2305 24507.54079 897.9442307 36925.02063 18430.74168 45530.9379 18664.87323 19635.65019 972.1972338 18400.87559 21325.03124 9680.899701 22243.85786 4807.348357 1697.453829 64123.08353 32506.92118 51339.64058 8664.242658 40513.26715 41877.83726 1207.044685 28667.75507 13746.56331 4954.259087 18422.60543 22911.96579 53142.97467 40983.09485 26236.04752 38974.81543 19297.92242 8581.677372 (1S,4R)-10-Hydroxyfenchone glucoside 3933.646041 2417.822628 2316.979494 3173.961109 4295.523009 3582.14984 4904.119236 1758.936762 4109.121404 604.3882289 1255.527038 415.2800624 830.0253275 813.5812941 392.0159917 750.6212712 987.7997117 1171.799738 9794.259755 11685.94208 8467.910271 9459.173165 14114.90612 9852.055504 10220.59962 3787.963919 5910.190739 995.8903578 1191.841348 905.6579562 412.8655777 1444.25431 770.4932264 834.0547234 907.6906204 522.6063831 6365.826534 9835.531091 6799.066292 7745.758978 9943.596351 13699.41766 7983.555962 3668.903794 5677.994711 8575.284682 6719.57943 9831.388984 5875.232707 5017.944444 978.3659489 8292.709317 492.7178064 3726.090472 2-Hydroxy-3-methoxyestrone 21352.5999 21561.99889 21483.46944 27744.95173 16534.58516 18511.72366 19693.94473 22009.21884 22589.65856 17074.60445 13070.40216 17237.93631 20328.95056 15714.14865 16353.20362 18494.92113 20219.65248 18464.43041 16965.48573 15978.27306 22359.78393 17780.7127 13764.44503 11912.26113 16745.70827 17210.50973 15913.10231 14806.6284 18643.97836 20672.55822 17822.87052 17525.7709 17182.97485 15247.37347 18595.578 20348.03204 17409.54041 15366.10674 13789.30834 16071.93384 14432.91028 15307.33381 14624.49381 15751.33692 15286.1353 18553.79568 13934.84868 14323.4532 15716.51274 16408.00934 16678.59935 18679.68708 18102.735 19571.31148 (4Z,9a)-9-(3-Methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one 4270.690073 3029.860439 3117.071336 1828.744818 1610.871832 3038.322285 1725.830936 1936.51601 2169.921223 973.710788 817.2275935 185.7218255 1170.683639 403.0687131 490.7715896 542.9760569 377.8206714 108.9349806 731.0776577 1091.754323 1533.677103 1176.486973 1366.954518 1077.628782 1169.734705 855.9233276 2584.770057 308.207808 173.2500891 569.0404827 331.5355788 8.321840891 498.4594174 301.1475488 687.1605284 754.2077582 1545.359486 1223.166428 1705.715746 1088.982183 1039.946957 645.5902686 1110.670789 1456.045925 1587.740187 592.9768342 870.5852504 588.2490085 244.8310706 1031.216204 117.428736 255.9234169 222.1687633 928.8714114 3-hydroxyundecanoyl carnitine 2378.017021 2364.457706 2130.099093 1403.566414 2297.388 2214.326432 2672.935283 2771.066796 2103.136844 1955.57424 1651.19887 470.1095997 1687.767222 819.2655948 3448.374577 668.9893531 1380.540303 922.2390319 3397.898964 2861.38989 2970.113625 3173.86639 3255.600078 2872.195734 2252.346333 1937.547425 2549.427696 366.1887107 840.1383828 774.9471736 733.9591256 1439.584172 1227.995514 814.1496442 771.469115 459.0215693 2026.611035 2593.193223 2313.963034 3055.554501 2432.701145 3183.137642 2738.906686 2518.24129 3633.046856 3381.372691 3216.542182 2316.499643 2397.91694 1677.437245 1255.690434 2684.850902 1249.849503 3060.53435 1-NM-PP1 4709.313928 3395.247836 6409.054754 7693.513085 7407.477886 4301.47537 11473.77846 1556.3191 3684.275827 298.8051548 1261.636709 2127.200646 767.6616961 3215.007031 2714.24329 1839.589387 2182.45217 1671.915997 4550.274268 8839.560909 5630.938056 6647.310758 8621.543914 4777.965559 5666.517087 4.07813e-08 132.5905832 121.449876 426.2865735 9442.654119 1636.527065 3655.504131 894.9779905 1549.123072 1284.448024 5213.358735 5076.347426 7020.245468 4858.243736 4479.663299 7069.945652 7045.235555 4372.995788 167.7212132 1127.114069 5426.844159 5722.484818 9569.5466 4463.765016 5046.941019 1024.66993 5926.952329 4.07813e-08 740.1410583 Licoricesaponin C2 845.9916529 4.07813e-08 363.4639358 163.7362716 4.07813e-08 4.07813e-08 361.9089616 977.2482221 4.07813e-08 18159.5837 4473.514564 1220.390269 16978.13947 13549.34772 10252.97369 36743.60296 11159.52164 10468.61619 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31504.64086 1795.309453 4810.935366 38199.2854 415.4314624 5300.053933 40329.56638 35869.01886 43720.40115 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.96223821 586.9233712 4.07813e-08 63.40269696 4.07813e-08 2010.548498 4.07813e-08 7839.446121 4.07813e-08 LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z)) 4087.053587 4201.0875 5031.386246 8098.609793 4534.136061 1386.448084 2077.933137 801.8076905 4.07813e-08 7396.403062 5505.536505 9148.211033 7172.106674 2733.524042 10720.22191 6253.23873 4.07813e-08 3419.748627 3455.371436 2214.977095 2740.83842 4112.680185 4.07813e-08 4.07813e-08 1775.635395 4882.0463 278.3303406 5571.154416 7173.178207 10099.90159 6372.553872 15087.10208 14480.57891 8894.680098 5376.435684 4256.349562 8545.148455 913.8837747 4348.931785 4.07813e-08 2847.808666 1063.968812 4.07813e-08 4325.662324 4.07813e-08 4.07813e-08 1217.678257 2411.38953 3839.969876 3888.483676 9760.4289 3064.260003 6992.854008 227.6812514 2,5-Dibenzyl-3-hydroxy-6-methoxypyrazine 7784.786645 8867.253297 1006.16943 269.2112116 349.3471144 3043.970852 1467.073767 2755.499283 2542.156946 18147.07998 166756.8616 96112.43656 13749.10997 123980.1181 98300.06983 299063.8176 390739.0799 14003.1826 4.07813e-08 24.18996274 243.397572 1407.483388 2.942596587 233.837633 291.7203297 4.07813e-08 138.8529585 448870.3898 81791.39032 84076.3405 52377.28346 122040.5684 135914.667 83630.31854 536398.0307 61777.90922 1682.729766 793.7544986 1327.702438 4.07813e-08 220.8426835 28.13930987 4.07813e-08 317.8391412 598.2098017 577.9611528 8097.341912 4950.69169 4074.556019 1602.148888 40845.75495 4157.85052 40780.43278 4473.848672 Pentazocine cis-alcohol 578.9894877 4.07813e-08 802.4020139 247.925836 1133.157478 756.9937071 635.2712814 838.5425812 558.6260303 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4699.660186 3252.901952 625.1900544 2727.773882 4105.454996 4054.673408 2849.691983 3372.112762 4058.190632 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1169.647191 1893.70575 1166.043069 2109.422744 3694.331779 2486.710436 4955.196004 2806.702528 4633.637353 2146.019359 1488.969167 1176.323069 410.6996505 593.2768774 4.07813e-08 921.7748682 4.07813e-08 2536.788244 Glycopyrrolate 5623.746544 4291.294183 4521.70091 5677.348648 4787.548825 3413.991449 8944.959605 1590.139897 2794.853459 354.0058422 300.7305324 8.428607024 754.128571 244.8352977 737.5185835 296.2429938 4.07813e-08 175.4338214 6163.21112 8217.942158 6346.837699 6684.895059 10579.64161 6170.278659 9649.314747 4185.286495 4112.101195 116.153349 311.4976209 315.7274367 270.5823839 296.3361756 582.5769189 221.4561105 305.5023109 207.3695665 3149.377646 7348.568459 7076.126426 4972.993943 8264.279948 10778.77021 6029.013239 2742.410045 5721.227378 8237.432721 4859.622649 9830.772807 4255.495617 2426.422346 604.0456122 7066.552949 113.0332175 3865.635928 10,11-dihydro-20-dihydroxy-LTB4 7299.078898 5463.81962 5968.360078 6031.282114 6109.147916 6534.505251 6832.677424 5627.03725 6187.571211 597.2667894 2832.173757 945.6832141 2065.67295 567.3562811 891.7602713 378.2974954 4.07813e-08 2672.77453 12493.31868 14054.022 9698.050775 10952.84334 13711.06434 14083.844 12211.24271 11264.63025 9585.906508 4.07813e-08 1126.567748 156.935061 597.1185849 3030.981283 1219.834926 1180.798929 188.7587788 220.9309741 7192.915106 10364.79967 7660.873831 10404.89004 13202.0985 12294.59912 10818.95508 11533.82927 15066.44928 10832.19707 8449.314619 9470.159991 7366.58006 5454.35683 3264.924697 8654.737977 844.20991 6913.111087 Norerythrostachaldine 14270.10511 12366.91681 11804.24135 10758.75998 19570.31037 12758.86152 13518.21619 14457.97579 15554.51268 5968.752801 7515.342119 7704.128626 6304.469921 7067.113958 12732.16667 3059.644962 8021.300763 8736.744976 16344.77406 17719.86767 15876.68384 14492.49893 19939.69169 16428.68228 17254.78876 18267.17799 18006.95497 793.990263 4820.695497 4736.307875 4496.215495 7160.224144 4797.961431 4108.421538 1529.208116 4907.62432 12246.75403 12867.75546 13203.13092 19310.62576 17271.69053 16464.26294 15306.75024 16075.02192 20701.28119 16614.67029 13444.76504 10453.6114 13208.28553 13235.69706 10595.62481 13506.97313 4950.866109 10820.77546 Ixocarpanolide 484.8397095 239.7379542 4.07813e-08 38.12515641 4.07813e-08 782.1375269 1310.46613 774.6403155 718.7936864 4.07813e-08 4.07813e-08 4.07813e-08 134.9046228 515.4827253 248.8021714 4.07813e-08 125.6386965 245.4721108 2959.566034 2670.331033 3114.831994 2451.503241 3331.90788 2573.002414 3008.734653 2507.117454 2341.29265 131.182936 4.07813e-08 4.07813e-08 4.07813e-08 408.7284136 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1169.435495 2151.109556 2314.923998 3111.039949 2980.762176 3050.689858 1467.239015 2997.667959 4881.054319 1753.262913 1396.170258 2370.429196 1777.894301 1283.939124 428.5704413 2329.043681 4.07813e-08 1225.721776 Simvastatin-6'-carboxylic acid 214.7182604 718.4790005 377.1202194 4.07813e-08 741.2294519 4.07813e-08 191.2659807 715.7832099 196.6905682 5390.365512 6139.156556 5234.721843 4304.171453 3240.698067 5958.224609 2025.431547 2054.309564 674.5356983 212.7378576 518.7725449 4.07813e-08 506.4078409 178.1885344 295.8757433 132.3775905 695.794452 418.2723045 4760.644723 5019.145235 1311.375443 4842.754795 4893.740395 4665.004316 5072.927391 3691.655972 3208.282181 1791.676247 366.6647997 889.7811421 469.7337969 4.07813e-08 436.6274243 4.07813e-08 728.3368131 765.3242181 4.07813e-08 4.07813e-08 341.2138929 4.07813e-08 4.07813e-08 3366.119004 4.07813e-08 3078.86892 647.956466 Madasiatic acid 5321.851275 2912.128853 4761.682019 28153.95829 12339.52719 15536.73383 10417.25677 4868.429911 8457.303928 424.3542533 896.0846719 2783.397065 1324.81212 3059.8021 3224.171303 4.07813e-08 4258.713837 6829.950348 16257.14369 11426.45257 9042.117539 29684.87242 17109.41674 23641.46581 12464.58517 12236.50535 21756.50068 576.5259388 494.9394734 1983.666234 1537.364311 1076.251613 1233.053761 122.2490582 626.4465497 576.7748948 11146.27391 7765.60391 7362.340509 22746.55825 30381.36958 15289.52466 18403.86943 12155.21536 15400.83328 12025.89537 10671.86555 15727.94617 13355.01422 7961.200904 1368.294492 11599.18131 2462.908618 12190.67544 5b-Cholestane-3a,7a,12a,24,25-pentol 300.175736 4.07813e-08 772.0153109 159.2143905 4.07813e-08 1012.044924 529.4380571 1025.382914 2622.000656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7823.143694 1270.278257 755.3727148 544.8092772 3918.821585 8980.118096 2883.708814 4055.733338 3947.069727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 425.3245342 906.2041128 556.5187574 287.6764061 1122.034857 295.6366336 6651.211988 3950.595473 3922.501106 1099.241673 2230.568505 609.6570214 4.07813e-08 233.4446187 4.07813e-08 2011.760096 4.07813e-08 3079.155719 Triapenthenol 11669.7682 16559.67601 12729.15443 14216.24343 13359.24916 20834.3222 11115.66815 14620.12826 27110.14415 4.07813e-08 4.07813e-08 12.60676226 4.07813e-08 4.07813e-08 42.20415048 4.07813e-08 46.66609702 68.29929146 3781.62057 12751.21916 6104.592874 7286.172653 4722.109407 6070.350978 11413.22522 10234.86975 6859.820551 66.13708417 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12.55298781 4.07813e-08 4.07813e-08 4.07813e-08 6144.702259 10896.83861 8393.623029 6755.905786 8303.13343 6491.896367 5887.410918 11308.15381 3922.841792 22757.86802 6362.639169 8947.149319 12204.63912 8332.102762 4.07813e-08 5728.141677 4.07813e-08 7241.254619 Sphingofungin C 12376.23364 8159.479324 8736.906563 7425.648241 9857.250164 12127.91471 10906.81779 12619.15285 6418.448878 286.8212719 318.6716026 442.335849 94.39785707 1036.180665 801.1270692 111.4332596 91.17661692 1624.246715 9566.860343 10230.71439 7553.857539 11230.02129 8771.934903 9298.105466 7461.182479 5255.315029 5288.830194 810.6869648 95.72163109 188.3272127 172.9095893 467.3991166 124.7888675 151.0136888 212.3469582 20.0838358 7455.314003 7424.310209 6342.90563 6683.589127 9086.682804 6085.611904 8451.80094 5825.571618 6685.506574 8960.724063 9850.951672 8110.962541 3147.381862 2663.112929 1269.312063 6762.753696 15.96551866 5893.302134 MG(0:0/21:0/0:0) 564.7210669 736.4117053 913.1265391 3204.541269 1249.189837 1884.681966 5501.368773 5077.878219 3697.134631 259.7414071 4.07813e-08 263.2793398 4.07813e-08 931.2620023 4.07813e-08 4.07813e-08 310.7967585 164.6300869 6238.369584 13201.16375 5528.446317 4680.067329 7560.296795 12022.65615 3228.772434 4462.787323 3967.447418 4.07813e-08 107.0291658 364.9232117 4.07813e-08 263.4208916 119.8487102 4.07813e-08 148.1932739 4.07813e-08 5398.329124 3638.93063 2784.147441 1866.210772 4134.084752 3421.835493 11994.44327 3963.422735 3092.708861 4425.442215 3411.246547 5469.922705 5461.606214 3048.395506 226.27492 4283.109195 389.5538128 4502.259504 (25S)-5alpha-cholestan-3beta,4beta,6alpha,7beta,8beta,15alpha,16beta,26-octol 2850.435021 4205.663104 4377.064869 5220.531414 3545.205838 3272.127253 4322.470984 8695.729171 21422.50433 967.0339254 358.3846498 6651.900362 1284.779761 14103.44386 15605.43931 2792.210969 28292.52786 18740.61414 3684.193215 10073.41724 4879.107516 3880.984202 2525.123289 2729.510124 3335.881716 2799.304633 1272.958756 16632.36496 1782.387293 275.87807 3132.491409 4.07813e-08 4013.021445 1262.236277 6360.868183 4.07813e-08 4914.126998 2742.592101 4881.083323 7604.35204 5094.297669 3526.443791 2975.840714 2758.727999 1746.476403 8368.762406 3923.555949 7094.079218 9779.55292 3326.215143 1904.815786 2980.107325 439.7472971 2894.164318 Bryotoxin A 3402.811488 883.2876795 4.07813e-08 3415.654766 836.1356279 3127.413907 4153.905619 4894.949431 4922.832023 266.94356 4.07813e-08 1206.89959 4.07813e-08 4256.74964 6082.368693 6894.185761 2012.940688 4.07813e-08 4.07813e-08 1004.65602 4.07813e-08 634.0870179 4.07813e-08 4.07813e-08 4.07813e-08 361.5041117 4.07813e-08 3819.117609 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 605.1559143 2235.233372 1179.13957 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1172.010395 267.029129 4.07813e-08 627.0344678 1304.182325 1292.10192 270.8524576 4.07813e-08 2758.964728 4.07813e-08 3887.140002 5-HYDROXYIMINOISOCARYOPHYLLENE 388.5428101 4147.884518 1908.047611 466.345972 1122.710972 2170.507118 3091.699838 1389.825214 2249.104225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 145.8090439 4.07813e-08 1333.240315 2333.390404 1820.391518 1861.380505 1668.950983 1494.106971 3220.696903 601.7722383 778.7934343 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 585.6024381 1936.916829 1141.99285 2178.70085 1891.271476 1717.490215 1872.690595 278.5986552 278.8840649 3723.402511 1390.225921 1692.510705 1364.759122 1202.791854 4.07813e-08 1530.669463 4.07813e-08 1104.147994 10-hydroxy-16-oxo-hexadecanoic acid 7392.727488 6980.960078 7655.893876 11499.4135 10523.54539 10484.84975 6278.020975 4399.478395 5613.659984 2594.160983 2965.784621 2492.932924 3916.292091 2299.74343 2681.188773 4609.811381 1597.444387 3561.212729 5300.826042 4595.739624 4184.631079 6443.400822 6463.054034 6081.810752 4755.80396 4501.513023 4825.220223 3266.496431 5447.873253 4932.25819 3483.062712 3084.309691 4593.858163 2320.084837 4310.303164 4771.37589 7184.367609 5163.245186 6745.550875 4949.709118 5481.956922 5147.360823 8027.888619 5534.890473 5883.479619 6728.261603 4476.781077 5261.960528 5355.175466 3787.245655 2918.366279 3883.608209 4239.430227 6460.493558 {[1-(3,4-dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propan-2-yl]oxy}sulfonic acid 2739.69902 5150.1393 189.9221562 4.07813e-08 625.0360573 1469.466911 785.3798719 3379.635296 3450.239577 16762.80966 4915.734069 45221.37514 17852.98081 76989.37936 51347.48613 37612.296 91392.76368 56859.43074 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30312.15348 26795.95251 6476.835186 30285.60138 11690.92087 11461.66887 23642.83661 46325.99837 15078.33851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14214.29535 4653.832739 15756.0199 6066.70217 20655.10276 3320.278771 11272.11231 7942.656867 (E)-13-Octadecenoic acid 1420.893608 1755.445338 1854.523016 1539.840009 1608.306295 1492.049961 1301.665053 1744.764125 1632.681759 1141.035647 851.9581189 865.9717019 931.2796978 1362.323495 769.3711451 1635.856966 1233.29851 1266.631116 737.7987655 902.1815702 809.9497208 1351.45119 797.0496086 1143.594084 1546.142378 1685.661916 1530.429879 1094.834446 1165.916544 1199.981138 1070.970926 949.9291258 1296.120973 1046.104478 1165.423717 1619.768143 1263.784955 1075.133337 1176.360404 741.5482213 1448.907467 1486.165236 1131.912505 2022.025512 1186.367247 1342.016062 1106.574397 1012.939008 1383.57639 1253.926311 1224.507702 1148.830036 1188.237088 1475.428771 Ibervirin 47951.2958 39845.62493 42459.9391 42807.75952 36916.81391 28633.23056 39363.42359 40639.64412 47029.83653 15363.97741 11990.53651 24092.42714 20486.42108 14859.41523 17356.90688 3928.086149 13943.18388 19047.39726 32974.54567 26244.51364 26815.94175 34554.82294 28226.46259 36444.27899 32645.02948 40964.7259 43794.21499 22675.01184 23253.62202 26323.885 18148.25443 27799.40918 30116.63137 21934.61633 24847.03418 16431.18254 39089.48458 39657.30269 41110.47429 30084.48323 28605.21058 34465.52138 36277.33579 49907.89587 30096.44324 32425.93894 31827.66042 37049.12948 42133.28325 37584.85296 33085.26205 35941.13507 17845.54785 33992.02698 Fagaramide 18767.84462 9028.102816 11918.7981 13879.7565 15123.38422 14417.84805 16775.7988 10941.8181 13648.80013 3113.783653 2888.956915 8115.519937 2384.337472 5357.660015 9063.404503 4.07813e-08 1032.673079 5861.840609 16685.88233 11323.04091 13320.44681 12595.9904 10654.9981 16313.30658 12391.62691 14908.762 19609.48388 5841.820673 9388.775482 9093.725224 5671.028744 6139.193625 10031.25899 9201.205014 9708.139531 3340.787853 18104.27145 19126.55179 19502.65631 6126.702921 10836.87617 12560.8908 13795.99587 13364.01569 8677.043518 11661.80982 13170.27103 14453.3159 19810.65209 15395.35473 8717.699253 14515.49498 1839.531622 15090.78553 Musanolone E 4412.654481 2711.508506 456.6806164 6496.876787 4.07813e-08 3605.724778 2410.030896 891.1044101 6864.534239 8824.13919 20602.17256 19893.31151 9143.161297 9009.47199 12571.02907 19590.7527 12165.52218 2784.789469 109.3553596 4.07813e-08 4.07813e-08 139.3541079 4.07813e-08 4.07813e-08 155.6244292 4.07813e-08 4.07813e-08 1551.207082 10733.9644 7906.736315 12593.75967 2852.654485 6009.129049 16408.13632 14485.6892 11832.71376 4.07813e-08 151.7936563 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 217.2620323 4.07813e-08 10138.24666 1220.408819 4201.580431 2940.337393 4238.761539 3726.479829 22612.20772 1901.515482 5beta-Pregnane-3alpha,17alpha,20alpha-triol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20384.69274 14002.69372 8727.122694 18965.61204 12482.96338 15879.09838 8129.725771 13565.83626 17103.03741 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12185.97264 19751.68984 13314.71226 9765.410455 25154.91701 12530.39376 18348.38414 7901.094259 12568.79166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29074.30544 4.07813e-08 12763.12491 4.07813e-08 DIAZINON 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1625.641242 41188.7449 41667.88856 32816.7853 42587.21626 37488.93926 19958.533 27507.11999 13373.63403 41630.24373 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22882.0223 39472.19502 52684.77821 18915.50219 58511.28997 30319.95258 21150.32963 13463.52791 37544.86781 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1302.576451 40765.30585 4.07813e-08 36199.94919 4.07813e-08 Linusitamarin 16330.76579 30366.56879 48191.53945 64103.93153 9900.024054 402.7812085 8986.984296 4.07813e-08 8336.297212 71.19973549 54.00463777 1994.79326 354.6971248 3314.061496 6346.679343 27.02070732 650.5508144 1.193943841 1724.528163 1731.613326 37405.2222 11640.46982 1624.855317 795.4181083 9388.657542 56473.96007 8279.366477 6712.964571 4052.039802 12825.99215 5325.017886 15886.39681 45251.60678 20763.48578 10655.85031 11583.27837 40355.24347 46143.39387 56455.9442 18467.29927 3352.142746 1846.17644 11.16785795 57212.00122 75154.70863 251.4751942 27.54072168 2832.901685 18667.76689 25991.46749 25570.06215 3750.965873 163.3587553 4.07813e-08 L-beta-aspartyl-L-threonine 1751.800733 1926.878557 1465.138226 2542.426526 1813.229884 3853.982302 3329.434509 1281.805062 915.2348706 6475.328032 7517.31866 5031.076757 8333.277342 3457.952548 4758.465093 5496.603485 2866.840617 4821.312146 4252.528845 6454.697643 3872.827337 5283.204182 6957.945771 5403.124478 3743.334985 2483.775398 5307.724423 1899.401127 3583.956585 3666.965852 4459.57325 4288.814684 3594.254741 6148.7558 1951.051171 3860.40346 2954.252133 4112.127514 2541.431385 5128.122251 5957.856289 4110.671207 5053.371803 1369.286734 7268.498468 5735.717756 2336.770735 2143.333339 1588.49352 1771.422384 6663.344926 1489.146808 3836.513347 2058.374186 2,3-Dimercaptopropane-1-sulfonic acid 15676.2692 15840.83795 19509.48299 14393.11277 15167.08379 12609.17447 13018.22633 12222.59622 12022.9305 7858.718676 6809.266338 7914.964134 8277.292426 7971.040055 7489.955221 12096.70597 7718.545323 10691.62028 11444.85669 8979.07863 9105.566833 10987.33867 9016.435458 9012.835721 9648.622004 10254.10632 10041.65788 6458.498479 7616.562803 9538.731543 8568.931892 9199.064188 6909.834708 5580.883149 9627.041234 9152.813201 11589.02839 10775.69255 11671.52424 8579.964211 8692.096356 9213.245407 9719.037106 10291.33167 10828.94019 12410.12508 11109.76776 11189.51698 8303.760855 9579.420345 6931.333911 9390.406889 10180.06396 14798.48985 Chlorophyll c 49437.09152 13753.44829 51902.5985 30562.22539 189896.2161 17169.19247 12888.31466 69295.4915 112394.3654 4.07813e-08 4.07813e-08 99.41972645 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27502.66576 41128.2013 18764.25268 3769.4444 4988.028965 21410.54016 11424.20552 14118.22228 27736.32394 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16416.69012 13754.66787 39563.62767 47880.43149 22286.64688 39716.24543 14705.58191 503.4825814 168197.5759 20819.86014 66610.13518 27215.80314 18895.56514 35.86875037 76617.74753 4.07813e-08 41640.23729 Furano[2'',3'':6,7]aurone 2551.337676 2064.809009 2419.035287 1965.672737 1358.777155 2203.546594 1344.646951 1986.100396 2597.788091 1018.346176 1101.179854 638.3088919 1085.531032 554.4814281 466.1234502 122.9877777 4.07813e-08 769.165205 5454.408822 6857.476045 3679.973701 5069.436743 5306.226513 4501.43363 3925.42033 2861.003729 3729.19398 335.3565435 1363.938351 659.2621981 467.3539705 1937.844323 895.0221844 2306.960857 180.3636836 4.07813e-08 3571.372395 5960.10243 3366.654015 4501.395021 6403.762938 5098.721244 4579.932739 3552.35865 8306.227007 5700.641963 5176.847707 2632.244114 2598.076296 3016.009848 2908.390596 3326.652408 969.3999507 4318.962883 3-(2,4-dihydroxy-3,5-dimethoxyphenyl)propanoic acid 3906.621801 4506.521106 5227.593808 5706.132545 7039.247092 3631.877866 6686.224765 2395.984318 1890.62573 4258.491445 5166.351883 4056.710104 5418.984528 3328.165619 2424.788596 1646.080788 1565.682388 2687.985373 5532.710808 6168.760671 5724.929737 5375.320573 6699.63268 7442.212744 6325.828923 7263.155723 6990.636009 3417.577226 3181.730542 4288.461397 1565.399726 5400.748421 3410.116758 4979.7973 1798.321975 2709.657227 6371.183012 7271.119595 5054.504381 6255.217409 5518.42644 6313.563919 6647.048463 5050.134149 6634.524547 6527.945702 6285.124821 5265.152666 4682.953828 4470.950022 4502.353529 3515.057661 3292.97862 5372.737049 PHHdiA-PI 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34534.33981 41603.18649 42082.151 40636.21963 39268.90169 32427.15551 22021.30986 25987.96351 50274.4637 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32268.1184 42610.41054 46768.67677 39136.3107 65677.52761 62868.36941 49479.94462 17275.34353 27248.97345 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 69155.3102 4.07813e-08 34846.93689 4.07813e-08 2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine 37674.11525 41723.49402 22251.67913 41448.79942 18764.20363 24591.71902 38978.10931 53185.49099 48919.26684 8631.430598 8406.592693 10436.00346 8640.929433 8907.90944 8217.970207 6045.78526 8430.395874 9785.766313 21608.0971 23075.41205 26714.61027 19200.30682 25115.61037 23552.33125 20989.45147 23977.11137 23968.4635 10929.09252 12597.28108 11389.90646 12880.49812 13097.185 9729.490131 10043.11419 5859.350042 9454.061587 19176.32372 23438.68546 26702.37749 24243.26168 20439.40406 21602.42893 21424.51217 25203.93164 25557.05792 17870.49456 24525.02823 21783.96598 30601.79794 34761.01388 9744.294332 22131.94832 12340.45916 20071.85968 Mebendazole 2308.369583 2096.625036 2769.330053 781.3836318 397.4256632 1070.700293 1992.998713 1896.346967 1464.026261 1090.053733 556.1692974 214.2278456 1082.256654 93.39480698 129.0856009 113.1883945 73.37493977 553.2649339 6770.399074 6285.81416 5917.974236 6206.534914 6804.088262 6571.252551 6030.278432 8074.049356 7178.951846 1542.568586 1229.844381 224.0110806 1701.97697 1251.974227 884.3557086 1514.859432 67.60186026 87.21414151 4259.608014 5680.496471 5842.403198 5999.173623 6722.732552 6290.199639 5411.422481 8805.468456 8781.108946 5058.648702 4098.2704 4037.929452 3696.747437 4774.572824 1672.376515 4594.480498 1101.615161 4488.679427 16,17-Dihydro-16a,17-dihydroxygibberellin A4 17-glucoside 4.07813e-08 549.9427396 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16122.04871 12585.52507 8796.528892 18354.06721 4213.422211 9348.556383 5023.619305 6522.161385 8677.774436 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14212.83912 12840.28701 7763.226137 7509.554515 6805.657771 6225.345498 15343.65912 6670.359832 3912.584281 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32.92381367 4.07813e-08 98.86758338 517.2628681 11389.68628 4.07813e-08 13529.39284 267.6160477 Oblongine 752.3908704 1018.51525 4421.132821 1619.732422 1950.546917 4688.588444 1585.071773 1564.388494 1354.581194 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45.43996521 42.12686261 4.07813e-08 4.07813e-08 4.07813e-08 4923.288942 4456.15816 5079.424902 4476.778106 7106.099809 6085.543203 2674.493102 959.8801374 2798.77525 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.0347916 4.07813e-08 941.6941056 1877.800648 4149.415796 4522.849726 3724.314504 5212.290455 6248.494261 762.1406121 1922.091773 7934.175147 6569.89657 5350.36542 1801.279394 1844.722521 4.07813e-08 4082.421683 55.66813857 3591.962511 4-OH-Retinal 1571.843661 3488.284722 6462.436041 5533.310441 3994.802926 10101.79599 9616.86897 6004.535951 6447.70865 3223.340485 1965.10266 1290.117624 2749.493728 636.0863511 1313.067065 878.6472113 764.6086335 1468.114846 9656.402786 6693.501871 6158.632801 6805.631285 7712.989496 8728.421184 6706.852398 7614.759502 2463.067955 1662.362619 2684.359667 2028.251397 3654.78265 2244.051212 810.8693434 2262.490528 1428.790879 1527.39365 7151.570032 4292.838006 6870.426435 4580.057333 6971.526465 6160.630757 7807.399317 5532.153696 3823.409174 13254.66844 12091.5947 8774.098223 4360.937329 2431.512351 3469.603637 7834.130079 6984.863832 6366.10956 Deacetylnomilin 3909.288143 14026.29424 25144.89727 19613.08123 19680.09274 29257.8709 22916.71545 36727.82602 32434.24494 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 124.4249429 4.07813e-08 4.07813e-08 4.07813e-08 29535.74533 25780.20367 25185.54495 14177.2408 16347.97836 14694.46478 25804.43067 18942.9681 3799.811716 4.07813e-08 4.07813e-08 4.07813e-08 16.78235701 4.07813e-08 4.07813e-08 0.000304074 4.07813e-08 4.07813e-08 23906.61834 7689.267327 18020.92418 10609.11079 31328.12772 17588.21341 18333.40058 14893.28971 3300.286264 35294.98734 33503.77159 28648.49035 29695.20586 15968.72051 1860.185604 36689.90243 177.3248923 27772.14892 Strychnine 175.8747124 16886.40682 4.07813e-08 720.6805756 4.07813e-08 557.2010532 124.9394931 702.1782529 3299.602163 24404.18576 30428.63557 6289.168946 58355.33738 5113.008621 13.10728426 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 121.7216093 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.403393664 4.130738547 6161.290272 4.07813e-08 4.07813e-08 42.43464114 4.07813e-08 15693.67114 4.07813e-08 4.07813e-08 4.07813e-08 105.3121887 4.07813e-08 4.07813e-08 4.07813e-08 0.593780892 4.07813e-08 88.3936862 146.6099602 77.14016438 4.07813e-08 12500.22875 2328.550366 19148.5066 80942.34047 3532.786155 3023.159718 140247.8633 11252.70553 Kalkitoxin 4.07813e-08 423.7007414 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2933.448644 6880.35863 2908.151795 2333.650383 2331.726084 4481.68954 4992.195674 3509.461306 6048.616521 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1690.619459 2928.572522 2005.676762 2546.607728 6595.335512 3839.328069 6320.756905 3930.288647 3643.621995 118.8522032 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 228.1816356 1277.681747 4814.337182 4.07813e-08 242.7508261 4.07813e-08 Furfuryl propyl disulfide 12044.15862 11663.24871 11546.61342 10495.90663 10334.6902 8571.444805 8964.162384 10393.63063 9716.459244 8886.54834 8433.927563 8005.969685 8563.562904 7491.15556 6650.067644 9540.628169 7080.885374 9182.018728 7549.946555 7628.07395 7091.937875 6750.907185 6939.398289 6475.963939 7704.879225 8893.427735 8171.347354 8050.89312 9572.58856 8670.718533 9227.897148 7450.718528 7602.579618 8199.447148 8610.791057 9327.39319 8362.105063 6855.50763 7492.207516 6664.272573 5691.699875 7241.040436 8194.391086 9261.585694 8329.749047 8836.391857 8198.790727 7771.816535 8273.649343 8364.978873 7281.425584 8666.100885 9995.974356 9846.649446 Streptothricin F 4.07813e-08 8368.863658 4.07813e-08 242.4158899 4.07813e-08 4.07813e-08 173.9670448 611.8495666 4.07813e-08 40223.30917 31034.56016 35192.15969 36582.52863 25157.61925 34563.24502 23395.71815 15718.83527 29221.52301 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 246.7561922 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40324.20847 43896.63104 35026.0804 37105.67704 48151.35707 43830.02446 68668.73464 12202.526 24729.93839 8442.582223 169.6276401 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3556.470364 14436.35271 63900.58134 672.7445373 36086.24967 4.07813e-08 Akuammicine 3769.884866 22158.11815 230.7641875 6283.30608 1223.926398 5856.29228 2427.037194 4586.743949 10874.24803 65169.09399 90327.8422 68344.57769 176692.947 109597.3417 7824.85159 286.558853 1469.438635 1153.848298 1699.128788 1197.900864 4.07813e-08 615.1619936 619.1979769 419.1442082 506.4427393 579.8175512 788.2533453 74589.64942 2231.661296 2143.660829 3396.352686 4915.565509 54816.76499 2009.097012 3509.117669 3437.686493 274.2307143 299.5796128 733.9912256 1522.29328 260.4731555 436.7548237 459.8413014 611.7093167 1148.71366 1153.319706 62057.59882 12044.15691 43802.10205 204134.6172 29256.48652 14581.48558 561483.0848 66995.96582 Albomaculine 1250.563863 3742.987076 838.8979087 1136.675926 547.9701693 1943.296632 1398.644365 2330.992568 7234.541654 917.0910963 1471.431817 1350.280158 868.76015 1627.520136 510.7846846 676.8685343 1167.514802 1028.3552 4.07813e-08 136.7762091 539.9348396 4.07813e-08 51.42937225 139.1618234 4.07813e-08 323.4572557 542.7145323 377.0743265 219.8196046 489.3878515 338.3477022 1185.583101 664.0364829 1562.350374 452.8249458 366.959414 4.07813e-08 217.3935643 292.6870066 367.5953768 6.290199798 161.152553 4.07813e-08 315.8668399 129.0701662 542.2106107 4782.50086 2095.647908 3815.277506 11852.59862 551.2081103 2094.482533 2402.91573 1678.021706 Megastachine 13426.73818 9721.26649 11739.0546 13664.40857 14695.24304 13040.82655 12582.15844 8453.233961 6403.605322 6643.511722 6261.55468 6600.945932 8589.925184 5885.298144 7414.294351 2528.063357 2929.002975 2520.398441 26119.75772 25839.77774 19487.71275 19245.99916 26330.86819 24500.72477 23458.43994 24543.88908 26535.36251 3517.607598 4827.862075 6524.042341 3443.864099 9356.575206 6800.205172 4482.495212 1626.390901 4950.310855 15880.30651 17826.81725 16517.8646 18568.69599 19003.14195 25104.34818 22051.33641 22614.30343 27684.23643 19309.25123 16059.92037 15131.86137 13427.91002 12893.20421 8571.747282 15657.80812 5187.835974 19995.46498 Anastrozole 6274.294856 2969.729429 6016.236454 5143.041877 9559.682478 6646.924288 8636.449622 7526.039117 4468.935744 134.7359914 147.832518 78.01409498 488.116614 103.9738371 73.61484841 354.764682 492.8228715 648.4026011 10227.55876 16761.58436 3658.793256 10254.25436 19243.86917 18991.47048 16681.00213 12617.52151 20079.95536 274.6384331 708.1904029 280.4700263 4.07813e-08 1211.409195 825.1515505 4.07813e-08 1.174320554 18.4997002 8329.577834 10283.57516 3608.824552 7650.064087 12766.29519 14309.48231 18842.09593 12963.33077 15641.71437 13563.87758 10681.88906 6386.278521 5298.86974 3153.195712 412.4670796 5877.523615 122.4132624 13743.50533 (S)-Corytuberine 9993.412606 7975.727492 6556.117677 4636.928255 4594.160009 7134.906749 8039.950062 6099.480486 5486.946269 6986.836405 4233.939284 2719.6151 6056.017803 1926.299316 2930.822484 847.8019431 1827.33045 2255.53228 15979.03188 17378.9231 11298.34832 11138.05637 14954.55288 12328.56452 13327.64691 10634.1681 9873.431891 2821.551991 4378.406709 2574.146609 2476.600015 4363.328072 3624.704666 5440.561959 1592.691018 2610.304229 10339.63772 12231.13608 9311.803751 11229.29087 14491.70086 14437.56122 11933.39991 10454.47461 21869.74759 11245.23605 9989.745964 10226.76948 8295.635785 7520.345742 5592.887119 10363.73728 3404.419345 10289.67807 PC(6:0/0:0) 5869.208765 6869.558163 4746.293534 7807.042421 5592.070899 5647.85127 6900.58931 10921.30974 14959.52613 1383.465105 1733.585293 2473.23639 388.310393 1347.110207 1395.54809 2331.709402 625.0789558 1653.912831 2017.8028 2196.358515 1995.809765 2403.982628 1750.316121 4264.245811 1994.293952 1110.127546 2781.986157 2067.302064 2207.251222 1844.250278 2325.643973 1387.038793 1804.943829 4059.425156 1408.111978 2370.911713 2488.484788 3148.628145 4019.922305 3620.813546 1667.701558 2835.094329 1893.986984 1612.506729 2436.17933 3035.228556 6945.989765 5751.926977 4856.651546 11937.66316 2946.337926 5949.126655 3166.242678 2892.34046 Lamtidine 3239.569989 6648.457456 3548.946561 5504.744283 4354.604206 3920.595548 4018.706162 4076.786892 2639.036198 3476.995556 3686.387874 2898.372451 3696.637695 3624.100834 4634.149602 2866.209708 1248.383077 1652.295267 4828.093082 899.4053421 10168.69701 2322.15302 2033.187397 673.8141775 1079.593858 2788.3831 1074.152489 1953.694988 3023.184976 3090.576954 1838.130053 4421.580685 5168.085154 2186.653885 1837.737076 1977.843579 3522.113606 3145.720503 8391.438452 4214.477963 2014.298291 1153.82711 587.6866721 3461.209224 1665.738581 907.5043474 1189.422822 4317.278742 4766.724942 8135.526437 3220.620185 2900.343893 3366.158897 582.6280842 Sodium lauryl sulfate 1226.720383 563.4957599 1074.024927 736.1170728 1249.578039 875.2928872 476.064553 1327.412721 858.0681833 229.4146165 135.5453098 110.5219072 109.2911806 109.6579161 224.1166792 4.07813e-08 4.07813e-08 277.0344309 2616.605501 1984.7032 2612.518406 2071.821378 2971.788068 1928.213519 2221.822219 2759.890692 2634.248178 353.1055236 408.3992089 420.1167255 112.5599867 958.7678159 404.5326 112.2000316 4.07813e-08 130.2080099 2245.066064 1902.138131 1228.862585 1940.192733 1850.205446 2600.453156 2768.081468 2681.006897 3953.934212 1842.259428 1147.784735 1854.60824 798.970563 193.4375287 611.3499506 1445.165292 187.987635 1740.411871 Tryptophyl-Isoleucine 1785.544797 2293.157493 1336.677643 2222.263168 2043.960665 1945.861032 2071.925353 409.8313222 1879.302537 160.927289 158.2912372 121.4269651 306.9113936 647.414894 796.7431756 4.07813e-08 4.07813e-08 131.8642168 2514.205133 1962.626879 2831.171202 2177.387157 1660.369869 1607.974217 2122.390983 2499.603061 2624.718793 262.1106516 142.1613433 565.2064546 4.07813e-08 762.6146402 276.1474014 4.07813e-08 4.07813e-08 521.4499789 1661.627312 1747.081183 1655.386931 2477.956161 2478.497794 1983.999437 1258.187912 2166.326709 2996.131698 1486.454174 1080.108625 1725.755767 1476.614405 1694.94633 343.8646984 1682.075463 180.4119078 1015.795239 Caffeoylmalic acid 3319.496489 2111.578099 4.07813e-08 1372.75837 152.8799752 3218.845112 1040.608231 669.5870316 999.1261615 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 541.0177276 4.07813e-08 2469.955817 1306.32949 5773.788207 94.17265127 4.07813e-08 2345.208429 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 523.4122232 779.6722496 1600.855032 4.07813e-08 2196.343625 5688.27266 4.07813e-08 4.07813e-08 566.3853363 4.07813e-08 97.7504441 379.6056186 381.2548809 1636.623543 4.07813e-08 226.7148263 4.07813e-08 4.07813e-08 Heliangin 3171.628036 3392.37404 2984.248877 3843.059023 4327.970777 5621.74083 5338.839733 5200.796597 4285.787399 2268.795977 848.0810446 1163.293805 1870.008182 687.635364 1922.026038 220.3665395 2084.315528 2354.691428 12669.30622 11286.70541 8828.857552 7806.549587 12974.71483 15575.75249 13068.52271 10663.36162 7651.056137 1960.754457 2201.02653 1520.416773 770.8762187 1774.077895 2412.602168 1614.369727 1790.740563 912.3572007 6931.126437 9089.132974 6297.014933 7926.106568 9360.536671 13221.64517 14834.73789 8849.66074 15237.9161 9967.538847 8332.231935 5619.948482 4116.427552 3296.742407 2750.844995 5403.484831 1945.871 6522.599115 Bruceoside A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55138.37519 26043.25782 21304.21776 41286.25739 33530.94179 46880.7255 18533.19398 22971.31298 26939.93901 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63829.69733 57632.76856 25795.30981 53009.62236 53545.3258 61583.48156 71786.62604 35182.36083 24872.58476 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53758.26553 4.07813e-08 18483.11157 4.07813e-08 18-Hydroxyyohimbine 1840.243949 3485.763017 962.8792259 1439.802868 1438.641075 1583.530097 1109.175234 3734.012824 3864.677379 4309.665987 2251.027631 4032.849054 3808.110703 4509.233299 1979.589605 1808.939888 2201.378779 5191.835624 3221.867396 2919.891745 1556.611416 2666.604006 1687.810822 2181.406248 2024.378414 1046.293603 2633.131679 2941.908716 2855.246712 4935.58875 2639.052085 4257.070929 4362.735271 3306.327203 1867.001142 3988.304702 3468.227682 3066.10231 2203.868938 1875.266862 2490.340044 1444.421849 1594.593208 1152.563101 2593.550063 6222.011861 4324.886724 1921.391756 1876.425365 1386.056585 4320.114616 2340.020236 5091.662605 898.7391837 1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester, N-oxide 1129.478188 1389.719098 2182.324713 2080.541767 2440.105045 1498.271199 3282.646093 3353.952507 1241.286784 248.663057 365.9566487 4.07813e-08 251.467304 421.8627696 132.165949 4.07813e-08 278.2854387 4.07813e-08 2478.594651 5864.986828 1053.623769 2745.037954 5902.189651 7167.302995 5897.07268 4409.533537 7213.109316 160.2894837 131.0582681 4.07813e-08 341.3734872 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 542.6812546 2522.999471 3575.18657 1696.282544 3296.581775 3059.628692 4929.535942 6968.697707 5296.295547 4700.276127 5833.563549 4932.333696 2798.531066 2255.72506 1279.233572 540.0247765 1445.760306 4.07813e-08 5213.801923 PC(15:0/0:0)[S] 23559.24371 16015.14703 28981.90359 33673.17868 30792.12396 15562.5992 15482.43847 23758.13229 28470.97806 8263.809184 12468.19419 12707.06496 9218.926032 8483.65908 18902.57372 6252.719332 14946.84193 10176.19591 30659.39645 32745.49923 24096.88698 38493.72783 16633.25608 11709.08259 32614.32183 34354.30042 26492.37164 5613.086539 11492.74594 10029.01094 5745.02023 24753.47193 5390.815307 8774.383618 6473.063607 4134.615029 34399.17424 28350.45264 21106.7919 23622.11309 29687.92659 24076.94782 11453.72968 30827.12921 34519.89813 7723.73654 10979.33563 16795.85651 24089.58114 14878.67972 8716.342497 22091.70799 5111.494038 13466.15353 (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] 4.07813e-08 3998.490255 3942.690586 1600.977267 3307.922234 4.07813e-08 8923.903042 1056.426568 545.0065555 3596.831816 17141.51829 450.9507442 3339.015745 3336.704237 2689.419784 19269.27933 4575.748099 434.4635144 4.07813e-08 4.07813e-08 477.1941899 72.08100628 234.9848872 4.07813e-08 4644.43968 324.173467 806.0902564 415.1669737 3771.820584 6452.947301 1226.701738 9705.376942 6687.816202 42523.50071 5379.854672 1280.723201 687.6398735 449.5305745 341.8064463 4.07813e-08 102.2458446 137.1505414 4.07813e-08 867.1572637 451.2557788 4.07813e-08 3586.298414 4.07813e-08 2492.62342 21069.62158 8186.311396 4865.582305 12408.91317 4.07813e-08 [2-(methoxymethyl)-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4944.966683 3576.55955 3929.065029 5603.647874 4381.646781 3922.056216 2504.722782 4729.008243 2461.338404 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4524.083758 4905.228512 6974.87146 2789.975403 5356.981818 4810.52607 4429.560614 1700.350895 3309.916588 227.3136574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5172.960039 4.07813e-08 5571.697203 4.07813e-08 SM(d18:1/20:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23119.5594 40529.70905 25977.10525 18525.69656 8274.846492 37141.40293 43057.52724 16785.09044 20575.2964 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15861.99724 42889.63608 13679.78669 32875.90617 7662.309842 15622.94171 33747.51114 20078.21665 33134.87807 4.07813e-08 4.07813e-08 191.0370317 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19837.23972 4.07813e-08 3500.337419 403.6977199 3-Dimethylallyl-4-hydroxybenzoate 1529.796586 1282.694657 1655.010753 2004.161778 1619.657098 2138.009301 2529.171939 1667.256723 1503.833011 626.1886909 828.0014877 569.8958793 542.1251658 489.2265511 475.0565283 898.3720058 511.2586236 278.795119 3724.990465 3727.360014 2410.68411 2925.47662 4531.682439 4587.47508 3293.042248 4103.163559 4704.673634 816.552145 506.1327147 813.0855217 592.9649379 554.7143752 674.2296857 953.4978564 591.1117575 479.1795152 2700.142405 3090.174179 2989.255857 6271.504496 3292.999452 3873.162377 4249.728707 4387.823497 3843.329625 5755.529002 3620.142849 2982.060105 2475.763594 1999.122438 621.1624975 2658.864021 609.4568523 3549.968817 PA-PA 317.4738203 930.7000311 4.07813e-08 341.5586179 4.07813e-08 337.56113 4.07813e-08 1364.00613 1282.862184 24570.89377 18616.802 7130.392104 24234.28168 13708.18178 36937.48194 50299.16627 13081.64115 15234.01983 376.6506138 4.07813e-08 4.07813e-08 0.644864407 26.95968412 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29020.05562 11799.31674 7882.162955 36327.18649 2505.009443 16549.56208 28175.45497 19346.9911 19893.38691 4.07813e-08 4.07813e-08 244.6283513 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23.93803587 4.07813e-08 4.07813e-08 4.07813e-08 363.228137 4816.575495 294.033 4192.521688 59.60685216 PS(O-16:0/18:2(9Z,12Z)) 14769.68389 12704.69869 15609.98379 10895.69214 10493.20741 11003.36033 9875.437039 9975.031013 7508.448277 8467.517182 6779.135434 6997.767457 8041.371208 6585.910814 7221.995345 8490.404308 9183.623176 10147.80324 9365.396531 10051.7193 7967.085272 7181.549519 6795.533707 7636.432141 7828.639898 11844.47672 9641.101533 5518.562875 8471.395119 10549.09279 11845.46476 10977.53259 7752.426988 5394.164924 9776.313397 8591.807931 9779.488496 8834.243666 7649.017748 7502.961926 8392.293641 7034.130823 10320.54859 11705.57489 10900.66655 11631.99067 11280.72584 8363.507754 8147.694707 8686.793553 9111.192578 8411.838619 9946.941738 13210.10111 ketophenylbutazone 503.1845476 452.615545 62.2221289 467.4145559 719.8908288 710.2236406 334.1021607 607.5191713 662.3493482 154.2302201 190.1095504 97.43011203 60.66456672 4.07813e-08 170.4343846 268.3451634 131.8261902 4.07813e-08 1792.194022 845.5035344 409.8900032 1011.818155 1274.440129 1003.195595 2402.754408 519.7696804 937.7487699 376.0035443 325.1599403 162.4531305 238.8635317 326.3925696 235.8518532 399.1850694 110.5946011 82.92008384 1297.424052 1110.011461 728.7825443 1393.680236 1036.254665 766.1777739 496.6184396 1152.300274 740.8028698 2022.463509 673.8087307 599.4712134 839.0923315 196.3335614 4.07813e-08 722.4317663 1073.069148 414.8511757 Prostaglandin E1 Ethanolamide 2329.715909 2267.355267 1586.694858 1829.346329 2156.617464 392.7735041 1752.745062 2717.906038 2216.497538 602.6164135 446.2453931 449.3392482 1135.084453 1092.630828 123.0318186 4.07813e-08 257.8167667 1687.970147 2258.612495 1339.01997 1825.462764 2837.088722 1151.366578 187.8483929 3879.147542 1707.891691 548.0013317 1239.874778 832.05213 566.9163449 711.4319354 771.5911699 688.8780668 950.5910806 4.07813e-08 284.4157795 3246.129259 1878.366004 2025.485485 2128.020251 3175.303575 2525.208834 440.0987542 1141.56871 2809.45977 293.3765577 293.508598 1770.913408 1880.664039 3524.896294 1650.390236 1769.457976 705.6425295 835.2744058 Cincassiol B 27317.63643 23750.64781 23207.23765 26422.15252 33172.39731 30180.91524 31809.90889 22405.98596 23319.67011 12100.48228 9973.939623 6902.80976 12543.44403 7766.203666 13595.16144 2504.612405 7736.96514 8417.579672 67710.20323 69311.54259 59287.39267 56932.41766 78084.03382 65908.38191 58356.96544 66987.07784 59897.26313 7294.210491 7956.074966 10677.50427 5241.840272 12744.97903 10157.80182 8381.863209 4205.00187 8561.952426 36179.33084 52761.54378 44045.52232 56025.43958 66767.77593 70134.32 54378.68272 62956.21393 79121.2402 45616.90152 35073.20183 44462.22223 31728.18057 27500.28804 14605.64503 39262.39327 9158.164787 34714.87061 Ipecac (Emetine) 680.9138866 3826.148902 1023.675131 5928.384093 479.7100243 1249.12206 916.8395398 875.2620717 613.1029948 17197.18063 18875.45597 11994.12748 19211.39185 5638.619551 3133.428977 1501.125879 1682.712819 400.9499266 4.07813e-08 51.51516252 8.337080998 0.555549736 252.485669 1.099909514 0.769735152 2.005832827 5.444178585 3825.276602 11916.2086 919.8078643 2097.540309 2772.321372 5986.046782 3949.959623 1962.518978 1829.283063 1481.267284 1773.219926 698.6675805 104.3608457 388.3550596 6.778411009 22.89236192 54.48625828 0.000830234 0.166608873 247.9248223 4.07813e-08 250.7966486 527.574399 3028.791257 8.329629833 5162.614751 26.41740178 24-Oxo-1alpha,25-dihydroxyvitamin D3 3192.654203 1676.639469 2837.425287 9294.873934 5819.729298 2644.944908 3881.237685 4309.586918 3218.368427 1124.851427 1142.818547 4391.942932 1561.757067 1572.845711 1582.85222 1482.826544 6905.981447 2915.953054 3397.342232 2482.611565 2984.016807 9105.265882 6348.995928 3774.430957 4750.576959 1811.671894 3100.675291 4505.876446 1124.275337 5661.740316 717.947552 256.0359894 560.7855972 1600.988041 859.197788 1979.978464 3674.118652 2358.16131 2566.653547 7664.891604 9800.409045 6839.160439 3580.263771 1987.382059 3301.562325 6866.697269 2689.977789 6745.576893 3578.180161 2793.171103 354.754242 3954.693401 537.5412374 3593.639265 [[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]-, (E)-Acetic acid 4190.291446 2462.601883 9067.944255 1532.743312 697.8136191 953.1204297 1817.114566 5132.08404 6066.808051 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 890.746357 664.1834247 1955.204897 1145.126246 1743.388062 4818.204322 2564.945669 154.9560095 387.8714489 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 302.4016965 1286.600909 2413.756338 10076.12924 1267.567601 1818.667892 2089.992744 4.07813e-08 4.07813e-08 1738.40221 1955.137178 1151.559119 3949.770281 2499.703649 4.07813e-08 1000.081796 4.07813e-08 4.07813e-08 3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid 10383.90692 8211.341907 13019.80105 19638.66655 14643.10551 14363.96387 13279.92654 15228.57442 18511.6138 34400.44898 32795.29626 26174.73412 30113.69464 34545.42742 28446.82319 47381.75413 51657.89752 35929.00864 17698.03535 15636.64351 10393.63551 10835.99596 8399.470319 11047.74154 11500.66216 16204.15052 11340.28465 23595.74709 31798.26085 34423.69259 26136.68347 30591.50386 22813.26131 17060.58295 26936.87559 34889.74335 9126.456683 10419.39972 9481.585174 10061.69397 10805.04037 9876.102502 13572.9565 12907.7337 7119.415395 17878.45828 17469.45052 12419.40556 7553.959801 6052.249224 22132.97909 16205.55579 41276.94391 11394.2394 Erythromycin E 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.81044055 4.07813e-08 4.07813e-08 6912.887756 18111.095 28013.20571 10036.38161 592.8902132 15430.7925 9214.63544 1024.095602 3100.259598 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2319.665377 50476.94873 8976.377271 6432.624017 38653.31081 13963.03965 26090.55488 3811.123624 6153.090974 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.0340745 4.07813e-08 390.2059992 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19226.29298 4.07813e-08 721.3511048 4.07813e-08 13Z-octadecene-9,11-diynoic acid 3359.85913 3214.313319 2642.604727 1272.331293 983.9165885 2389.033386 1981.956438 693.887094 1282.413492 1192.839786 1063.776608 444.6829754 1551.413673 460.8743453 548.0965535 394.7852707 565.0151792 233.3320039 1442.754728 1155.228095 1354.734069 885.3529467 1423.991338 1276.789086 1116.588673 1621.812725 1306.527521 69.30704879 4.07813e-08 701.2735687 190.1857768 175.0678885 967.7535542 353.3233983 363.4960056 261.7170536 715.1145952 703.3468605 1020.214433 1279.001581 1249.833217 886.4465004 1404.859434 1357.526653 1852.868889 1002.122422 869.8209916 773.1302098 463.4636256 797.4358191 329.0454212 701.0396272 87.13769427 963.7666311 Armillyl everninate 1242.274023 1448.201278 1670.457155 2689.392124 3501.849008 1211.549962 1104.656423 482.5540166 743.2931326 733.2708692 840.3844601 1541.446826 844.267272 2027.181126 920.1592634 420.0074359 192.5666123 313.3810503 5026.148743 3821.270797 3556.340478 2596.492286 5497.200428 4148.096729 3840.266579 5280.733939 4893.684949 296.8640024 681.3312383 1970.033897 125.194435 1608.949653 1374.260923 1128.23125 565.2345748 1524.978141 2511.932337 3669.339376 3070.80299 3840.037326 3167.98021 5040.768928 3525.579018 4599.162367 6722.84935 5079.895812 4565.496572 2993.589856 3340.530165 2842.945776 2214.740287 2943.38502 930.2261426 2536.291166 Hamayne 4006.889552 4938.220667 2161.321894 2129.81543 3004.903244 2473.545243 2370.175312 1032.713409 2089.127417 3804.960119 2029.659604 1962.777007 3779.203317 3592.482154 3006.094935 1870.152802 5471.128091 1970.698814 3947.521376 3030.045813 1930.752673 3636.184283 3540.882926 135.5418974 2643.769585 4214.039642 1092.740134 15860.04221 2787.747761 2401.685147 3548.746237 3531.497537 3293.236173 3735.439931 14476.37116 2033.344818 6532.533616 5499.223828 2752.048324 1588.791873 2286.333482 4951.351179 194.4686245 3028.027747 3155.354193 128.5702127 702.3574058 1786.337733 3628.747626 3589.239014 3843.578179 3097.803726 2398.183055 1667.400284 Bisindolylmaleimide I 11743.64963 8922.730067 6948.501496 6833.690868 10925.35577 7689.602074 6404.432798 5998.507743 6310.908238 8592.416086 6786.305261 2375.092967 9049.057416 3505.359361 8671.85858 1473.913989 7749.475332 2039.743701 13951.11588 15391.92736 14300.49214 14768.46571 18331.97647 8642.466424 15236.79868 13085.80035 13453.11671 5130.958183 5638.236703 7321.991451 6302.012512 10371.51925 7820.897507 6310.846116 2946.392155 7825.529041 10551.46551 10473.98651 10287.99043 12574.57396 13627.60008 14802.14831 9201.157432 12074.22253 16614.02197 4943.111763 3868.906479 7592.7379 9527.362217 8784.12197 8771.080979 11298.46233 6204.911195 6632.190004 2-Hydroxyestrone 490.6829546 278.151067 968.596379 796.5711862 102.3739821 714.5035076 1743.192746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1108.15924 926.9528758 753.8174051 1513.376531 1848.309606 1789.556525 1156.768063 344.0242903 635.5993323 4.07813e-08 4.07813e-08 4.07813e-08 60.09583521 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1278.00727 1816.958277 1253.761695 1419.725267 1637.416659 1581.23743 1302.503022 104.1919614 1085.882774 974.515246 1021.981922 1509.674564 1000.496604 632.9841746 4.07813e-08 1358.732406 4.07813e-08 637.8922804 4-Hydroxy-5,7,4'-trimethoxyflavan 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 784.2233699 305.3782755 3101.785798 538.7398202 10324.9397 4476.006186 2896.121613 5819.280799 2906.368323 86.99854942 260.0966479 4.07813e-08 246.9992893 177.2409195 4.07813e-08 274.8051785 0.031205451 4.07813e-08 1627.554881 379.5594896 4.07813e-08 1488.628987 248.0427604 4.07813e-08 426.6688358 1190.149245 160.7500314 4.07813e-08 254.6873805 166.8406672 4.07813e-08 68.38541264 420.2406826 54.09684745 4.07813e-08 84.90374754 72.75848416 390.3379172 430.7496421 936.7002997 4.07813e-08 4065.965012 102.9479699 4.07813e-08 4.07813e-08 16-Ketoestradiol 4295.122999 3145.435945 4816.109968 4977.421691 5539.069344 4911.254678 5546.350062 3495.090241 2908.215536 932.3685888 689.4097054 854.5275823 1063.538086 1214.584593 433.4930072 142.5548854 111.5952618 65.69090087 7855.373085 10386.27107 3667.947336 7630.773438 10500.95346 10016.33622 8359.635742 8104.979442 10278.98279 197.3390855 508.877502 1056.034394 548.0391475 996.6913083 843.0726182 626.7715788 121.8199792 715.6986119 5675.960355 7079.305665 4733.552785 6893.530062 8682.970016 8799.024132 9931.658291 6968.508926 10685.17304 7912.76755 5943.048974 5977.729214 4384.118629 2249.531305 748.442022 5843.674067 434.1897488 7690.319913 ecdysone 25-O-D-glucopyranoside 782.8715269 4.07813e-08 4.07813e-08 1672.658969 3530.837662 2022.822674 883.0297765 2275.014465 4.07813e-08 4.07813e-08 4.07813e-08 93.89180074 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 165.6435517 4.07813e-08 488.7606155 1442.791721 217.8766776 2421.709792 7441.33925 3299.267951 1240.324767 4.07813e-08 1539.789849 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 273.3365686 936.8717756 786.9502232 3625.945136 2873.998671 2084.230027 3630.176552 237.7786152 672.7659534 1902.405507 4.07813e-08 232.3696718 558.8401417 265.0747867 4.07813e-08 229.1089613 4.07813e-08 2264.737992 Progeldanamycin 3087.2346 4150.580626 6733.881386 7146.64219 7632.751818 4522.446191 4747.084136 1346.488336 956.5573551 1975.675808 2086.666543 3197.287422 841.4461961 2258.317435 2375.606305 1011.85176 182.9631237 938.5991975 8506.295842 7900.921584 6340.714144 6831.483382 9137.011678 8279.232259 8022.244422 7512.045308 9096.586204 521.8827158 2063.800272 3745.543583 2294.090699 3285.559393 2768.851174 1220.238859 5255.935115 3635.700744 5889.334722 6747.855785 5076.358047 7309.322601 9325.913989 7436.708113 6499.945281 8116.541828 9477.319484 5920.004819 5042.849241 4347.886011 4003.774216 3038.390408 2544.458733 5402.536481 1807.929279 6947.959163 (3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol 1.44087689 4.07813e-08 4.07813e-08 19.72526297 4.07813e-08 11.53486991 13.30016305 0.816516898 4.07813e-08 429.8406353 3122.608066 6964.071941 384.6436998 11693.02351 8463.83244 14707.90044 4.07813e-08 968.4249694 126.7465708 4.07813e-08 4.07813e-08 234.0869722 112.4629906 17.48169689 4.07813e-08 136.0896671 115.4007288 4484.285983 6932.761829 232.9201478 2868.772539 4451.27796 697.8932655 5964.69703 16006.5023 1531.64423 4.07813e-08 106.7034059 4.07813e-08 128.0103131 26.8365698 4.07813e-08 22.18000679 100.3539956 212.2888004 522.9598693 4.07813e-08 63.3493878 4.07813e-08 149.763925 3323.50011 87.89793805 205.6964041 97.57601739 [6]-Dehydroshogaol 4.07813e-08 3654.904463 4.07813e-08 130.9950762 4.07813e-08 4.07813e-08 271.5536297 690.1782825 4.07813e-08 1180.689705 3757.206324 8305.509622 1092.746691 22884.79294 16761.9405 5873.208882 3288.681849 5064.760571 143.7655549 4.07813e-08 38.68074748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1526.06699 11853.69893 3514.086482 9515.297612 2526.94636 1279.435564 2878.008957 6306.409805 4.07813e-08 4.07813e-08 35.02731957 4.07813e-08 4.07813e-08 4.07813e-08 37.25651531 4.07813e-08 60.28790089 4.07813e-08 1769.758056 4.07813e-08 1464.67758 584.3231455 4033.613985 99.65689189 813.2004322 103.6392596 2-[[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]amino], Ethanesulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154.8172663 10054.36603 40190.06945 1719.734645 88518.59335 31243.18702 14882.55156 29957.30619 58158.29672 4.07813e-08 4.07813e-08 4.07813e-08 1.559518929 2.289145973 4.07813e-08 13.41615761 4.07813e-08 4.07813e-08 12141.31249 75837.86695 54647.89975 87369.47465 367310.9921 49886.5381 50211.58155 70447.39742 56715.50351 4.07813e-08 4.07813e-08 4.07813e-08 233.334073 85.31200717 4.07813e-08 2.429345392 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20502.00451 4.07813e-08 302.4405529 4.07813e-08 10-oxo-docosanoic acid 1008.904013 998.3270565 1015.941364 1895.194899 1098.918506 474.5233987 810.7096434 2204.554639 3198.30512 1249.811633 1951.179834 2015.049571 1633.277364 1562.368385 3285.104057 660.4272093 5352.37413 5829.405953 709.6086161 710.4343837 608.2519334 2873.369967 1254.432081 287.5376009 713.8653401 830.2027442 529.466061 3693.963745 924.4320628 2655.141584 255.470979 191.3374403 1363.891838 565.472732 1628.239347 1276.195562 1159.993396 1054.594184 520.9898699 1605.971185 1748.39346 1388.839808 411.6101137 1150.487987 378.8984475 678.9486127 1457.072428 887.039084 1038.811099 732.2225607 510.7999162 173.3183444 518.9722889 492.4465721 (25R)-3beta-hydroxycholest-5-en-7-one-26-oate 4433.76968 1850.101885 4865.686816 4091.933457 2786.936661 6062.758703 3104.426166 5158.131372 7145.077841 817.1390026 1204.290617 17172.90674 664.5411196 9583.183568 10406.61363 8135.684928 27854.33392 20679.23914 5371.553251 4183.396401 5764.270446 5990.387875 4286.396507 5001.329056 4033.461409 5847.161473 2537.780023 4623.53111 1654.963586 4894.522431 1302.635007 4236.835327 1686.889467 1983.97555 8747.395681 1928.4182 4932.775479 3082.970613 5386.515664 5839.955325 6591.627529 3866.735455 5085.278156 4185.257559 2998.726595 7219.181748 8268.740784 23196.80158 5204.538724 6889.153204 2784.089727 14502.0365 992.5613982 3137.269677 PE(18:1(11Z)/22:2(13Z,16Z)) 472836.4078 430488.8527 365070.3023 15653.60925 7550.503441 439806.0829 24599.18368 686764.5204 560758.2368 17046.97041 1606.090401 566597.5677 15836.05778 596193.6173 473668.7512 54669.71044 1623437.521 287140.4168 42327.86474 59066.01343 397406.816 204993.3078 4.07813e-08 4.07813e-08 4.07813e-08 9.031059017 398.8858287 356531.399 1011266.524 18180.38613 241634.0963 274053.2501 20372.33481 437461.6692 713750.1274 48008.85712 496856.0515 2761.074922 336521.1842 67640.5942 11848.54065 9061.824027 4.07813e-08 4.07813e-08 471.4036661 369676.978 1750930.287 514352.7102 938613.1804 412583.5559 325198.5743 710803.8825 4656.191149 107980.1894 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z Retention time (min) Compound ID Super Class Class Sub Class level kegg Score Fragmentation Score Adducts Formula Mass Error (ppm) Glycocholic acid 466.3157432 8.549466667 HMDB0000138 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C01921 58.2 95.2 M+H, M+K, M+Na, M+NH4, M+H-H2O C26H43NO6 -1.227803678 N-(1-Deoxy-1-fructosyl)isoleucine 294.1544006 1.1264 HMDB0039780 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 58.1 94.1 M+H-H2O, M+H C12H23NO7 -0.225814039 Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)- 391.2837896 10.58235 1089 Unclassified Unclassified Unclassified Unclassified Unclassified 58.1 95.4 M+H, M+K, M+Na, M+NH4 C24H38O4 -1.272142468 Taurocholic acid 516.2985563 7.7527 HMDB0000036 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C05122 58.1 97.9 M+H-H2O, M+NH4, M+H C26H45NO7S -1.294764897 PE(16:0/0:0) 454.2922994 11.4543 40776 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 58.0 97.2 M+H C21H44NO7P -1.13928607 3-Indolepropionic acid 190.0860967 7.153633333 6602 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 57.9 92.7 M+H-H2O, M+H C11H11NO2 -0.881517115 Cholic acid 426.3208062 9.793166667 HMDB0000619 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C00695 57.9 95.4 M+H-H2O, M+H, M+NH4, M+Na C24H40O5 -1.475330358 L-Proline 116.0708269 0.718683333 29 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00148 57.8 96.8 M+H C5H9NO2 1.929124091 Taurochenodesoxycholic acid 482.2931052 8.90535 HMDB0000951 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C05465 57.8 97.9 M+H-H2O, M+H, M+Na, M+K C26H45NO6S -0.732482347 LysoPC(0:0/16:0) 496.3393158 11.50315 HMDB0240262 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 3 Unclassified 57.7 94.7 M+H, M+Na C24H50NO7P -0.908835919 LysoPC(17:0) 510.3551236 11.942 HMDB0012108 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 2 C04230 57.7 91.4 M+H, M+Na C25H52NO7P -0.574203163 LysoPC(18:0) 524.3707562 12.4464 HMDB0010384 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 3 C04230 57.7 93.7 M+H C26H54NO7P -0.592152534 17-HOME(9Z) 281.2472258 11.69568333 LMFA02000180 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 57.6 93.3 M+H-H2O, M+H C18H34O3 -0.941803542 LysoPE(18:0/0:0) 482.3236939 12.33828333 HMDB0011130 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 57.5 91.5 M+H, M+Na C23H48NO7P -0.876843298 (S)-(-)-Perillyl alcohol 135.1168733 5.50615 41074 Lipids and lipid-like molecules Prenol lipids Monoterpenoids Unclassified C02452 57.5 89.4 M+H-H2O C10H16O 0.304945933 Pantothenic Acid 220.117833 2.6036 241 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 2 C00864 57.4 89.3 M+H, M+K, M+Na, M+H-H2O C9H17NO5 -0.529666577 Taurodeoxycholic acid 517.3301961 8.891216667 HMDB0000896 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C05463 57.4 94.0 M+NH4 C26H45NO6S -0.778274042 Glycoursodeoxycholic acid 450.3207628 9.928083333 HMDB0000708 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 Unclassified 57.4 93.3 M+H, M+NH4, M+Na C26H43NO5 -1.417940683 Glu Leu 261.1442808 2.94865 44684 Unclassified Unclassified Unclassified Unclassified Unclassified 57.3 90.6 M+H C11H20N2O5 -0.835738995 L-Isoleucine 132.1019662 1.154533333 23 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00407 57.2 93.2 M+H C6H13NO2 0.466091926 Chenodeoxycholic acid 375.2890869 11.10941667 HMDB0000518 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C02528 57.2 91.1 M+H-H2O, M+NH4, M+Na, M+H C24H40O4 -0.725605592 D-Pipecolic acid 147.112738 0.607833333 58337 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 57.1 91.5 M+H, M+NH4 C6H11NO2 0.607974303 Citrulline 176.1028874 0.67715 16 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00327 57.1 93.4 M+H C6H13N3O3 -0.458515614 LysoPC(18:2(9Z,12Z)) 520.3394322 11.23268333 HMDB0010386 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 3 Unclassified 57.1 91.6 M+H C26H50NO7P -0.642722855 N-(1-Deoxy-1-fructosyl)phenylalanine 328.1387493 2.061383333 HMDB0037846 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 57.1 93.5 M+H-H2O, M+H C15H21NO7 -1.538427167 N-Acetyl-DL-methionine 192.0689685 4.47545 62466 Unclassified Unclassified Unclassified Unclassified Unclassified 57.1 90.0 M+H-H2O, M+H C7H13NO3S -0.47688744 17-octadecen-9-ynoic acid 279.2315881 10.31675 LMFA01030562 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 57.0 90.8 M+H-H2O, M+H C18H30O2 -0.899033933 Tetracosahexaenoic acid 357.2783188 11.10941667 HMDB0002007 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 57.0 89.5 M+H-H2O, M+H C24H36O2 -1.027606199 Soyasaponin V 959.5195055 9.113066667 HMDB0039517 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 57.0 92.7 M+H, M+Na, M+H-H2O C48H78O19 -1.566158732 N-(1-Deoxy-1-fructosyl)valine 280.1389132 0.7879 HMDB0037844 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 56.9 88.6 M+H C11H21NO7 -0.591997067 Soyasaponin III 797.4668369 9.614566667 HMDB0034651 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 56.9 92.3 M+H, M+Na C42H68O14 -1.690496969 L-Glutamate 148.0604055 0.67715 19 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00025 56.8 91.1 M+H-H2O, M+H C5H9NO4 0.597541896 Medicagenic acid 503.336091 10.59686667 HMDB0034551 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 56.8 93.3 M+H-H2O, M+H C30H46O6 -0.936952727 trans-EKODE-(E)-Ib 311.2212715 11.18393333 35761 Unclassified Unclassified Unclassified Unclassified Unclassified 56.8 93.3 M+H C18H30O4 -1.335788321 gamma-Glutamylleucine 261.144291 4.230033333 HMDB0011171 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 56.8 88.3 M+H C11H20N2O5 -0.796459395 Tryptophyl-Phenylalanine 352.1655293 5.82695 HMDB0029090 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 56.8 87.0 M+H C20H21N3O3 -0.110025736 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid 387.2525457 9.2073 LMST04010192 Unclassified Unclassified Unclassified Unclassified Unclassified 56.8 89.9 M+H-H2O C24H36O5 -1.089175484 Soyasaponin I 943.5245372 9.301716667 HMDB0034649 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 C08983 56.8 87.8 M+H, M+Na, M+K C48H78O18 -1.649686116 Pisumsaponin II 941.5091047 9.9442 HMDB0038317 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 56.8 90.1 M+H, M+Na C48H76O18 -1.421973493 12,13-Epoxy-9,15-octadecadienoic acid 295.2264699 11.7411 87400 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 56.7 89.2 M+H C18H30O3 -1.024213814 6,10-Dimethyl-5(E),9-undecadien-2-one 195.1742104 7.3852 98068 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 56.7 88.2 M+H C13H22O -0.676270055 Histamine 112.0871693 0.580133333 68 Organic nitrogen compounds Organonitrogen compounds Amines 2 C00388 56.6 91.7 M+H C5H9N3 2.210971322 D-Pantethine 577.233387 5.427633333 58175 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C12661 56.6 93.3 M+H, M+Na C22H42N4O8S2 -0.472466392 L-Ornithine 133.0971787 0.607833333 45121 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00077 56.5 86.2 M+H C5H12N2O2 0.186262451 2-Hydroxycinnamic acid 182.0812141 1.028333333 HMDB0002641 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 3 C01772 56.5 83.3 M+H, M+NH4, M+H-H2O C9H8O3 -0.04696142 6-hydroxy-9Z,12Z-octadecadienoic acid 297.2421105 10.77416667 35570 Unclassified Unclassified Unclassified Unclassified Unclassified 56.5 86.9 M+H C18H32O3 -1.049159266 15(R)-15-methyl Prostaglandin A2 349.2371145 5.978083333 45405 Unclassified Unclassified Unclassified Unclassified Unclassified 56.5 86.4 M+H C21H32O4 -0.635963552 20-HDoHE 327.2313649 7.419333333 HMDB0060048 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 56.5 88.8 M+H-H2O C22H32O3 -1.428359955 7(S),17(S)-dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid 363.2524936 8.608466667 64758 Unclassified Unclassified Unclassified Unclassified Unclassified 56.5 89.6 M+H C22H34O4 -1.3593341 Dimethylglycine 104.0709663 0.704816667 277 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01026 56.4 88.6 M+H C4H9NO2 3.506104265 11Z-hexadecenoic acid 255.2315124 11.36115 34926 Unclassified Unclassified Unclassified Unclassified Unclassified 56.4 89.5 M+H, M+Na C16H30O2 -1.353970128 Hydroxyprolyl-Lysine 260.1603016 2.520666667 85775 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 56.4 86.1 M+H C11H21N3O4 -0.698548058 L-beta-aspartyl-L-leucine 247.1285918 4.064383333 62015 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 56.4 86.1 M+H C10H18N2O5 -1.041226336 L-Aspartic Acid 134.0448115 0.67715 15 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00049 56.3 83.4 M+H C4H7NO4 0.205800721 (R)-(+)-2-Pyrrolidone-5-carboxylic acid 130.0500014 1.01445 63632 Unclassified Unclassified Unclassified Unclassified Unclassified 56.3 85.2 M+H C5H7NO3 1.021976484 Daidzin 417.1178341 5.364233333 64304 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides 1 C10216 56.3 87.3 M+H C21H20O9 -0.419553352 1alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid 373.273303 8.733933333 LMST04010258 Unclassified Unclassified Unclassified Unclassified Unclassified 56.3 86.5 M+H-H2O C24H38O4 -1.072155278 CYCLOLEUCINE 130.086352 0.7879 44142 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C03969 56.2 84.2 M+H C6H11NO2 0.750888855 N-(1-Deoxy-1-fructosyl)methionine 312.1107473 0.84375 HMDB0037841 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 56.2 84.4 M+H C11H21NO7S -1.292513816 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) 519.112942 6.138516667 LMPK12111089 Unclassified Unclassified Unclassified Unclassified Unclassified 56.2 85.0 M+H, M+Na C24H22O13 -0.724237916 9,10-epoxy-12-octadecenoic acid 297.2420546 8.103666667 35866 Unclassified Unclassified Unclassified Unclassified Unclassified 56.2 87.5 M+H, M+NH4 C18H32O3 -1.237808553 Indoleacetic acid 176.0705071 6.416 HMDB0000197 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives 3 C00954 56.1 83.1 M+H C10H9NO2 -0.559261568 16alpha-hydroxygypsogenic acidid 503.3362045 7.502433333 LMPR0106150017 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 56.1 89.4 M+H-H2O, M+H C30H46O6 -1.099965026 15-HETE-GABA 423.3211424 9.466166667 LMFA08020148 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 56.1 88.3 M+NH4 C24H39NO4 -1.46041425 3alpha-Hydroxy-7-oxo-5beta-chol-11-en-24-oic Acid 371.2576283 9.7363 LMST04010350 Unclassified Unclassified Unclassified Unclassified Unclassified 56.1 86.5 M+H-H2O C24H36O4 -1.141110291 19,20-DiHDPE 345.2421887 10.31675 LMFA04000043 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 56.0 86.5 M+H-H2O, M+H C22H34O4 -0.642235091 Tetrahydrocorticosterone 351.2525813 7.31915 HMDB0000268 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 3 C05476 56.0 84.4 M+H-H2O, M+H C21H34O4 -1.33154728 4-(2-Aminophenyl)-2,4-dioxobutanoic acid 208.0604214 4.871 HMDB0000978 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C01252 55.9 80.5 M+H C10H9NO4 -0.061801885 5-Hydroxyindoleacetic acid 192.0654402 5.33425 2975 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives 2 C05635 55.9 91.0 M+H C10H9NO3 -0.415545318 3,4,5-trihydroxy-6-[3-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 447.0918256 5.76095 HMDB0125284 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 55.9 83.1 M+H-H2O C21H20O12 -0.780477693 8,13-dihydroxy-9,11-octadecadienoic acid 313.2368577 9.3831 35506 Unclassified Unclassified Unclassified Unclassified Unclassified 55.9 85.9 M+H C18H32O4 -1.531752108 2,5-Dimethylbenzaldehyde 135.0804096 9.43295 265044 Benzenoids Benzene and substituted derivatives Benzoyl derivatives Unclassified Unclassified 55.9 83.2 M+H C9H10O -0.237305952 4-Pyrimidine Methanamine (hydrochloride) 110.0715742 0.607833333 45035 Unclassified Unclassified Unclassified Unclassified Unclassified 55.8 86.1 M+H C5H7N3 2.755984215 ALANYL-dl-PHENYLALANINE 237.123226 4.2137 44266 Unclassified Unclassified Unclassified Unclassified Unclassified 55.8 82.5 M+H C12H16N2O3 -0.604955156 Indolelactic acid 206.0811236 5.3798 71 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified C02043 55.8 82.7 M+H C11H11NO3 -0.224701275 Quadrone 249.1482403 8.15215 67786 Unclassified Unclassified Unclassified Unclassified Unclassified 55.7 84.3 M+H-H2O, M+H C15H20O3 -1.041343899 Soyasapogenol C 441.372289 9.614566667 71678 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 C17422 55.7 84.9 M+H C30H48O2 -0.949589957 AMINOHYDROXYBUTYRIC ACID 120.0657091 0.67715 44197 Unclassified Unclassified Unclassified Unclassified Unclassified 55.6 86.2 M+H-H2O, M+H C4H9NO3 3.099263889 Trans-4-Hydroxy-L-proline 132.0655957 0.67715 257 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01157 55.6 80.6 M+H C5H9NO3 0.580654207 p-Tolualdehyde 121.0649871 1.098383333 66526 Benzenoids Benzene and substituted derivatives Benzoyl derivatives 2 C06758 55.6 81.2 M+H, M+NH4, M+H-H2O C8H8O 1.630512976 20-HETE ethanolamide 381.3107674 7.368583333 HMDB0013630 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 55.6 84.0 M+NH4 C22H37NO3 -1.106958838 16-L1-PhytoP 311.2212698 7.8755 LMFA02030027 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 55.6 86.3 M+H-H2O, M+H C18H30O4 -1.264171671 Antibiotic SB 202742 353.2469009 7.974333333 HMDB0041206 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 55.6 87.2 M+H-H2O C24H34O3 -1.636202866 5-Hydroxytryptophan 221.0919006 1.112483333 65553 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives 2 C00643 55.5 82.3 M+H C11H12N2O3 -0.76373657 Asparaginyl-Leucine 246.1446034 2.4209 85650 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 55.5 82.0 M+H C10H19N3O4 -0.934603264 16,17-DiHDPE 363.2525067 7.738483333 LMFA04000042 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 55.5 83.6 M+H-H2O, M+H C22H34O4 -1.323395644 (22E)-3beta-Hydroxy-5alpha-chola-7,22-dien-24-oic Acid 373.2732746 8.975683333 LMST04010287 Unclassified Unclassified Unclassified Unclassified Unclassified 55.5 83.2 M+H-H2O, M+H C24H36O3 -1.440121367 Insignin A 347.2207986 11.36115 LMST02030222 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 55.4 83.3 M+H-H2O, M+H C21H32O5 -2.436169218 Serotonin 177.1021763 2.520666667 74 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives 2 C00780 55.4 79.8 M+H C10H12N2O -0.358459848 Threoninyl-Isoleucine 233.1493571 2.748266667 85957 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 55.4 80.2 M+H C10H20N2O4 -0.975685353 3,4-Dihydroxyphenylvaleric acid 211.0965542 5.1277 86111 Benzenoids Phenols Benzenediols Unclassified Unclassified 55.4 88.4 M+H C11H14O4 0.3274959 1alpha-hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid 389.2681952 8.9475 LMST03020022 Lipids and lipid-like molecules Sterol Lipids Secosteroids Unclassified Unclassified 55.4 82.0 M+H-H2O, M+H C24H36O4 -1.071088854 N-Acetyl-a-neuraminic acid 310.1130337 0.704816667 5739 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C19909 55.2 83.2 M+H C11H19NO9 -0.724485205 N-Acetyl-L-glutamic acid 190.0709096 1.042183333 3325 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00624 55.2 80.2 M+H, M+Na, M+H-H2O C7H11NO5 -0.472392775 9,10-epoxy-13-hydroxy-11-octadecenoic acid 313.2368823 11.23268333 74806 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 55.2 87.9 M+H C18H32O4 -1.452769192 Thornasterol A 415.3202433 11.28201667 LMST01010319 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 55.2 83.6 M+H-H2O, M+H C27H44O4 -0.990825845 L-beta-aspartyl-L-phenylalanine 281.1132766 4.650983333 62016 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 55.2 79.5 M+H C13H16N2O5 0.280483586 Wogonin 285.075399 6.92295 49754 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 55.2 81.0 M+H C16H12O5 -1.235449462 Carbacyclin 351.2525049 8.216633333 43396 Unclassified Unclassified Unclassified Unclassified Unclassified 55.2 80.9 M+H C21H34O4 -1.373480855 3alpha,12beta-Dihydroxy-5beta-chol-6-en-24-oic Acid 373.2732888 8.535433333 LMST04010221 Unclassified Unclassified Unclassified Unclassified Unclassified 55.2 81.1 M+H-H2O, M+H C24H38O4 -1.108622213 Tetradecan-7,9-diynoic acid 221.1533645 10.006 LMFA01031094 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 55.1 81.1 M+H C14H20O2 -1.098593122 Isovitexin 2''-O-(6'''-feruloyl)glucoside 771.2117622 5.66695 LMPK12110272 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 55.1 84.2 M+H C37H38O18 -1.7250148809999999 3-Deoxyguanosine 268.1038359 1.184816667 4149 Unclassified Unclassified Unclassified Unclassified Unclassified 55.0 77.4 M+H, M+Na C10H13N5O4 -0.728008095 L-Alloisoleucine 132.1019576 1.272816667 58006 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 55.0 82.5 M+H C6H13NO2 0.400683938 15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid 357.2782838 10.006 LMFA01050438 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 55.0 80.0 M+H-H2O, M+H C24H38O3 -1.39739074 4E,6E,10Z-Hexadecatrien-1-ol 237.2209895 11.36115 46149 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 55.0 82.8 M+H C16H28O -1.280583347 Hydroxyprolyl-Tyrosine 295.1288765 4.426716667 85781 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 55.0 79.7 M+H C14H18N2O5 0.096661041 (-)-Stercobilin 595.3482613 6.679716667 HMDB0240259 Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins 3 Unclassified 55.0 77.5 M+H, M+K, M+Na C33H46N4O6 -1.262441398 17-hydroxy stearic acid 318.2998645 9.270916667 LMFA02000135 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 55.0 79.2 M+NH4 C18H36O3 -1.352403546 Avenoleic acid 297.2420976 12.02326667 LMFA02000054 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 54.9 79.5 M+H-H2O, M+H C18H32O3 -0.958524086 1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 345.2419625 7.419333333 LMFA03010159 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 54.9 81.0 M+H-H2O, M+H C22H34O4 -1.266500836 1-O-(2-methoxy-4-hexadecenyl)-sn-glycerol 362.3259466 9.333816667 LMGL01020038 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 54.9 80.2 M+NH4 C20H40O4 -1.564639494 5'-Deoxyadenosine 252.1089129 1.070083333 63895 Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides Unclassified 1 C05198 54.8 86.5 M+H C10H13N5O3 -0.807869759 4-Pyridoxic acid 184.0604078 1.334433333 239 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C00847 54.8 76.6 M+H-H2O, M+H C8H9NO4 -0.01373722 3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid 373.2732441 9.793166667 LMST04010330 Unclassified Unclassified Unclassified Unclassified Unclassified 54.8 79.1 M+H-H2O, M+H C24H36O3 -1.366800986 Uracil 113.0348293 0.9714 258 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 2 C00106 54.7 81.7 M+H C4H4N2O2 2.459492992 2-Methoxyacetaminophen glucuronide 340.1027985 5.192583333 HMDB0240215 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 54.7 80.1 M+H-H2O C15H19NO9 0.295634171 Netilmicin 498.2885446 5.894166667 HMDB0015090 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C07657 54.7 80.5 M+Na C21H41N5O7 -2.682069708 16-J1-PhytoP 309.2056171 11.0503 LMFA02030067 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 54.6 81.1 M+H-H2O, M+H C18H28O4 -1.438077081 2E,6Z,8Z,12E-hexadecatetraenoic acid 249.1846101 11.71073333 LMFA01030277 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 54.6 78.7 M+H C16H24O2 -1.194005863 Farnesyl acetone 263.2366166 11.80243333 265036 Unclassified Unclassified Unclassified Unclassified Unclassified 54.6 77.6 M+H-H2O, M+H C18H30O -1.019824936 Acetylcarnitine 204.1229799 3.490866667 956 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 2 C02571 54.6 80.7 M+H C9H17NO4 -0.268682702 D-Sorbitol 183.0862702 0.704816667 143 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00794 54.5 75.9 M+H-H2O, M+H C6H14O6 0.00892391 N6-Acetyl-LL-2,6-diaminoheptanedioate 233.1130487 1.54975 63453 Unclassified Unclassified Unclassified Unclassified Unclassified 54.5 76.4 M+H C9H16N2O5 -0.643681698 3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid 389.268303 10.67678333 LMST04010348 Unclassified Unclassified Unclassified Unclassified Unclassified 54.5 78.9 M+H, M+NH4, M+Na, M+K, M+H-H2O C24H36O4 -0.857739723 (9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid 293.2107174 11.18393333 HMDB0033505 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 54.5 81.3 M+H-H2O C18H30O4 -1.301688343 Ethylenediamine-N,N'-di-a-butyric acid 233.1493364 2.356016667 2589 Unclassified Unclassified Unclassified Unclassified Unclassified 54.5 76.6 M+H C10H20N2O4 -1.064714795 Procaine 237.1595518 2.848133333 43314 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C07375 54.5 79.0 M+H C13H20N2O2 -0.85764776 N1,N10-Dicoumaroylspermidine 438.2386801 5.474733333 HMDB0033469 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 3 Unclassified 54.5 82.1 M+H C25H31N3O4 -0.1207359 Ursodeoxycholic acid 375.2882383 9.821666667 2982 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Unclassified C07880 54.5 84.9 M+H-H2O C24H40O4 -2.888582722 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose 309.1652455 0.607833333 HMDB0034879 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 Unclassified 54.4 76.5 M+H C12H24N2O7 -1.239893373 1,8-Diazacyclotetradecane-2,9-dione 227.1753571 4.76395 66151 Hydrocarbons Saturated hydrocarbons Cycloalkanes Unclassified Unclassified 54.4 73.9 M+H C12H22N2O2 -0.209278044 Oxindole 134.060113 5.66695 34541 Organoheterocyclic compounds Indoles and derivatives Indolines Unclassified C12312 54.4 74.6 M+H C8H7NO 0.54620037 L-Carnitine 162.1123659 0.67715 34532 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts 2 C00318 54.3 74.3 M+H C7H15NO3 -0.644520815 N-Alpha-acetyllysine 189.1232589 0.704816667 63102 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C12989 54.3 75.4 M+H C8H16N2O3 -0.584135616 KAPA 188.1281039 1.1264 3322 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C01092 54.3 77.0 M+H C9H17NO3 -0.085111454 Sphinganine 302.3049803 10.25611667 395 Organic nitrogen compounds Organonitrogen compounds Amines 2 C00836 54.3 76.9 M+H C18H39NO2 -1.24659331 Setariol 415.320226 10.59686667 95963 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 54.3 82.5 M+H C27H42O3 -1.075623578 Ciprostene 347.2575015 10.31675 45626 Unclassified Unclassified Unclassified Unclassified Unclassified 54.2 77.7 M+H-H2O, M+H C22H36O4 -1.564556462 Dehydrooreadone 252.1592678 5.745083333 HMDB0036046 Organoheterocyclic compounds Naphthofurans Unclassified Unclassified Unclassified 54.2 75.2 M+NH4 C14H18O3 -0.650126959 Benzenemethanol, 2-(2-hydroxypropoxy)-3-methyl- 197.1171446 6.202516667 1265 Unclassified Unclassified Unclassified Unclassified Unclassified 54.2 78.8 M+H C11H16O3 -0.388681842 9-deoxy-9-methylene-PGE2 333.242055 8.891216667 LMFA03010058 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 54.2 77.9 M+H-H2O, M+H C21H34O4 -1.045960149 N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine 167.0926609 0.7464 73404 Unclassified Unclassified Unclassified Unclassified Unclassified 54.1 77.5 M+H C7H10N4O -0.460590939 Asparaginyl-Valine 232.1290487 1.394083333 HMDB0028744 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 54.1 76.1 M+H C9H17N3O4 -0.578647273 Cynaratriol 265.1431711 6.218066667 HMDB0034983 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 54.1 82.7 M+H-H2O, M+Na, M+NH4, M+H C15H22O5 -0.93731522 N5-(L-1-Carboxyethyl)-L-ornithine 205.1181516 1.042183333 66140 Unclassified Unclassified Unclassified Unclassified Unclassified 54.0 72.6 M+H C8H16N2O4 -0.64598144 Tyramine glucuronide 314.1232508 1.070083333 HMDB0010328 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03033 54.0 73.9 M+H-H2O, M+H C14H19NO7 0.060283611 1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate 478.292465 12.16483333 HMDB0062313 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 54.0 79.5 M+NH4 C23H41O7P -0.762225033 Geranylcitronellol 310.3100029 14.68858333 HMDB0032147 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 54.0 75.2 M+NH4 C20H36O -1.499810686 Phenylalanyl-Asparagine 262.1185849 4.8098 HMDB0028990 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 54.0 74.9 M+H-H2O C13H17N3O4 -0.117904724 Glutamyltryptophan 334.1397723 5.0956 HMDB0028830 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 54.0 77.6 M+H C16H19N3O5 0.075555134 Tauroursocholic acid 516.298391 6.818416667 LMST05040014 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 54.0 77.6 M+H, M+NH4, M+Na, M+H-H2O C26H45NO7S -1.085289861 18R-HEPE 336.2527878 7.843266667 HMDB0012611 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 54.0 74.9 M+NH4 C20H30O3 -1.673388373 N-[[3-Hydroxy-2-(2-pentenyl)cyclopentyl]acetyl]isoleucine 326.2321537 8.608466667 95666 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 54.0 75.6 M+H-H2O, M+H C18H31NO4 -1.429926275 Enalaprilat 349.175669 5.2563 2533 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C11720 53.9 72.6 M+H C18H24N2O5 -0.371539692 Corchorifatty acid D 309.2057163 6.44925 89110 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 53.9 73.3 M+H C18H28O4 -1.036813356 3alpha,12alpha-Dihydroxy-5beta-chola-8,14-dien-24-oic Acid 389.2681367 7.974333333 LMST04010349 Unclassified Unclassified Unclassified Unclassified Unclassified 53.9 76.5 M+H-H2O, M+H C24H36O4 -0.944245373 N1-Acetylspermidine 188.1756359 0.607833333 3323 Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids 1 C00612 53.8 73.1 M+H C9H21N3O -0.549573119 Xanthine 153.0406807 1.0006 HMDB0000292 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 3 C00385 53.8 75.0 M+H C5H4N4O2 -0.138693969 20-hydroxy-eicosanoic acid 346.3311584 10.85656667 LMFA01050075 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 53.8 75.7 M+NH4 C20H40O3 -1.255660187 octadeca-11E,13E,15Z-trienoic acid 296.2580889 11.568 LMFA01030777 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 53.8 75.6 M+NH4 C18H30O2 -1.138936056 6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid 353.2469587 7.25285 LMPK15040005 Lipids and lipid-like molecules Polyketides Phenolic lipids Unclassified Unclassified 53.8 76.0 M+H-H2O C24H34O3 -1.480153787 delta2-THA 355.2626121 8.535433333 LMFA01030852 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 53.8 74.9 M+H-H2O, M+H C24H34O2 -1.803216136 16-hydroxy-9E-hexadecenoic acid 271.2264252 8.578083333 LMFA01050192 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 53.8 77.9 M+H-H2O, M+H C16H30O3 -1.341711446 PS(O-16:0/0:0) 484.3013484 6.061516667 LMGP03060003 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 53.7 78.1 M+H C22H46NO8P -4.204608947 15-HETE-Gly 395.2899601 8.103666667 LMFA08020143 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 53.7 76.1 M+NH4 C22H35NO4 -1.25659113 4E,6Z,10Z-Hexadecatrien-1-ol 237.2210121 13.35076667 LMFA05000201 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 53.6 72.4 M+H C16H28O -1.184618625 Asparaginyl-Isoleucine 246.1446015 2.142083333 85649 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.6 73.2 M+H, M+Na C10H19N3O4 -0.942546893 Tyrosyl-Isoleucine 295.165225 4.9001 86000 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.6 70.6 M+H C15H22N2O4 -0.029470123 11beta,17alpha,21-trihydroxypregnenolone 365.2321386 5.079183333 57862 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05489 53.6 73.2 M+H C21H32O5 -0.307351482 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine 558.3454982 9.614566667 LMST05040007 Unclassified Unclassified Unclassified Unclassified Unclassified 53.6 78.4 M+H, M+NH4, M+Na, M+K, M+H-H2O C29H51NO7S -0.721722123 Creatine 132.0767727 0.704816667 7 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00300 53.5 73.0 M+H C4H9N3O2 0.150868814 Levan 527.1604698 1.243816667 HMDB0003539 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01355 53.5 76.8 M+H, M+K, M+Na C18H32O16 4.433486569 6alpha-Carissanol 253.1796961 5.427633333 HMDB0035309 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 53.5 73.0 M+H-H2O, M+H C15H24O3 -0.523548519 N-arachidonoylglycinate 379.2950297 8.314966667 HMDB0062617 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.5 73.8 M+NH4 C22H35NO3 -1.355935644 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid 391.2837436 8.975683333 LMST04010339 Unclassified Unclassified Unclassified Unclassified Unclassified 53.5 72.8 M+H-H2O, M+H, M+Na, M+NH4 C24H40O5 -1.328729931 3alpha,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 389.2681416 9.63115 LMST04010291 Unclassified Unclassified Unclassified Unclassified Unclassified 53.5 73.5 M+H-H2O, M+H C24H38O5 -1.217040269 5-Aminopentanoic acid 118.0864574 0.7879 6902 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00431 53.4 74.6 M+H C5H11NO2 1.728356471 Glycylproline 155.0814297 0.7879 4185 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.4 70.9 M+H-H2O, M+H C7H12N2O3 -0.431896547 Corey PG-Lactone Diol 269.1746625 5.272583333 63037 Unclassified Unclassified Unclassified Unclassified Unclassified 53.4 69.6 M+H C15H24O4 -0.272728653 N-Acetyl-L-phenylalanine 208.0967534 5.776783333 34536 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C03519 53.4 73.5 M+H C11H13NO3 -0.320195372 2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide 261.1118802 6.61485 HMDB0036662 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 53.4 74.5 M+H-H2O C15H18O5 -0.917533204 Gamma-Linolenic acid 279.2315481 8.733933333 HMDB0003073 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 3 C06426 53.4 74.6 M+H C18H30O2 -1.109035289 Threoninyl-Valine 219.1337718 1.140533333 85967 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.3 70.0 M+H C9H18N2O4 -0.741198693 Asparaginyl-Tyrosine 296.1239919 1.46935 85658 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.3 74.6 M+H C13H17N3O5 -0.356437119 Gentamicin 460.3112742 5.319616667 HMDB0014936 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C00505 53.3 75.0 M+H-H2O C21H43N5O7 -3.532832932 (-)-11-hydroxy-9,10-dihydrojasmonic acid 211.1327873 5.635316667 LMFA02020012 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 53.3 71.6 M+H-H2O, M+H C12H20O4 -0.366235651 Tanacetin 247.1326653 6.2338 HMDB0035715 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 53.3 81.1 M+H-H2O C15H20O4 -0.778292203 Lucidone C 405.263141 8.200533333 92893 Lipids and lipid-like molecules Steroids and steroid derivatives Oxosteroids 1 Unclassified 53.3 73.0 M+H C24H36O5 -1.013428482 16,16-dimethyl-PGA2 363.2526761 8.282466667 36154 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 53.3 73.4 M+H C22H34O4 -0.855603647 (E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene 232.132928 8.861016667 HMDB0029553 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 53.3 72.0 M+NH4 C14H14O2 -1.294687893 4-(Glutamylamino) butanoate 233.1129714 1.318883333 62824 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C15767 53.2 71.5 M+H C9H16N2O5 -0.976291476 (2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 190.1074382 1.43835 66366 Unclassified Unclassified Unclassified Unclassified Unclassified 53.2 68.7 M+H C8H15NO4 0.284521965 19-norandrosterone 294.2424061 11.08093333 LMST02010042 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 Unclassified 53.2 77.9 M+NH4 C18H28O2 -1.265470886 Glutaminyl-Leucine 260.1602441 2.1582 85715 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.2 70.9 M+H C11H21N3O4 -0.920113745 12-hydroxy-3Z,6Z-dodecadienoic acid 213.1484272 5.50615 74549 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 53.2 68.5 M+H, M+K, M+H-H2O C12H20O3 -0.441720553 N2-Malonyl-D-tryptophan 291.0973718 5.76095 65974 Unclassified Unclassified Unclassified Unclassified Unclassified 53.2 69.9 M+H, M+Na, M+H-H2O C14H14N2O5 -0.607256795 Methyl 1-methoxy-1H-indole-3-carboxylate 206.0810297 6.399633333 88682 Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Unclassified Unclassified 53.2 69.5 M+H, M+Na C11H11NO3 -0.682348401 15-HETE-EA 381.3106223 8.961616667 LMFA08040040 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 53.2 77.2 M+NH4 C22H37NO3 -1.506497083 3-Oxocholic acid 407.2788777 9.25525 57908 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 53.2 70.5 M+H, M+Na C24H38O5 -0.795120465 Valyl-Lysine 228.1704673 1.243816667 HMDB0029132 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.1 70.9 M+H-H2O C11H23N3O3 -0.759014204 Asperagenin 431.3151624 10.37563333 HMDB0034293 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 53.0 78.5 M+H-H2O, M+H C27H44O5 -0.945520289 Pectachol 460.2689189 10.6612 HMDB0039064 Phenylpropanoids and polyketides Coumarins and derivatives Unclassified Unclassified Unclassified 53.0 72.9 M+NH4 C26H34O6 -1.007237295 4E,14Z-Sphingadiene 280.2631958 11.31523333 LMSP01080002 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 53.0 73.4 M+H-H2O C18H35NO2 -0.993547847 p-CHLOROPHENYLALANINE 200.0472975 4.294566667 44308 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Unclassified Unclassified Unclassified 53.0 90.3 M+H C9H10ClNO2 0.074546236 Okanin 4'-gentiobioside 595.1653321 5.697833333 LMPK12120166 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 53.0 72.1 M+H-H2O C27H32O16 -0.677187014 eurysterol A sulfonic acid 497.2925812 9.350316667 LMST05020034 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified Unclassified 53.0 79.0 M+H-H2O C27H46O7S -1.079938177 9(S)-HpODE 295.2264207 9.976083333 36019 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C14827 53.0 75.4 M+H-H2O, M+H C18H32O4 -1.122710508 Allopurinol-1-ribonucleoside 269.0878723 1.098383333 867 Nucleosides, nucleotides, and analogues Pyrazolo[3,4-d]pyrimidine glycosides Unclassified Unclassified Unclassified 52.9 67.2 M+H, M+Na C10H12N4O5 -0.647738483 Ophthalmic acid 290.1344526 1.5667 HMDB0005765 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.9 67.3 M+H, M+Na C11H19N3O6 -0.723318421 12-hydroxy-9-octadecynoic acid 279.2315956 10.67678333 LMFA02000217 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 52.9 71.3 M+H-H2O C18H32O3 -0.881035174 Panaquinquecol 5 203.1428871 11.78728333 93935 Organoheterocyclic compounds Epoxides Unclassified Unclassified Unclassified 52.9 67.6 M+H C14H18O -0.764601892 Glycyl-Isoleucine 189.1232685 2.356016667 85755 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.9 74.8 M+H C8H16N2O3 -0.53330482 Leucylproline 229.1546868 4.426716667 HMDB0011175 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 52.9 66.8 M+H C11H20N2O3 0.078299437 Phenylalanyl-Aspartate 281.1132791 4.491716667 HMDB0028991 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.9 68.0 M+H, M+Na C13H16N2O5 0.289404646 Riboflavin (Vitamin B2) 377.1454155 5.1774 233 Unclassified Unclassified Unclassified Unclassified Unclassified 52.9 70.4 M+H, M+Na C17H20N4O6 -0.386271689 Soraphen O 309.2056985 6.266266667 71101 Unclassified Unclassified Unclassified Unclassified Unclassified 52.9 69.4 M+H C18H28O4 -1.094395861 (9R,13R)-10-oxo-11-phytoenoic acid 317.210702 7.82765 LMFA02010002 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 52.9 74.3 M+NH4, M+Na C18H30O3 -1.639059024 (9R,13R)-1a,1b-dihomo-jasmonic acid 221.1534142 0.0372 LMFA02010010 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 52.8 68.3 M+H-H2O C14H22O3 -0.806856978 Thiamine 265.1115937 0.635583333 229 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 2 C00378 52.8 68.2 M+H C12H16N4OS -0.624474167 Urocanic acid 139.0501809 0.7879 298 Organoheterocyclic compounds Azoles Imidazoles 2 C00785 52.8 72.1 M+H-H2O, M+H C6H6N2O2 1.047200049 Lysyl-Proline 226.1548351 1.056116667 HMDB0028959 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.8 69.3 M+H-H2O C11H21N3O3 -0.691669964 N-Methyl-4-pyridone-3-carboxamide 153.0657165 1.2294 1502 Unclassified Unclassified Unclassified Unclassified Unclassified 52.8 68.1 M+H C7H8N2O2 -0.903819044 Urocortisone 347.2212842 10.6612 LMST02030098 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 52.8 70.4 M+H-H2O, M+H, M+Na C21H32O5 -1.102812499 15-hydroxy stearic acid 283.2628281 12.32238333 LMFA02000133 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 52.8 69.1 M+H-H2O, M+H C18H36O3 -1.094552567 Valyl-Phenylalanine 265.1546614 4.966716667 86026 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.8 66.3 M+H C14H20N2O3 -0.028683175 Formylfusarochromanone 303.1339481 5.3798 HMDB0038970 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 52.8 69.4 M+H-H2O C16H20N2O5 0.045649922 Tetradecanedioic acid 259.1900139 6.0926 5833 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 52.8 72.1 M+H-H2O, M+H C14H26O4 -1.523656082 (-)-Illudin S 265.1435135 8.119833333 LMPR0103590002 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 52.8 71.1 M+H-H2O, M+H C15H20O4 -1.077357935 Soyasaponin II 913.5142793 9.598433333 HMDB0034650 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 C12081 52.8 68.2 M+H-H2O, M+Na, M+H, M+K C47H76O17 -1.454355801 Methenamine 141.1133439 14.10308333 43250 Organoheterocyclic compounds Triazinanes 1,3,5-triazinanes Unclassified Unclassified 52.7 72.1 M+H C6H12N4 -0.920436859 6''-O-Malonyldaidzin 503.1180768 5.7291 HMDB0041263 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Unclassified C16191 52.7 67.0 M+H, M+K, M+Na C24H22O12 -0.648888355 9,10,16-trihydroxy palmitic acid 305.2318091 6.9078 35478 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 52.7 70.9 M+H-H2O, M+H C16H32O5 -0.902526843 Norselic acid B 457.3307001 7.502433333 LMST01040191 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 52.7 72.0 M+H-H2O, M+H C29H44O4 -1.246164392 Tocopheronic acid 277.1431867 7.941333333 HMDB0030555 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 52.7 70.5 M+H-H2O, M+Na, M+H C16H22O5 -0.846051713 13-HOTE 295.2264393 8.249916667 HMDB0010203 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 52.7 74.0 M+H-H2O, M+H C18H30O3 -1.082604731 N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propanimidic acid 253.1544922 1.783966667 HMDB0139534 Benzenoids Phenols Benzenediols Unclassified Unclassified 52.6 74.2 M+H C13H20N2O3 -0.700850063 12-hydroxy-10E-octadecenoic acid 299.2577235 12.54203333 35565 Unclassified Unclassified Unclassified Unclassified Unclassified 52.6 69.3 M+H C18H34O3 -1.166242347 Valyl-Valine 217.154467 2.256333333 HMDB0029140 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.6 67.6 M+H C10H20N2O3 -0.934094823 Hippuric acid 180.0655608 5.047433333 1301 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C01586 52.6 69.1 M+H C9H9NO3 0.230279392 5-Pentyl-2-furanheptanoic acid 267.1951312 8.314966667 HMDB0112092 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 52.6 67.2 M+H-H2O, M+H C16H26O3 -1.225267208 Blennin D 267.1586998 9.793166667 HMDB0031902 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 52.6 69.8 M+H-H2O, M+H C15H22O4 -1.276001192 D-Urobilin 589.3013929 9.911833333 HMDB0004161 Unclassified Unclassified Unclassified Unclassified Unclassified 52.6 73.2 M+H C33H40N4O6 -1.136346892 Aspartylglycosamine 318.1292797 0.73255 HMDB0000489 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C04540 52.5 74.2 M+H-H2O C12H21N3O8 -0.88545105 Glycyl-Valine 175.1076442 1.140533333 85763 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.5 68.1 M+H C7H14N2O3 -0.428327693 L-Urobilinogen 597.3638987 10.0824 HMDB0004157 Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins 2 C05789 52.5 66.8 M+H, M+K C33H48N4O6 -1.27939479 3alpha,12alpha-Dihydroxy-5beta-chol-7-en-24-oic Acid 408.3102985 11.1235 LMST04010222 Unclassified Unclassified Unclassified Unclassified Unclassified 52.5 70.2 M+NH4, M+Na, M+K C24H38O4 -1.375359681 Serinyl-Isoleucine 219.1337704 2.356016667 85935 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.5 65.2 M+H C9H18N2O4 -0.747855074 (R)-Higenamine 289.1543502 6.75725 HMDB0033103 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Unclassified C06346 52.5 68.6 M+NH4 C16H17NO3 -1.175464751 3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid 392.3152315 7.519116667 LMST04010211 Unclassified Unclassified Unclassified Unclassified Unclassified 52.5 68.8 M+NH4 C24H38O3 -1.841136684 L-beta-aspartyl-L-glutamic acid 263.0871942 0.73255 62013 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 52.4 68.4 M+H C9H14N2O7 -0.698277825 Benzofuran 136.0757494 1.028333333 70116 Organoheterocyclic compounds Benzofurans Unclassified Unclassified C14512 52.4 64.9 M+H, M+NH4 C8H6O 1.792901404 Valyl-Arginine 256.1765897 1.5832 HMDB0029121 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.4 66.1 M+H-H2O C11H23N5O3 -0.774704773 gamma-Glutamylvaline 247.1286702 1.8003 HMDB0011172 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.4 66.8 M+H C10H18N2O5 -0.722721354 Glycylleucine 189.1232876 2.716533333 HMDB0000759 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C02155 52.4 71.9 M+H C8H16N2O3 -0.431598265 Tyrosyl-Alanine 253.1180672 3.593083333 HMDB0029098 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.4 66.3 M+H C12H16N2O4 -0.857696554 Artemin 249.1483389 5.82695 HMDB0034696 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 52.4 70.8 M+H-H2O C15H22O4 -0.684015552 Theaflavic acid 429.0813697 6.202516667 HMDB0040609 Phenylpropanoids and polyketides Flavonoids Flavans Unclassified Unclassified 52.4 66.4 M+H C21H16O10 -0.592132189 Dodecanoylcarnitine 344.2790638 6.788383333 34490 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 52.4 68.6 M+H, M+Na, M+H-H2O C19H37NO4 -1.373101394 25-Hydroxyvitamin D3-26,23-lactone 411.2885485 7.30255 HMDB0060126 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 52.4 74.7 M+H-H2O, M+H C27H40O4 -1.92171991 gamma-CEHC 247.1325905 7.535616667 HMDB0001931 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 52.4 70.6 M+H-H2O, M+NH4 C15H20O4 -1.061498345 (20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid 353.2468754 9.598433333 LMST04010318 Unclassified Unclassified Unclassified Unclassified Unclassified 52.4 69.7 M+H-H2O C24H34O3 -1.705168164 L-2-Amino-5-hydroxypentanoic acid 134.0811539 0.67715 87840 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.3 63.5 M+H C5H11NO3 -0.118425106 Petasalbin 235.1689781 11.6807 HMDB0035639 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 52.3 66.3 M+H C15H22O2 -1.188501597 Limonene-1,2-epoxide 153.1273431 3.67825 41092 Organoheterocyclic compounds Oxepanes Unclassified Unclassified C07271 52.3 63.5 M+H C10H16O -0.318637388 Genistein 7-O-glucoside-4'-O-apioside 565.1549686 5.272583333 LMPK12050177 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 52.3 64.2 M+H C26H28O14 -0.378203772 Genistin 433.112764 5.76095 45735 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides 1 C09126 52.3 68.5 M+H C21H20O10 -0.368641151 3,4,5-trihydroxy-6-(2-hydroxy-1,2-diphenylethoxy)oxane-2-carboxylic acid 373.1278926 6.399633333 HMDB0135201 Phenylpropanoids and polyketides Stilbenes Stilbene glycosides Unclassified Unclassified 52.3 68.1 M+H-H2O, M+NH4, M+Na C20H22O8 -0.735088636 3alpha-Hydroxy-12-oxo-5beta-chol-7-en-24-oic Acid 389.2682317 7.186683333 LMST04010359 Unclassified Unclassified Unclassified Unclassified Unclassified 52.3 70.3 M+H-H2O, M+H C24H36O4 -1.035765014 2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol 193.158613 7.419333333 91721 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 52.3 69.4 M+H C13H20O -0.409424371 Acorusnol 219.1740996 8.704616667 HMDB0030920 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 52.3 70.5 M+H-H2O C15H24O2 -1.02535206 1-Methyl-5-imidazoleacetic acid 141.0657921 0.704816667 3776 Organoheterocyclic compounds Azoles Imidazoles Unclassified Unclassified 52.2 68.2 M+H C6H8N2O2 -0.441353975 NICOTINYL 110.0603735 1.01445 44459 Unclassified Unclassified Unclassified Unclassified Unclassified 52.2 70.3 M+H C6H7NO 3.055151659 Arginyl-Proline 254.1609156 1.349116667 HMDB0028717 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.2 75.0 M+H-H2O C11H21N5O3 -0.86907719 2-tridecene-4,7-diynal 189.1272347 11.4543 75354 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Unclassified Unclassified 52.2 65.2 M+H C13H16O -0.834079622 Valyl-Methionine 249.1266141 2.289266667 HMDB0029133 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.2 68.4 M+H C10H20N2O3S -0.507335455 trans-trans-muconic acid 143.0338946 1.21445 6639 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 52.1 64.6 M+H C6H6O4 0.066748461 Glycyl-Tyrosine 239.1024569 1.500583333 85762 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.1 65.7 M+H C11H14N2O4 -0.7410825 5Z,8Z,11Z,14Z,17Z-octadecapentaenoic acid 275.200207 10.006 LMFA02000349 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 52.1 67.0 M+H C18H26O2 -1.274567195 3,4,17-trihydroxy-9,10-seco-androsta-1,3,5(10)-triene-9-one 319.1899429 10.64501667 LMST02020116 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 52.1 68.8 M+H-H2O, M+H C19H26O4 -1.016706717 Butyl salicylate 195.1014848 10.83986667 HMDB0040730 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 Unclassified 52.1 66.4 M+H C11H14O3 -0.442933251 2,22-Dideoxy-3-dehydroecdysone 431.3151534 11.0503 64607 Unclassified Unclassified Unclassified Unclassified Unclassified 52.1 72.5 M+H C27H42O4 -1.005923633 2,3-Dinor-TXB1 325.2369097 11.31523333 LMFA03030012 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 52.1 68.1 M+H-H2O C19H34O5 -1.245307287 3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al 365.2321419 5.3798 57884 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05474 52.1 67.6 M+H C21H32O5 -0.298405484 11-hydroperoxy-12,13-epoxy-9-octadecenoic acid 346.258379 6.61485 LMFA02000106 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 52.1 69.2 M+NH4 C18H32O5 -1.281579423 2E,6E,8E,10E-dodecatetraenoic acid 193.1222286 6.772616667 34906 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 52.1 69.5 M+H C12H16O2 -0.40381091 Acetylenic acids; 17-Octadecen-9-ynoic acid 279.2315736 8.103666667 74219 Unclassified Unclassified Unclassified Unclassified Unclassified 52.1 67.3 M+H-H2O, M+H C18H30O2 -0.778288462 1-Aminocyclohexanecarboxylic acid 144.1018926 0.7464 6589 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 52.0 62.2 M+H C7H13NO2 -0.08723883 alpha-(Methylenecyclopropyl)glycine 128.070729 0.76025 66890 Unclassified Unclassified Unclassified Unclassified Unclassified 52.0 64.7 M+H C6H9NO2 0.976255631 15-hydroxy-9Z,12Z-Octadecadienoic acid 279.2315758 11.55166667 LMFA02000316 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 52.0 67.9 M+H-H2O, M+Na C18H32O3 -0.947889927 Porphobilinogen 227.1024644 2.4209 76 Organic nitrogen compounds Organonitrogen compounds Amines 2 C00931 52.0 63.7 M+H C10H14N2O4 -0.747520431 (2S,4S)-Monatin 293.113156 4.47545 95722 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.0 65.3 M+H C14H16N2O5 -0.143942365 N1,N12-Diacetylspermine 287.2439406 0.64945 6525 Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids Unclassified C03413 51.9 64.9 M+H C14H30N4O2 -0.740669698 Glycyl-Methionine 207.0797271 1.21445 85757 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.9 67.9 M+H C7H14N2O3S -0.304165718 Threoninyl-Tyrosine 283.1287696 1.616233333 85966 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.9 65.1 M+H C13H18N2O5 -0.278351838 Linoleoyl ethanolamide 324.2892547 12.30685 HMDB0012252 Organic nitrogen compounds Organonitrogen compounds Amines 3 Unclassified 51.9 67.3 M+H C20H37NO2 -1.395711517 7-hydroxyoct-7-enoylglycine 216.1232191 4.55555 HMDB0094779 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.9 64.4 M+H C10H17NO4 0.858395657 [4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenyl]oxidanesulfonic acid 351.0165115 6.416 HMDB0129972 Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Unclassified Unclassified 51.9 67.0 M+H, M+Na C15H10O8S -1.151932223 3,4-dimethyl-5-carboxyethyl-2-furanhexanoic acid 283.153692 7.891566667 LMFA01150061 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 51.9 68.2 M+H, M+Na C15H22O5 -1.092437415 Cytosine 112.050832 0.67715 HMDB0000630 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 3 C00380 51.8 65.0 M+H C4H5N3O 2.645223317 9-hydroxy-5Z-nonenoic acid 190.1436647 1.303766667 LMFA01050232 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 51.8 62.7 M+NH4 C9H16O3 -0.611492069 7-hydroxyoct-4-enoylglycine 216.1229354 3.338 HMDB0094776 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.8 66.8 M+H C10H17NO4 -0.460429738 Isoproterenol 212.1281172 5.223183333 852 Benzenoids Phenols Benzenediols 2 C07056 51.8 65.2 M+H C11H17NO3 -0.012735416 Serratine 280.1904509 6.18665 67996 Unclassified Unclassified Unclassified Unclassified Unclassified 51.8 65.5 M+H C16H25NO3 -0.964114223 12-HETE-GABA 406.294305 6.465933333 75528 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 51.8 72.5 M+H C24H39NO4 -2.171810858 (S)-p-Mentha-1,8-dien-10-yl acetate 195.1378595 7.419333333 92001 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 51.8 65.3 M+H C12H18O2 -0.49852328 17a-Hydroxypregnenolone 333.2420377 7.8755 41866 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 2 C05138 51.8 63.3 M+H C21H32O3 -1.154661693 Emmotin A 261.1482184 8.168216667 LMPR0103200001 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 51.8 63.8 M+H-H2O, M+Na, M+NH4, M+K C16H22O4 -1.087499208 Resibufogenin 385.2368111 9.449533333 71531 Unclassified Unclassified Unclassified Unclassified Unclassified 51.8 67.0 M+H C24H32O4 -1.365817187 Longifolenaldehyde 221.1897437 9.7363 265087 Unclassified Unclassified Unclassified Unclassified Unclassified 51.8 65.6 M+H-H2O, M+H C15H24O -0.709027996 THTC 150.0584188 1.0006 68817 Unclassified Unclassified Unclassified Unclassified Unclassified 51.7 68.4 M+H, M+NH4 C5H8O2S 1.049889486 Isoleucyl-Asparagine 246.1445852 1.084133333 85808 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.7 67.7 M+H, M+K C10H19N3O4 -1.009108256 Lysyl-Phenylalanine 294.1811353 1.533116667 85860 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.7 65.0 M+H C15H23N3O3 -0.282291765 Buddledin A 277.1795468 10.0824 67850 Unclassified Unclassified Unclassified Unclassified Unclassified 51.7 65.7 M+H C17H24O3 -0.992922042 Hydroxyprolyl-Isoleucine 245.1493508 3.8315 85773 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.7 65.1 M+H C11H20N2O4 -0.953501421 L-alpha-Amino-1H-pyrrole-1-hexanoic acid 197.1285367 4.6987 95039 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 51.7 62.5 M+H C10H16N2O2 0.420835943 Methyl 5-hydroxyoxindole-3-acetate 222.075958 5.76095 93597 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 51.7 61.5 M+H, M+Na C11H11NO4 -0.570998909 PGB3 333.2056294 6.878166667 36190 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 51.7 64.4 M+H C20H28O4 -1.223348564 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedione 188.1068667 7.90815 HMDB0040046 Organoheterocyclic compounds Pyrrolizines Unclassified Unclassified Unclassified 51.7 72.2 M+H-H2O C12H15NO2 -0.603643203 METHACHOLINE 160.1331505 0.76025 43545 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Unclassified C07471 51.6 59.8 M+H-H2O, M+H C8H17NO2 0.099394844 L-Urobilin 595.3482521 10.0824 HMDB0004159 Unclassified Unclassified Unclassified Unclassified Unclassified 51.6 70.8 M+H C33H46N4O6 -1.277931774 (6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide 251.1638985 10.75773333 HMDB0035148 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 51.6 61.4 M+H-H2O, M+H C15H22O3 -0.938375302 Metabutethamine 237.1595375 4.096833333 71881 Unclassified Unclassified Unclassified Unclassified Unclassified 51.6 61.8 M+H C13H20N2O2 -0.917948596 Sulfoglycolithocholic acid 514.2826615 6.892733333 LMST05030015 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C15557 51.6 66.5 M+H, M+NH4, M+H-H2O C26H43NO7S -1.244250982 Methsuximide 204.1017494 7.82765 HMDB0015611 Organoheterocyclic compounds Pyrrolidines Phenylpyrrolidines Unclassified Unclassified 51.6 64.9 M+H C12H13NO2 -0.766454542 Procurcumenol 235.168969 8.9475 HMDB0036427 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 51.6 62.7 M+H-H2O, M+H C15H22O2 -0.913748435 Leucyl-Lysine 260.1967688 1.453516667 HMDB0028934 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.5 63.0 M+H C12H25N3O3 -0.383274587 Toxoflavine 194.0672788 1.767216667 71343 Unclassified Unclassified Unclassified Unclassified Unclassified 51.5 77.4 M+H C7H7N5O2 0.144608259 Dihydroxychaulmoogric acid 330.2633852 10.05065 LMFA01140029 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 51.5 66.3 M+NH4 C18H32O4 -1.600930751 (+)-12-hydroxy-9Z-hexadecenoic acid 271.226442 11.63391667 35625 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 51.5 65.7 M+H C16H30O3 -1.218608221 Isoleucyl-Lysine 242.1860889 2.748266667 HMDB0028912 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.5 60.4 M+H-H2O C12H25N3O3 -0.827551627 (9S,13S)-1a,1b-dihomo-jasmonic acid 221.1534634 3.67825 LMFA02010011 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 51.5 62.4 M+H-H2O C14H22O3 -0.600105532 5-Methoxyindoleacetate 206.0810995 5.894166667 7016 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives 2 C05660 51.5 69.2 M+H-H2O, M+H C11H11NO3 -0.19231835 (-)-trans-C75 255.1588796 5.994866667 96552 Unclassified Unclassified Unclassified Unclassified Unclassified 51.5 68.6 M+H C14H22O4 -0.810538131 (2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone 281.1170512 6.044966667 70680 Unclassified Unclassified Unclassified Unclassified Unclassified 51.5 62.3 M+H C18H16O3 -0.605621642 Crispolide 263.1275136 6.465933333 HMDB0036695 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 51.5 70.7 M+H-H2O C15H20O5 -0.970574157 cis-Resveratrol 4'-O-glucuronide 387.1069605 6.892733333 HMDB0041713 Phenylpropanoids and polyketides Stilbenes Stilbene glycosides Unclassified Unclassified 51.5 62.4 M+H-H2O C20H20O9 -1.196348961 13-hydroxy-tridecanoic acid 213.1846929 7.120433333 LMFA01050042 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 51.5 65.9 M+H-H2O C13H26O3 -0.927601461 8-Hydroxy-4(6)-lactarene-5,14-diol 237.184644 7.419333333 HMDB0035780 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 51.5 68.8 M+H-H2O, M+NH4 C15H26O3 -1.032487366 10,13,16-Docosatriynoic acid 329.2470286 10.33101667 LMFA01030685 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 51.4 63.7 M+H-H2O, M+H C22H32O2 -1.997903651 (1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one 217.1584811 10.39106667 HMDB0036449 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 51.4 64.9 M+H-H2O C15H22O2 -0.899398089 Scillirosidin 460.2689598 10.90575 LMST01130002 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 51.4 67.6 M+NH4 C26H34O6 -0.914658563 N-stearoyl valine 384.3467293 14.35463333 75504 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 51.4 64.1 M+H, M+Na C23H45NO3 -1.281956304 Atenolol 267.1701363 4.2137 1128 Benzenoids Benzene and substituted derivatives Phenylacetamides Unclassified C13235 51.4 60.8 M+H C14H22N2O3 -0.686586311 Valyl-Isoleucine 231.1703316 4.55555 86022 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.4 59.3 M+H C11H22N2O3 0.054737655 Hydroxyl frovatriptan 262.1548833 5.682066667 HMDB0061150 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 51.4 66.5 M+H C14H19N3O2 -0.459511208 alantolactone 233.1533672 6.202516667 53412 Lipids and lipid-like molecules Prenol lipids Terpene lactones Unclassified C09289 51.4 62.2 M+H C15H20O2 -1.029995786 Triethyl phosphate 183.0779241 6.6307 62875 Unclassified Unclassified Unclassified Unclassified Unclassified 51.4 60.2 M+H C6H15O4P -0.812502123 N-Acetylputrescine 131.1179432 0.718683333 3252 Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids 2 C02714 51.3 61.6 M+H C6H14N2O 0.412385196 Imidazolepropionic acid 123.0554495 0.76025 HMDB0002271 Organoheterocyclic compounds Azoles Imidazoles 2 C20522 51.3 61.4 M+H-H2O C6H8N2O2 1.144196249 Isoleucyl-Aspartate 247.1285992 3.2875 HMDB0028903 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.3 59.3 M+H, M+Na C10H18N2O5 -1.011349881 Valyl-Leucine 231.1701204 3.983116667 HMDB0029131 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 51.3 60.1 M+H C11H22N2O3 -0.862679702 Glucosamine 162.075994 0.7879 HMDB0001514 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00329 51.2 62.1 M+H-H2O C6H13NO5 -0.503926862 gamma-Glutamyl-S-methylcysteine 265.0851578 1.43835 88096 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.2 60.5 M+H C9H16N2O5S -0.421434377 N6-Methyl-2'-deoxyadenosine 266.1244607 1.96585 66047 Unclassified Unclassified Unclassified Unclassified Unclassified 51.2 65.2 M+H C11H15N5O3 -1.150873815 Valclavam 330.165534 2.387916667 66481 Unclassified Unclassified Unclassified Unclassified Unclassified 51.2 61.6 M+H C14H23N3O6 -1.3000739 3-(4-Hydroxy-3-methoxyphenyl)propionic acid 179.0702715 5.1774 3803 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 51.2 59.7 M+H-H2O, M+H C10H12O4 0.004636784 2-Phenylpropyl acetate 179.1066074 5.6028 71847 Unclassified Unclassified Unclassified Unclassified Unclassified 51.2 63.8 M+H C11H14O2 -0.273540331 Tanacetol A 277.1795653 11.1524 HMDB0035722 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 51.1 61.8 M+H-H2O C17H26O4 -0.869437079 Matricin 324.1802365 2.07725 LMPR0103410003 Organoheterocyclic compounds Lactones Gamma butyrolactones Unclassified C09499 51.1 58.4 M+NH4 C17H22O5 -1.021762284 (S)-4-(4-Methylphenyl)-2-pentanone 177.1273522 5.50615 89756 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 51.1 59.8 M+H-H2O, M+H C12H16O -0.748488942 6,9,12,15,18,21-Tetracosahexaenoic acid 357.2784062 8.266283333 HMDB0013025 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 51.1 66.0 M+H C24H36O2 -1.124400128 (+)-Camphor 153.1273041 0.020566667 41065 Lipids and lipid-like molecules Prenol lipids Monoterpenoids Unclassified Unclassified 51.0 57.0 M+H-H2O, M+H C10H16O 0.111108861 N,N-dimethyl-L-Valine 146.1175451 0.704816667 44985 Unclassified Unclassified Unclassified Unclassified Unclassified 51.0 59.5 M+H C7H15NO2 -0.069367534 Salicylaldehyde 123.0442358 1.028333333 66352 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C06202 51.0 59.2 M+H C7H6O2 1.474166638 Lysyl-Leucine 260.1967202 1.070083333 85857 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.0 59.8 M+H C12H25N3O3 -0.570556565 18-Oxocortisol 377.1953922 11.03361667 LMST02030194 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 51.0 65.8 M+H, M+Na C21H28O6 -1.256861941 L-Formylkynurenine 237.0865381 2.0298 HMDB0060485 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C02700 51.0 67.9 M+H C11H12N2O4 -1.885632971 (S)-ATPA 229.1183117 4.359933333 69667 Unclassified Unclassified Unclassified Unclassified Unclassified 51.0 59.1 M+H C10H16N2O4 0.123867496 12-oxo-5E,8E,10Z-dodecatrienoic acid 209.1171753 5.474733333 74733 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 51.0 59.1 M+H-H2O, M+H C12H16O3 -0.20130349 Myristoylglycine 286.2374199 6.061516667 HMDB0013250 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.0 60.3 M+H C16H31NO3 -0.877984841 6-{3,5-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoyl]-6-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 507.1130712 6.061516667 HMDB0128783 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 51.0 60.2 M+H-H2O C23H24O14 -0.4693351 PGD3 351.2159895 7.30255 LMFA03010142 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 C13802 51.0 63.1 M+H-H2O, M+H C20H30O5 -1.37872049 (S)-3'-Hydroxy-4,4'-dimethoxydalbergione 301.1067662 7.31915 LMPK12100075 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 51.0 61.9 M+H C17H16O5 -0.94593935 6-((Z)-pentadec-10-en-1-yl)salicylic acid 347.2576252 8.7792 LMPK15040008 Lipids and lipid-like molecules Polyketides Phenolic lipids Unclassified Unclassified 51.0 61.6 M+H-H2O, M+H C22H34O3 -1.352967297 Glu-Val 247.1287068 0.7879 96281 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.9 59.4 M+H C10H18N2O5 -0.574075346 Spisulosine 286.3101172 10.873 53932 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 50.9 61.6 M+H C18H39NO -1.135950091 Carboxyprimaquine 275.1389159 5.192583333 2082 Unclassified Unclassified Unclassified Unclassified Unclassified 50.9 56.7 M+H, M+NH4 C15H18N2O3 -0.375820525 6-Hydroxyindolelactate 222.0760187 5.223183333 66327 Unclassified Unclassified Unclassified Unclassified Unclassified 50.9 61.5 M+H C11H11NO4 -0.296506823 Suberylglycine 232.1178032 5.3953 5899 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.9 61.8 M+H C10H17NO5 -0.63108328 Naltrexone 359.196318 6.282966667 HMDB0014842 Benzenoids Phenanthrenes and derivatives Unclassified Unclassified C07253 50.9 59.6 M+NH4 C20H23NO4 -0.632335797 Lucidenic acid C 494.3104951 7.535616667 HMDB0037609 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 50.9 60.9 M+NH4 C27H40O7 -1.541315578 (+)-Armillarin 251.1638693 8.672883333 LMPR0103590003 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 50.9 60.0 M+H C15H22O3 -1.206057584 16-Hydroxy hexadecanoic acid 290.2686189 9.301716667 HMDB0006294 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C18218 50.9 60.1 M+NH4 C16H32O3 -1.291189771 4-Coumaroyl-2-hydroxyputrescine 251.1389739 3.033166667 89290 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 50.8 63.6 M+H C13H18N2O3 -0.179648684 5-Methoxytryptophan 217.0970802 4.885333333 HMDB0002339 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Unclassified Unclassified 50.8 56.9 M+H-H2O C12H14N2O3 -0.31563697 4-formyl Indole 146.0600212 5.41175 96392 Unclassified Unclassified Unclassified Unclassified Unclassified 50.8 64.7 M+H-H2O, M+H C9H7NO 0.977352683 2-benzyl-2-hydroxyheptanal 203.1428879 8.15215 HMDB0133169 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 50.8 58.9 M+H-H2O C14H20O2 -0.698252365 2-Hydroxymethylclavam 144.0655132 1.112483333 71631 Unclassified Unclassified Unclassified Unclassified Unclassified 50.7 57.7 M+H C6H9NO3 -0.04460033 (S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside 386.1079139 1.767216667 HMDB0034674 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 50.7 59.8 M+H, M+Na C16H19NO10 -0.670908284 Succinyladenosine 384.1145853 2.748266667 HMDB0000912 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 50.7 60.3 M+H C14H17N5O8 -1.05356144 [3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 335.0216183 5.894166667 HMDB0133344 Phenylpropanoids and polyketides Flavonoids Flavones Unclassified Unclassified 50.7 60.9 M+H, M+Na C15H10O7S -1.142897285 Cholic acid glucuronide 602.352673 7.402283333 LMST05010044 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 50.7 61.9 M+NH4 C30H48O11 -1.394511209 3alpha-Hydroxyoreadone 253.1431406 7.485833333 HMDB0036047 Organoheterocyclic compounds Naphthofurans Unclassified Unclassified Unclassified 50.7 60.6 M+H-H2O, M+H C14H20O4 -0.938225377 Isoleucyl-Threonine 233.149363 1.028333333 85822 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.6 59.6 M+H C10H20N2O4 -0.950088434 N-Seryltyrosine 269.1130349 1.43835 1390 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.6 59.3 M+H C12H16N2O5 -0.608474698 O6-Methyl-2'-deoxyguanosine 282.1195284 1.767216667 66286 Unclassified Unclassified Unclassified Unclassified Unclassified 50.6 68.1 M+H C11H15N5O4 -0.540914325 Isoleucyl-Glutamate 261.1442305 2.454333333 HMDB0028906 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.6 59.1 M+H C11H20N2O5 -1.028814968 (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 231.1127724 5.1774 HMDB0037942 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 50.6 58.3 M+H C13H14N2O2 -0.138048083 Vulgarin 265.14323 5.319616667 HMDB0036130 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 C09600 50.6 65.0 M+H C15H20O4 -0.778366929 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid 405.2632639 7.3852 HMDB0000447 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C15568 50.6 58.5 M+H-H2O, M+H C24H36O5 -0.099802947 Adenine 136.0618041 0.7464 HMDB0000034 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 3 C00147 50.5 58.3 M+H C5H5N5 0.240266285 beta-D-Glucosamine 162.0759981 1.028333333 HMDB0030091 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C08349 50.5 62.1 M+H-H2O C6H13NO5 -0.481279683 Thymine 127.0503304 1.318883333 290 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 2 C00178 50.5 61.0 M+H-H2O, M+H C5H6N2O2 2.131620114 Valyl-Proline 215.1389208 1.334433333 86027 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.5 56.4 M+H C10H18N2O3 -0.458250622 N-Hydroxy-L-tryptophan 221.0919598 1.42375 73314 Unclassified Unclassified Unclassified Unclassified Unclassified 50.5 58.4 M+H-H2O, M+H C11H12N2O3 -0.336928701 12-hydroxy-3Z-dodecenoic acid 232.1905977 5.474733333 LMFA01050170 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 50.5 57.4 M+NH4 C12H22O3 -0.571714274 Isoleucyl-Tryptophan 318.181233 5.877366667 HMDB0028918 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.5 62.9 M+H C17H23N3O3 0.047065257 Marmesin rhamnoside 410.1802543 7.054383333 HMDB0039564 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 50.5 60.2 M+NH4 C20H24O8 -1.756763204 Starch acetate 289.0914379 7.435933333 HMDB0029891 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Unclassified Unclassified 50.5 59.7 M+H-H2O C12H18O9 -1.163108225 Chenodeoxyglycocholic acid 450.3205358 8.549466667 HMDB0006898 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C05462 50.5 62.5 M+H C26H43NO5 -1.923245529 Xestoaminol C 230.2475266 9.22305 53933 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 50.5 57.0 M+H C14H31NO -1.371819425 Glycyl-Histidine 213.0980667 0.607833333 85754 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.4 58.1 M+H C8H12N4O3 -0.707220862 D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose 266.1231827 0.67715 HMDB0038663 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.4 56.1 M+H-H2O, M+H C10H19NO7 0.024576622 Prolylhydroxyproline 229.1181784 0.73255 HMDB0006695 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 50.4 54.6 M+H C10H16N2O4 -0.460496659 Guanine 152.0566421 1.184816667 315 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C00242 50.4 54.5 M+H C5H5N5O -0.292424617 5-Phenyl-1,3-oxazinane-2,4-dione 209.0919949 1.933416667 HMDB0060400 Benzenoids Benzene and substituted derivatives Unclassified 2 C16596 50.4 58.8 M+H, M+NH4 C10H9NO3 -1.526811157 N-Jasmonoylisoleucine 324.2168148 5.894166667 86237 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C18699 50.4 74.2 M+H C18H29NO4 -0.371418632 Spongipregnoloside A 625.3588991 6.582466667 LMST02030217 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 50.4 56.8 M+H C33H52O11 1.057458894 8-methoxy-13-hydroxy-9,11-octadecadienoic acid 344.2790617 7.666516667 LMFA01080002 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 50.4 59.6 M+NH4 C19H34O4 -1.450935922 Ethylhexyl salicylate 251.1638733 8.249916667 HMDB0061839 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 50.4 67.4 M+H C15H22O3 -1.190211918 Alanyl-Tyrosine 253.1180515 1.533116667 85614 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.3 58.8 M+H C12H16N2O4 -0.919840056 6-[1]-ladderane hexanol 278.2476002 10.90575 LMFA01140088 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 50.3 58.5 M+NH4 C18H28O -0.925629665 Valenciachrome 413.3045845 11.00068333 HMDB0036849 Lipids and lipid-like molecules Prenol lipids Sesterterpenoids 1 Unclassified 50.3 61.4 M+H-H2O, M+H C27H40O3 -0.762018805 Phenylalanyl-Arginine 304.1764559 3.814483333 HMDB0028989 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.3 59.7 M+H-H2O C15H23N5O3 -1.075620135 Glycyl-Phenylalanine 223.1075554 3.983116667 85758 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.3 54.8 M+H C11H14N2O3 -0.735307562 3-Hydroxy-4-methoxyphenylacetic acid 165.0547309 4.540083333 3794 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 50.3 55.1 M+H-H2O, M+H C9H10O4 0.606304716 Isoleucyl-Leucine 245.1858644 4.856283333 85817 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.3 54.8 M+H C12H24N2O3 -0.42853912 Dihydroartemisinin (DHA) 267.1588913 6.399633333 HMDB0061088 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 Unclassified 50.3 59.9 M+H-H2O, M+NH4 C15H24O5 -0.683708541 9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic acid 311.2212673 6.663433333 36027 Unclassified Unclassified Unclassified Unclassified Unclassified 50.3 61.8 M+H C18H30O4 -1.349153656 ETHOXYQUIN 218.1537218 8.656916667 44287 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified C07475 50.3 57.1 M+H C14H19NO -1.007985363 7,9-Illudadiene-3,14-diol 235.1690002 9.5153 HMDB0038795 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 50.3 55.0 M+H-H2O, M+H C15H22O2 -0.731028385 Edetic Acid 293.0977273 0.718683333 HMDB0015109 Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Unclassified C00284 50.2 59.3 M+Na, M+K, M+H C10H16N2O8 -1.947101072 (S)-N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine 186.0872862 0.7879 90300 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.2 55.2 M+H, M+NH4 C7H11N3O3 -0.169771103 Kyotorphin 320.171637 1.378866667 HMDB0005768 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C02993 50.2 59.2 M+H-H2O C15H23N5O4 -0.234197594 17-hydroxy-linolenic acid 277.2159477 11.71073333 LMFA02000239 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 50.2 57.2 M+H-H2O C18H30O3 -0.87993329 p-Aminobenzoic acid 138.0549657 2.91515 3261 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C00568 50.2 54.0 M+H C7H7NO2 0.078904449 Isoglobotriaose 520.2247137 3.033166667 HMDB0006598 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 50.2 58.8 M+NH4 C19H34O15 2.225752355 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol 219.1741215 7.352033333 HMDB0036172 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 50.2 52.8 M+H-H2O, M+Na C13H24O -0.375322073 Aspartyl-Proline 231.0974757 1.0006 85675 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.1 54.0 M+H C9H14N2O5 -0.314211431 Isoleucyl-Histidine 269.1606489 1.01445 85815 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.1 56.0 M+H C12H20N4O3 -0.626795388 Lotaustralin 244.1177351 2.0934 HMDB0033865 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C08334 50.1 59.9 M+H-H2O C11H19NO6 -0.819450916 4-Dimethylamino-L-phenylalanine 209.1283445 2.96555 72414 Unclassified Unclassified Unclassified Unclassified Unclassified 50.1 58.5 M+H C11H16N2O2 -0.5271886 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 367.1498158 3.8656 HMDB0012492 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 50.1 56.5 M+H-H2O, M+H C17H22N2O7 -0.739810542 Fusarochromanone 293.1493838 4.8098 89326 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 50.1 56.6 M+H C15H20N2O4 -0.683863053 3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal 234.1486843 5.4597 HMDB0040833 Phenylpropanoids and polyketides Cinnamaldehydes Unclassified Unclassified Unclassified 50.1 56.3 M+NH4 C14H16O2 -0.791241307 Leucyl-Phenylalanine 279.1702519 5.4597 85839 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.1 53.6 M+H, M+NH4 C15H22N2O3 -0.241176156 O-(13-carboxytridecanoyl)carnitine 402.2845373 7.666516667 LMFA07070084 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 50.1 55.4 M+H C21H39NO6 -1.188983725 3alpha,12beta-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 424.3050551 9.7363 LMST04010188 Unclassified Unclassified Unclassified Unclassified Unclassified 50.1 59.6 M+NH4, M+K C24H38O5 -1.710068915 Threoninyl-Methionine 251.1059371 1.2878 HMDB0029067 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.0 56.0 M+H C9H18N2O4S -0.269652641 Vulgarone A 219.1741208 10.25611667 91761 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 50.0 54.6 M+H C15H22O -1.012599307 9,12,15-Octadecatrien-1-ol 265.2522868 12.32238333 LMFA05000216 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 50.0 56.1 M+H-H2O, M+H C18H32O -1.358074489 Salsoline-1-carboxylate 238.1071613 2.142083333 HMDB0013067 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified Unclassified Unclassified 50.0 59.3 M+H C12H15NO4 -0.941141771 Alanyl-Isoleucine 203.1388779 2.224183333 85606 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.0 53.8 M+H C9H18N2O3 -0.697329754 Indole 118.0653737 4.294566667 HMDB0000738 Organoheterocyclic compounds Indoles and derivatives Indoles 3 C00463 50.0 58.2 M+H C8H7N 2.118652183 N-(1-Deoxy-1-fructosyl)tryptophan 363.1549101 5.537433333 HMDB0037847 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Unclassified Unclassified 50.0 56.5 M+H-H2O C18H24N2O7 -0.401934261 INDOLE-3-CARBINOL 148.0755865 6.202516667 44445 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 50.0 60.7 M+H C9H9NO -0.706363962 3,4,5-trihydroxy-6-[1-(4-methoxyphenyl)-3-phenylpropoxy]oxane-2-carboxylic acid 419.1694855 6.772616667 HMDB0135640 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 50.0 57.4 M+H-H2O, M+H C22H26O8 -0.770320806 O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine 456.3314622 9.548733333 LMFA07070086 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 50.0 56.3 M+H C25H45NO6 -1.103355557 (7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid 295.190063 9.750433333 LMFA01050450 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 50.0 57.3 M+H-H2O, M+H, M+Na C17H28O5 -1.033741323 5-Hydroxy-N-formylkynurenine 253.0817656 1.318883333 58207 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C05648 49.9 55.7 M+H C11H12N2O5 -0.525054058 PGE1 alcohol 358.294527 10.79058333 LMFA03010053 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 49.9 58.8 M+NH4 C20H36O4 -1.934281009 ALANYL-dl-LEUCINE 203.1389379 2.70095 44268 Unclassified Unclassified Unclassified Unclassified Unclassified 49.9 60.3 M+H C9H18N2O3 -0.400628066 5-(3',5')-Dihydroxyphenyl-gamma-valerolactone 211.0963864 5.682066667 86074 Benzenoids Phenols Benzenediols Unclassified Unclassified 49.9 57.9 M+H, M+NH4, M+H-H2O C11H14O4 -0.471051376 15-methyl-15S-PGE2 349.237041 6.954833333 36135 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 49.9 57.0 M+H-H2O, M+H C21H34O5 -0.805398219 MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) 377.2686478 7.502433333 62362 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 49.9 60.8 M+H C23H36O4 0.031125455 Choline 104.1073526 0.663316667 56 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts 2 C00114 49.8 58.5 M+H C5H13NO 3.512051895 Glutaminylhydroxyproline 242.1138016 0.718683333 HMDB0028798 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.8 56.7 M+H-H2O C10H17N3O5 1.038747835 Voglibose 250.1284381 0.986166667 HMDB0015598 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 49.8 53.7 M+H-H2O C10H21NO7 -0.283198883 Benzaldehyde 107.0494372 2.0298 58358 Benzenoids Benzene and substituted derivatives Benzoyl derivatives 2 C00261 49.8 56.6 M+H C7H6O 2.790811555 N-Benzoylaspartic acid 220.0604145 4.856283333 HMDB0034251 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.8 53.8 M+H-H2O, M+H, M+Na C11H11NO5 -0.083270251 Naringenin 4'-O-glucuronide 431.0971655 5.348566667 HMDB0041759 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 49.8 52.4 M+H-H2O C21H20O11 -0.240406176 Pseudoionone 193.1587145 5.877366667 88498 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 49.8 56.3 M+H C13H20O 0.118580927 N-lactoyl-Phenylalanine 238.1071881 5.877366667 HMDB0062175 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 49.8 57.0 M+H C12H15NO4 -0.827785164 Sulfoglycolithocholate(2-) 496.2722742 7.2034 HMDB0062801 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 49.8 59.5 M+H-H2O C26H43NO7S -0.898691274 9-tridecynoic acid 228.1955917 9.14445 LMFA01030602 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 49.8 52.6 M+H, M+NH4, M+H-H2O C13H22O2 -1.051037232 Succinylmonocholine 204.1229555 1.272816667 2522 Unclassified Unclassified Unclassified Unclassified Unclassified 49.7 55.9 M+H C9H17NO4 -0.388536522 Glutamyltyrosine 311.1238983 1.700233333 HMDB0028831 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.7 54.8 M+H C14H18N2O6 0.437092787 N-ACETYLPROLINE 158.0811406 2.620233333 43543 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.7 51.4 M+H C7H11NO3 -0.185079591 2-Oxindole-3-acetate 174.0549456 5.41175 HMDB0094657 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 49.7 51.5 M+H-H2O, M+Na C10H9NO3 -0.048512296 ({2-methyl-3-[({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)methyl]oxiran-2-yl}methoxy)sulfonic acid 365.0322874 6.011633333 HMDB0129428 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 49.7 58.3 M+H-H2O C16H14O9S -0.725992867 1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- 209.1170734 6.202516667 2291 Unclassified Unclassified Unclassified Unclassified Unclassified 49.7 60.5 M+H-H2O, M+H C12H16O3 -0.559730688 Benzyl b-L-arabinopyranoside 239.1275275 6.788383333 96293 Unclassified Unclassified Unclassified Unclassified Unclassified 49.7 58.4 M+H-H2O, M+H C13H18O4 -0.637939511 Sodium glycocholate 466.3158302 7.634533333 88551 Unclassified Unclassified Unclassified Unclassified Unclassified 49.7 54.0 M+H C26H43NO6 -1.040971473 (5alpha,10alpha)-3,7(11)-Eudesmadien-2-one 219.1740761 7.843266667 90429 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 49.7 52.9 M+H C15H22O -1.217523491 Cyrneine A 334.2372953 7.957766667 LMPR0104260001 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 49.7 55.4 M+NH4 C20H28O3 -1.185953106 3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid 405.2630435 9.3831 LMST04010274 Unclassified Unclassified Unclassified Unclassified Unclassified 49.7 55.1 M+H-H2O, M+H C24H38O6 -1.201049942 3-hydroxytetradecanoyl carnitine 410.2891466 9.677 HMDB0061640 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 49.7 56.5 M+Na C21H41NO5 3.750271352 Tetrahydropentoxyline 367.1501022 1.817116667 HMDB0029992 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 49.6 54.8 M+H C17H22N2O7 0.340627087 3,4-Dihydro-2H-1-benzopyran-2-one 166.0861967 2.0298 HMDB0036626 Phenylpropanoids and polyketides 3,4-dihydrocoumarins Unclassified 3 C02274 49.6 57.1 M+H-H2O, M+NH4, M+H C9H8O2 0.2186329 L-cis-Cyclo(aspartylphenylalanyl) 263.1025463 4.825566667 87613 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.6 51.6 M+H-H2O, M+H C13H14N2O4 -0.11658474 15-methyl-15R-PGD2 349.2371241 6.29965 36169 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 49.6 57.6 M+H-H2O C21H34O5 -0.578426219 Flavidulol A 276.1956529 6.332866667 HMDB0039152 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 49.6 52.2 M+NH4 C17H22O2 -0.59084705 Phenylalanyl-Isoleucine 261.1593816 6.818416667 HMDB0028998 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.6 61.0 M+H-H2O C15H22N2O3 -1.33982814 6Z-undecenoic acid 185.1534773 8.381133333 34885 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 49.6 55.6 M+H-H2O, M+H C11H20O2 -0.711415961 3-Phenylpropyl formate 165.0909107 8.8123 89957 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 49.6 52.1 M+H C10H12O2 -0.580914836 5beta-Cyprinolsulfate 550.3403262 9.366566667 LMST05020004 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 2 C05468 49.6 62.2 M+NH4 C27H48O8S -0.918318775 Germacrone 219.1741249 10.48696667 71468 Unclassified Unclassified Unclassified Unclassified Unclassified 49.5 52.0 M+H C15H22O -0.994109721 (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid 218.1023284 4.666383333 HMDB0033091 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 49.5 52.3 M+NH4 C9H12O5 0.146818494 Meteloidine 256.1543063 5.569416667 68637 Unclassified Unclassified Unclassified Unclassified Unclassified 49.5 69.3 M+H C13H21NO4 -0.110904187 (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 206.0447182 5.713466667 HMDB0038941 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 49.5 49.6 M+H-H2O C10H9NO5 -0.295688118 Methylphenidate 234.1486425 6.49935 HMDB0014566 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified C07196 49.5 52.0 M+H-H2O, M+H C14H19NO2 -0.6195032 Curdione 219.1740946 8.070066667 HMDB0034714 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C17493 49.5 52.4 M+H-H2O C15H24O2 -1.046435985 Acetylpterosin C 277.1431713 8.8123 HMDB0030764 Benzenoids Indanes Indanones Unclassified Unclassified 49.5 63.4 M+H-H2O, M+H C16H20O4 -1.222005274 2-(5,8-Tetradecadienyl)cyclobutanone 280.2632395 12.81248333 HMDB0037519 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 49.4 54.0 M+H, M+NH4, M+H-H2O C18H30O -1.123740066 Leucyl-Tryptophan 318.1814452 5.553333333 85842 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.4 69.0 M+H C17H23N3O3 0.716206513 6-{3,5-dihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 507.1130812 6.202516667 HMDB0128784 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 49.4 53.6 M+H-H2O C23H24O14 -0.450249733 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)propan-1-one 299.1274766 6.549566667 HMDB0126609 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Unclassified Unclassified 49.4 52.2 M+H-H2O, M+H C18H20O5 -0.977035876 Dodecanedioic acid 231.1588082 8.578083333 5596 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C02678 49.4 54.2 M+H C12H22O4 -1.205305165 Distichonic acid A 295.1132516 0.67715 93404 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.3 52.2 M+H C10H18N2O8 -1.157344094 N-a-Acetyl-L-arginine 217.1294408 0.774083333 HMDB0004620 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.3 52.6 M+H C8H16N4O3 -0.351909659 Cyclohexaneundecanoic acid 286.2737223 10.48696667 HMDB0030997 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C12100 49.3 53.3 M+NH4 C17H32O2 -1.24330699 L-Lysopine 219.1336626 2.0298 89468 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.3 50.8 M+H C9H18N2O4 -1.242113553 2 -(Butylamido)-4-hydroxybutanoic acid 190.1072968 2.387916667 69240 Unclassified Unclassified Unclassified Unclassified Unclassified 49.3 51.7 M+H-H2O, M+H C8H15NO4 -0.509375088 Deca-2,4,6-triynedioic acid 208.060441 5.161166667 LMFA01031138 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 49.3 49.1 M+NH4 C10H6O4 0.035665572 Phenylalanyl-Methionine 319.107551 5.192583333 HMDB0029001 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.3 59.1 M+Na C14H20N2O3S -3.826677856 Octaethylene glycol 388.2539142 5.192583333 HMDB0094680 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 49.3 50.7 M+NH4, M+Na, M+K, M+H C16H34O9 -0.523896409 Moschamindole 333.1231295 5.553333333 HMDB0033431 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Unclassified Unclassified Unclassified 49.3 51.6 M+H-H2O C20H18N2O4 -0.683466861 11-oxo-undeca-5,8-dienoic acid 197.1170984 6.061516667 LMFA01060220 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 49.3 51.4 M+H C11H16O3 -0.624214128 Valerenolic acid 251.1638975 6.1705 91639 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 49.3 58.9 M+H C15H22O3 -1.09327247 alpha-Vetivone 219.1741594 6.416 67918 Unclassified Unclassified Unclassified Unclassified Unclassified 49.3 51.3 M+H C15H22O -0.836004796 7-Tridecynoic acid 211.16908 6.48265 74257 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 49.3 55.7 M+H C13H22O2 -0.839304467 Cysteine-S-sulfate 201.9836984 0.704816667 58010 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05824 49.2 60.0 M+H C3H7NO5S2 -0.708191748 3-Methyluridine 259.0923583 1.070083333 HMDB0004813 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified Unclassified Unclassified 49.2 51.4 M+H C10H14N2O6 -0.40432131 Leucyl-Arginine 288.20273 1.154533333 85827 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.2 54.4 M+H C12H25N5O3 -0.996184416 2-Hydroxy-p-mentha-1,8-dien-6-one 149.0960061 11.10941667 HMDB0037012 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 49.2 48.9 M+H-H2O C10H14O2 -0.51406927 Phenylacetylglutamine 247.1076803 4.7945 HMDB0006344 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C04148 49.2 49.2 M+H-H2O C13H16N2O4 -0.145764284 Retreversine 394.2332813 5.047433333 64635 Unclassified Unclassified Unclassified Unclassified Unclassified 49.2 59.1 M+H C21H27N7O -4.332596902 Jasmolone 181.1222557 5.474733333 HMDB0030039 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 49.2 49.4 M+H-H2O, M+H C11H16O2 -0.248767947 3'-N'-Acetylfusarochromanone 317.1493163 5.9279 HMDB0037499 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 49.2 53.5 M+H-H2O C17H22N2O5 -0.799923733 2-Hydroxyacorenone 237.184686 6.49935 HMDB0030916 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 49.2 52.9 M+H C15H24O2 -0.933232488 (3beta,17alpha,23R)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-ene-15,24-dione 473.3257016 8.006833333 HMDB0035112 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 49.2 57.1 M+H-H2O, M+H C29H44O5 -1.578682267 (20S)-17,20-dihydroxypregn-4-en-3-one 333.2421289 8.053966667 LMST02030183 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 2 C04518 49.2 53.8 M+H-H2O, M+H C21H32O3 -0.908077805 Indole-3-methyl acetate 190.0860708 8.331033333 86457 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 49.2 51.6 M+H C11H11NO2 -0.974593209 (25R)-1beta,3alpha,7alpha-trihydroxy-5beta-cholestan-27-oyl taurine 558.3450477 8.47655 57992 Unclassified Unclassified Unclassified Unclassified Unclassified 49.2 62.3 M+H, M+Na, M+NH4, M+H-H2O C29H51NO7S -1.529942221 Alanyl-Valine 189.1233302 1.098383333 85615 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.1 55.0 M+H C8H16N2O3 -0.205043208 4-methyl-5-carboxyethyl-2-furanacrylic acid 242.1021855 1.46935 LMFA01150052 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 49.1 51.5 M+NH4 C11H12O5 -0.506377951 DIHYDRO TANSHINONE 279.1009294 1.5832 85014 Unclassified Unclassified Unclassified Unclassified Unclassified 49.1 55.8 M+H C18H14O3 -2.306061929 Octadecyl fumarate 386.3259011 11.3459 LMFA07010979 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 49.1 53.8 M+NH4 C22H40O4 -1.586195119 Homoveratric acid 197.0809963 4.604216667 24093 Benzenoids Benzene and substituted derivatives Methoxybenzenes Unclassified Unclassified 49.1 52.9 M+H-H2O, M+H C10H12O4 0.442979085 5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one 325.1757691 5.015383333 HMDB0038582 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 49.1 48.9 M+NH4 C16H21NO5 -0.095249552 3-Methylindole 132.0808139 6.332866667 5453 Organoheterocyclic compounds Indoles and derivatives Indoles 2 C08313 49.1 55.4 M+H C9H9N 0.291080541 Plantagonine 178.0861482 6.332866667 89303 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Unclassified Unclassified 49.1 51.1 M+H C10H11NO2 -0.60331405 Oxidized Latia luciferin 177.1636469 7.120433333 65996 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C03527 49.1 51.7 M+H-H2O, M+H C13H22O -0.670627481 2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE 195.101436 9.793166667 44640 Unclassified Unclassified Unclassified Unclassified Unclassified 49.1 53.5 M+H C11H14O3 -0.694330218 Phenethylamine glucuronide 298.1282974 2.372016667 HMDB0010323 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03033 49.0 50.3 M+H-H2O, M+H C14H19NO6 -0.635951245 Phenylephrine 3-O-sulfate 248.0584988 3.23705 711 Unclassified Unclassified Unclassified Unclassified Unclassified 49.0 51.4 M+H C9H13NO5S -0.895105633 Zeanic acid 206.0446664 4.31095 HMDB0032963 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Unclassified Unclassified 49.0 49.8 M+H C10H7NO4 -0.574273819 Hydroxylated N-acetyl desmethyl frovatriptan 307.1759664 4.9501 HMDB0061151 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 49.0 53.5 M+NH4 C15H19N3O3 -1.731328559 Trandolapril-d5 Diketopiperazine 430.2700307 6.44925 HMDB0061178 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.0 58.9 M+NH4 C24H32N2O4 -0.005598368 Metconazole 320.1521109 6.818416667 72282 Unclassified Unclassified Unclassified Unclassified Unclassified 49.0 73.5 M+H C17H22ClN3O -0.957538765 D-Urobilinogen 591.3171593 6.971566667 HMDB0004158 Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins 2 C05791 49.0 55.2 M+H C33H42N4O6 -0.935538222 5,8,12-trihydroxy-9-octadecenoic acid 331.2473292 7.709683333 35684 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 49.0 51.0 M+H C18H34O5 -1.730219485 N-(1-Deoxy-1-fructosyl)threonine 282.1180633 0.690983333 HMDB0037843 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 48.9 52.9 M+H C10H19NO8 -0.994829346 Homoglutamine 161.0919463 0.704816667 3281 Unclassified Unclassified Unclassified Unclassified Unclassified 48.9 48.8 M+H C6H12N2O3 -0.764528193 2,6-Piperidinedicarboxylic acid 174.0760702 0.774083333 334 Unclassified Unclassified Unclassified Unclassified Unclassified 48.9 49.0 M+H C7H11NO4 -0.081386937 Deoxyadenosine 274.0920428 0.815583333 HMDB0000101 Nucleosides, nucleotides, and analogues Purine nucleosides Purine 2'-deoxyribonucleosides 2 C00559 48.9 54.3 M+Na C10H13N5O3 3.914146561 Pyroglutamylvaline 211.1077195 1.4849 HMDB0094651 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.9 51.7 M+H-H2O C10H16N2O4 0.003080195 N-(5-Methyl-3-oxohexyl)alanine 202.1437318 1.666633333 95923 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.9 48.1 M+H C10H19NO3 -0.189299148 LTB4 dimethyl amide 381.3107814 10.19313333 LMFA03020011 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 48.9 56.1 M+NH4 C22H37NO3 -1.068516393 Isoleucyl-Isoleucine 245.1858951 5.192583333 85816 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.9 47.6 M+H C12H24N2O3 -0.303027365 11-Hydroxy-9-tridecenoic acid 246.2061182 6.582466667 LMFA01050437 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 48.9 49.9 M+NH4 C13H24O3 -1.104347981 12-amino-dodecanoic acid 216.195625 7.485833333 LMFA01100005 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.9 49.3 M+H, M+Na, M+H-H2O C12H25NO2 -0.838751534 Floionolic acid 333.2629937 8.733933333 HMDB0034295 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C19621 48.9 49.6 M+H-H2O, M+H C18H36O5 -1.197679288 gamma-Glutamyl-beta-aminopropiononitrile 182.0924198 0.6217 HMDB0060477 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C06114 48.8 49.7 M+H-H2O C8H13N3O3 0.083945608 trans-4-Hydroxycyclohexylacetic acid 176.1281011 1.0006 HMDB0000909 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 48.8 46.4 M+NH4 C8H14O3 -0.118497222 3-hydroxy-hexadecanoic acid 273.2421211 11.3459 35554 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.8 51.0 M+H C16H32O3 -1.102929541 Methionyl-Proline 247.1111116 2.716533333 HMDB0028981 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.8 48.8 M+H C10H18N2O3S 0.088452122 3,4,5-trihydroxy-6-(2-methoxybenzoyloxy)oxane-2-carboxylic acid 346.1130452 3.0672 HMDB0126553 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 48.8 51.1 M+NH4, M+Na C14H16O9 -0.647541001 Leucyl-Valine 231.1701342 3.270766667 HMDB0028942 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 48.8 47.6 M+H C11H22N2O3 -0.802972244 4,5-Dihydrovomifoliol 209.1535683 5.223183333 HMDB0040615 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 48.8 52.7 M+H-H2O C13H22O3 -0.168273036 Scytalone 195.0651823 5.82695 65532 Unclassified Unclassified Unclassified Unclassified Unclassified 48.8 47.2 M+H-H2O, M+H C10H10O4 -0.304657362 (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide 447.0918703 5.978083333 LMPK12140372 Unclassified Unclassified Unclassified Unclassified Unclassified 48.8 51.1 M+H-H2O C21H20O12 -0.684161695 5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone 313.1066516 6.282966667 HMDB0037253 Phenylpropanoids and polyketides Homoisoflavonoids Homoisoflavans Unclassified Unclassified 48.8 50.4 M+H-H2O, M+H C18H18O6 -1.20695507 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone 238.1434904 7.335566667 HMDB0032589 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 48.8 51.4 M+NH4 C13H16O3 -1.269901514 Threoninyl-Glycine 159.0763626 0.67715 HMDB0029061 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.7 50.6 M+H-H2O, M+H C6H12N2O4 -0.318400188 Asymmetric dimethylarginine 203.1501874 0.67715 HMDB0001539 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C03626 48.7 53.6 M+H C8H18N4O2 -0.320974996 1-hydroxyhexanoylglycine 190.1072623 1.243816667 HMDB0094718 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.7 47.4 M+H C8H15NO4 -0.645652625 N2-Acetyl-L-aminoadipate semialdehyde 188.0916867 1.98175 63444 Unclassified Unclassified Unclassified Unclassified Unclassified 48.7 49.0 M+H C8H13NO4 -0.254374192 Histidinyl-Arginine 334.1602763 1.98175 HMDB0028879 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.7 49.5 M+Na C12H21N7O3 1.504146195 L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid 234.1237341 4.47545 HMDB0035665 Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Unclassified Unclassified 48.7 49.7 M+NH4 C12H12N2O2 0.143367991 1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-cyclopenta[b]pyridin-7-one 180.1019392 4.779683333 HMDB0039655 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified Unclassified 48.7 47.3 M+H C10H13NO2 0.190242747 Polyethylene, oxidized 262.1649735 4.932916667 HMDB0032472 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 1 Unclassified 48.7 50.3 M+NH4 C12H20O5 0.304150581 N-Carboxyacetyl-D-phenylalanine 252.0864899 5.586183333 93703 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.7 50.0 M+H C12H13NO5 -0.633569158 13-Nor-6-eremophilene-8,11-dione 221.1534728 5.793616667 HMDB0037606 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 48.7 48.9 M+H-H2O, M+H C14H20O2 -0.101265098 16,16-dimethyl-6-keto Prostaglandin E1 397.2571464 7.7527 45595 Unclassified Unclassified Unclassified Unclassified Unclassified 48.7 54.6 M+H-H2O, M+H C22H36O6 -0.965493283 Allantoin 159.0511963 0.73255 89 Organoheterocyclic compounds Azoles Imidazoles 1 C01551 48.6 47.6 M+H C4H6N4O3 -0.444085475 13,14-dihydroxy-octadecanoic acid 299.2575802 10.006 LMFA01050552 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.6 54.7 M+H-H2O, M+H, M+Na C18H36O4 -1.553036535 5beta-Chola-3,8(14),11-trien-24-oic Acid 337.2518519 11.1235 LMST04010327 Unclassified Unclassified Unclassified Unclassified Unclassified 48.6 55.6 M+H-H2O C24H34O2 -2.089295913 (E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol 188.1646001 4.587983333 HMDB0035839 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 48.6 45.8 M+NH4 C10H18O2 0.556956207 Ciprofloxacin 332.1405244 5.223183333 1772 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids 2 C05349 48.6 52.6 M+H C17H18FN3O3 0.085455382 2E,4E,8Z,10E-dodecatetraenoic acid 193.1223481 5.288616667 34905 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.6 50.6 M+H C12H16O2 0.218257782 6-Tridecynoic acid 211.1691606 5.776783333 74256 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.6 53.3 M+H C13H22O2 -0.455789259 1-Heptadecanoylglycerophosphoethanolamine 490.29121 6.266266667 HMDB0061691 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 48.6 50.8 M+Na C22H46NO7P 1.711703933 N-palmitoyl serine 344.27909 6.9078 LMFA08020101 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 48.6 49.9 M+H-H2O, M+H C19H37NO4 -1.305368501 5-(12-Nonadecenyl)-1,3-benzenediol 397.3074186 7.103816667 HMDB0039866 Benzenoids Phenols Benzenediols Unclassified Unclassified 48.6 53.0 M+Na C25H42O2 -0.755223259 W123 307.2011993 7.650933333 64710 Unclassified Unclassified Unclassified Unclassified Unclassified 48.6 47.9 M+H, M+Na C17H26N2O3 -1.371094293 Saccharopine 277.1392853 0.663316667 383 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00449 48.5 50.0 M+H C11H20N2O6 -0.46177518 N-Acetylmannosamine 204.0865576 0.718683333 HMDB0001129 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00645 48.5 45.7 M+H-H2O, M+H, M+Na C8H15NO6 -0.413056781 Glutamylalanine 219.0974026 0.73255 58173 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.5 45.9 M+H C8H14N2O5 -0.66649524 Alanyl-Methionine 221.0953319 1.2582 85609 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.5 53.3 M+H C8H16N2O3S -0.490404261 Dendryphiellic acid B 188.1281046 1.54975 LMFA01020399 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.5 51.1 M+NH4 C9H14O3 -0.089335161 gamma-L-Glutamyl-L-cysteinyl-beta-alanine 322.1064755 1.599716667 66204 Unclassified Unclassified Unclassified Unclassified Unclassified 48.5 51.1 M+H C11H19N3O6S -0.80117065 6-Hydroxykynurenic acid 206.0446779 2.7808 67010 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Unclassified C08480 48.5 46.4 M+H C10H7NO4 -0.51838538 Dolichotheline 196.1444664 3.152333333 71289 Unclassified Unclassified Unclassified Unclassified Unclassified 48.5 49.1 M+H C10H17N3O 0.14235428 Blumealactone C 342.1914848 5.569416667 HMDB0035357 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 48.5 48.3 M+NH4 C17H24O6 1.14394754 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one 377.1734425 6.582466667 LMST02020108 Unclassified Unclassified Unclassified Unclassified Unclassified 48.5 51.4 M+K C19H30O5 2.839536213 1b,3a,12a-Trihydroxy-5b-cholanoic acid 409.2945372 9.366566667 5315 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 48.5 48.5 M+H C24H40O5 -0.768041172 Histidinal 122.0714682 0.635583333 HMDB0012234 Organic nitrogen compounds Organonitrogen compounds Amines 2 C01929 48.4 46.2 M+H-H2O C6H9N3O 1.398957556 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 191.179271 10.82331667 97470 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 48.4 46.6 M+H C14H22 -0.821226446 N-(3-hydroxy-heptanoyl)-homoserine lactone 247.1649465 3.69525 LMFA08030034 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 48.4 48.6 M+NH4 C11H19NO4 -1.25301151 3,4-Methylenesebacic acid 244.1542483 5.82695 HMDB0059729 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 48.4 50.1 M+NH4 C12H18O4 -0.381455625 C16 Sphinganine 274.2736784 9.16015 41556 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 48.4 47.3 M+H C16H35NO2 -1.381090145 Homocitrulline 212.1028231 0.704816667 HMDB0000679 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C02427 48.3 50.1 M+H, M+Na, M+H-H2O C7H15N3O3 -0.563604353 Isonicotinic acid 124.039455 0.871966667 849 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C07446 48.3 49.3 M+H C6H5NO2 1.220645597 (4-Methylphenyl)acetaldehyde 135.0804249 10.72515 86393 Benzenoids Benzene and substituted derivatives Phenylacetaldehydes Unclassified Unclassified 48.3 48.3 M+H C9H10O -0.122942469 Tyrosyl-Aspartate 279.0974243 2.191183333 HMDB0029101 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.3 48.5 M+H-H2O C13H16N2O6 -0.417665175 L-Pyridosine 272.1602489 2.4209 HMDB0029443 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 48.3 48.1 M+NH4 C12H18N2O4 -0.919617102 Tyrosyl-Proline 279.1336956 2.8818 86005 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.3 45.4 M+H C14H18N2O4 -0.855373901 Isoleucyl-Arginine 270.1921916 3.593083333 HMDB0028901 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.3 47.9 M+H-H2O C12H25N5O3 -0.904741791 Piperdial 251.1641999 5.272583333 HMDB0035798 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified C09711 48.3 53.0 M+H-H2O, M+H C15H22O3 -0.330068468 1-Hydroxy-10-methylacridone 243.1127055 5.44365 HMDB0032983 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 48.3 43.8 M+NH4 C14H11NO2 -0.43798105 Asiaticoside B 975.5147751 6.332866667 HMDB0029892 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 48.3 47.5 M+H C48H78O20 -1.17615857 Citpressine II 333.1440719 6.515966667 HMDB0029324 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 48.3 48.1 M+NH4 C17H17NO5 -1.352685994 Lucidenic acid M 480.3313538 7.552183333 HMDB0035973 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids 1 C10029 48.3 53.2 M+NH4 C27H42O6 -1.321198427 3beta,9alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 424.3048266 8.91945 LMST04010292 Unclassified Unclassified Unclassified Unclassified Unclassified 48.3 51.5 M+NH4 C24H38O5 -2.272384559 3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol 339.2678561 10.006 70417 Unclassified Unclassified Unclassified Unclassified Unclassified 48.2 47.8 M+H-H2O, M+H C24H34O -1.894240116 Nootkatone 219.1741007 10.83986667 71939 Unclassified Unclassified Unclassified Unclassified Unclassified 48.2 47.3 M+H C15H22O -1.10504357 3-Oxochola-1,4,6-trien-24-oic Acid 351.2312074 7.3852 LMST04010429 Unclassified Unclassified Unclassified Unclassified Unclassified 48.2 50.0 M+H-H2O C24H32O3 -1.76316874 7-hydroxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one 248.1278045 9.692366667 HMDB0131063 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Unclassified Unclassified 48.2 46.6 M+NH4 C14H14O3 -1.370383169 Aspartyl-Arginine 290.1457252 0.663316667 HMDB0028747 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.1 48.0 M+H, M+Na C10H19N5O5 -0.58774983 Alanyltryptophan 258.1234762 1.098383333 HMDB0013209 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.1 53.9 M+H-H2O C14H17N3O3 -0.824869286 Leucyl-Histidine 251.1500257 1.54975 HMDB0028931 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.1 45.7 M+H-H2O C12H20N4O3 -0.844984958 Glutamylmethionine 279.1005833 1.867833333 HMDB0028825 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.1 49.8 M+H C10H18N2O5S -1.207733906 Tyrosyl-Phenylalanine 329.1495443 5.144516667 86004 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.1 43.6 M+H C18H20N2O4 -0.119719934 3,4,5-trihydroxy-6-[4-(3-hydroxybutyl)-2-methoxyphenoxy]oxane-2-carboxylic acid 355.1378913 5.6028 HMDB0135716 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 48.1 49.2 M+H-H2O C17H24O9 -2.291613445 Sinapic acid 207.0651414 5.82695 HMDB0032616 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 3 C00482 48.1 47.2 M+H-H2O, M+H C11H12O5 -0.19583261 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene 177.1636371 7.3852 97469 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 48.1 49.4 M+H C13H20 -0.794325416 Eszopiclone 371.1008277 0.053916667 HMDB0014546 Organoheterocyclic compounds Pyrrolopyrazines Cyclopyrrolones Unclassified Unclassified 48.0 70.9 M+H-H2O, M+H C17H17ClN6O3 -2.448154371 Formimino-L-glutamic acid 175.0712941 0.704816667 335 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00439 48.0 43.8 M+H C6H10N2O4 -0.224986702 6-O-Methylguanine 166.0723634 1.767216667 64619 Unclassified Unclassified Unclassified Unclassified Unclassified 48.0 45.3 M+H C6H7N5O 0.164156791 Methionyl-Hydroxyproline 245.0953196 1.98175 HMDB0028974 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.0 47.4 M+H-H2O C10H18N2O4S -0.458783416 2-Formaminobenzoylacetate 208.0603012 2.8985 63560 Unclassified Unclassified Unclassified Unclassified Unclassified 48.0 43.5 M+H, M+Na, M+H-H2O C10H9NO4 -0.642181158 2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium 326.1708126 4.635566667 HMDB0035173 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.0 48.2 M+NH4 C15H20N2O5 -0.761485969 4-Hydroxy-2-quinolone 162.0549234 4.871 71293 Unclassified Unclassified Unclassified Unclassified Unclassified 48.0 41.6 M+H-H2O, M+H C9H7NO2 0.336983087 Phenylalanylproline 263.1389615 4.966716667 HMDB0011177 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.0 43.2 M+H C14H18N2O3 -0.218930299 Scopolamine 286.1435112 6.2338 HMDB0003573 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives 2 C01851 48.0 50.0 M+H-H2O C17H21NO4 -0.853316404 Azafrin 427.2835007 6.249683333 67076 Unclassified Unclassified Unclassified Unclassified Unclassified 48.0 54.8 M+H-H2O, M+H C27H38O4 -2.830893887 5-Hydroxyindoleacetylglycine 231.076253 6.282966667 HMDB0004185 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05832 48.0 45.7 M+H-H2O C12H12N2O4 -0.667684236 2-Oxo-1,2-dihydroquinoline-4-carboxylate 190.0497339 6.383283333 71292 Unclassified Unclassified Unclassified Unclassified Unclassified 48.0 45.1 M+H C10H7NO3 -0.717541591 7-Aminodesacetoxycephalosporanic acid 215.0484503 1.649716667 85209 Unclassified Unclassified Unclassified Unclassified Unclassified 47.9 45.3 M+H C8H10N2O3S -0.183745071 5S,6S-epoxy-15R-hydroxy-ETE 209.1384022 4.571483333 HMDB0062236 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 47.9 43.4 M+H, M+Na, M+NH4 C9H20O5 0.250131248 N-Acetylserotonin 219.1128838 4.999783333 366 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles 2 C00978 47.9 58.8 M+H C12H14N2O2 0.365326965 Phenacetine 180.1019605 5.047433333 486 Unclassified Unclassified Unclassified Unclassified Unclassified 47.9 42.7 M+H C10H13NO2 0.3093248 5-amino-2,5-dihydroxy-3,4-diphenylpentanoic acid 319.1651699 5.50615 HMDB0134816 Phenylpropanoids and polyketides Stilbenes Unclassified Unclassified Unclassified 47.9 43.0 M+NH4 C17H19NO4 -0.211540179 (E)-2-Butenyl-4-methyl-threonine 188.1280301 5.944716667 69263 Unclassified Unclassified Unclassified Unclassified Unclassified 47.9 43.5 M+H C9H17NO3 -0.479522981 (6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid 239.163885 7.070766667 HMDB0062364 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 47.9 47.9 M+H-H2O, M+H C14H24O4 -1.116535718 6-octenoylglycine 217.1545208 1.2294 HMDB0094805 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.8 43.3 M+NH4 C10H17NO3 -0.743861755 Pregabalin 160.1330945 1.2878 85349 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.8 42.0 M+H C8H17NO2 -0.695585113 7-octenoylglycine 217.1545714 1.750416667 HMDB0094806 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.8 40.9 M+NH4 C10H17NO3 -0.489766028 6-[5]-ladderane-1-hexanol 278.2475906 12.27573333 LMFA05000063 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 47.8 44.3 M+H, M+NH4 C18H28O -1.32707125 2-Phenylaminoadenosine 376.1710795 3.033166667 HMDB0001069 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 47.8 50.0 M+NH4 C16H18N6O4 -4.744274512 Nicotyrine 159.0915817 4.064383333 68165 Unclassified Unclassified Unclassified Unclassified Unclassified 47.8 50.9 M+H C10H10N2 -0.588944375 Malonylcarnitine 248.1139878 4.080516667 6484 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 47.8 56.0 M+H C10H17NO6 4.549240844 Tyrosyl-Serine 286.1398188 4.491716667 HMDB0029114 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.8 45.3 M+NH4 C12H16N2O5 0.267282228 Isoleucyl-Phenylalanine 279.1701122 5.33425 85820 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.8 42.3 M+H C15H22N2O3 -0.743503288 3,4,5-trihydroxy-6-({2-methyl-3-[({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)methyl]oxiran-2-yl}methoxy)oxane-2-carboxylic acid 461.1075992 5.3953 HMDB0129425 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 47.8 42.3 M+H-H2O C22H22O12 -0.499301697 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol 213.184776 5.877366667 HMDB0037907 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 47.8 49.5 M+H C13H24O2 -0.61485829 3-Hydroxy-4-butanolide 247.0809625 6.663433333 HMDB0034681 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 47.8 45.7 M+H-H2O C10H16O8 -1.009887253 Isosyringinoside 552.2290517 6.892733333 HMDB0040814 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 47.8 71.0 M+NH4 C23H34O14 0.693407247 1-Phenylethyl formate 151.0752566 8.119833333 92538 Benzenoids Benzene and substituted derivatives Benzyloxycarbonyls Unclassified Unclassified 47.8 44.0 M+H C9H10O2 -0.662642162 5'-Carboxy-gamma-chromanol 324.2164803 8.168216667 HMDB0012799 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 47.8 44.6 M+NH4 C18H26O4 -1.484517814 N2-(D-1-Carboxyethyl)-L-lysine 219.1337814 0.774083333 63467 Unclassified Unclassified Unclassified Unclassified Unclassified 47.7 44.1 M+H-H2O, M+H C9H18N2O4 -0.309708158 cis-4-Decenedioic acid 218.1385578 1.2294 HMDB0000603 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 47.7 42.2 M+NH4 C10H16O4 -0.633157016 2-Cyclotetradecen-1-one 209.1898048 10.64501667 HMDB0039884 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 47.7 43.1 M+H-H2O, M+H C14H24O -0.717988096 12-Oxo-2,3-dinor-10,15-phytodienoic acid 265.1795295 10.873 HMDB0032090 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 47.7 44.6 M+H C16H24O3 -1.103808925 4-Hydroxyproline galactoside 276.1075306 2.0298 HMDB0029354 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 47.7 45.4 M+H-H2O C11H19NO8 -0.845140142 Blumenol C O-[rhamnosyl-(1->6)-glucoside] 519.2812257 5.650983333 88048 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 47.7 51.2 M+H C25H42O11 2.386955974 1,2,3,4-tetrahydro-2,5,8-trimethyl naphthalene 175.1480934 5.793616667 96269 Unclassified Unclassified Unclassified Unclassified Unclassified 47.7 46.1 M+H C13H18 -0.192866675 D-Lysine 147.1127546 6.399633333 6919 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00739 47.7 43.3 M+H C6H14N2O2 -0.339211863 3alpha,7alpha,12alpha,16alpha-tetrahydroxy-5beta-cholan-24-oic Acid 442.3159371 7.9907 LMST04010448 Unclassified Unclassified Unclassified Unclassified Unclassified 47.7 42.9 M+NH4 C24H40O6 -0.889503569 Crotanecine 172.0967216 3.388766667 68218 Unclassified Unclassified Unclassified Unclassified Unclassified 47.6 41.6 M+H C8H13NO3 -0.573672687 N-Acetylisatin 190.0499271 4.5244 63543 Unclassified Unclassified Unclassified Unclassified Unclassified 47.6 40.5 M+H C10H7NO3 0.304343884 Phensuximide 207.1126763 5.635316667 HMDB0014970 Organoheterocyclic compounds Pyrrolidines Phenylpyrrolidines Unclassified C07437 47.6 43.2 M+NH4 C11H11NO2 -0.675988118 beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone 348.1437816 6.202516667 LMPK12120589 Unclassified Unclassified Unclassified Unclassified Unclassified 47.6 43.4 M+NH4, M+Na, M+K C18H18O6 -1.157862855 Octadeca-9-en-12,14,16-triynoic acid 288.1954664 6.892733333 LMFA01031137 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 47.6 43.7 M+NH4 C18H22O2 -1.255209129 N-Oleoyl phenylalanine 452.3115009 6.92295 HMDB0062336 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.6 53.1 M+Na C27H43NO3 -4.69114439 2-O-Methylcytosine 126.0663159 0.718683333 58237 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 47.5 42.4 M+H C5H7N3O 1.020370443 2,3-Pentanedione 101.0600616 0.73255 87796 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 47.5 43.4 M+H C5H8O2 3.554837862 Isoleucyl-Glutamine 260.1603536 1.056116667 85811 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.5 45.8 M+H C11H21N3O4 -0.497625313 Leu Ala 203.1389309 1.318883333 44685 Unclassified Unclassified Unclassified Unclassified Unclassified 47.5 42.7 M+H C9H18N2O3 -0.435086478 Alanyl-Leucine 203.1390021 1.500583333 HMDB0028691 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 47.5 41.0 M+H C9H18N2O3 -0.082981595 3-Hydroxyanthranilic acid 154.0498569 1.516783333 3275 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C00632 47.5 41.1 M+H C7H7NO3 -0.082330592 12,13-dihydroxy stearic acid 299.2576847 11.16815 LMFA02000146 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 47.5 46.9 M+H-H2O, M+H C18H36O4 -1.222640129 Valyl-Tryptophan 304.1656893 5.1774 HMDB0029138 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.5 56.0 M+H C16H21N3O3 0.40035288 5alpha-Tetrahydrocorticosterone 373.2333581 5.586183333 LMST02030142 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 47.5 53.4 M+Na C21H34O4 -4.488650731 Scilliroside 587.2859622 6.6307 LMST01130007 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified C08880 47.5 42.9 M+H-H2O C32H44O11 1.469815811 N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine 392.3151214 6.987866667 36700 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 47.5 50.3 M+H C24H41NO3 -2.042285063 PIM1(16:0/18:1(9Z)) 999.5983719 7.650933333 LMGP15010007 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositolglycans Unclassified Unclassified 47.5 43.6 M+H C49H91O18P -3.211747665 18-hydroxy-9S,10R-dihydroxy-stearic acid 333.263014 8.103666667 LMFA02000005 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 47.5 43.0 M+H, M+Na, M+NH4, M+H-H2O C18H36O5 -1.615153066 2-Hydroxymuconate semialdehyde 143.0338669 0.00225 65525 Unclassified Unclassified Unclassified Unclassified Unclassified 47.4 42.8 M+H C6H6O4 -0.128158767 (S)-Spinacine 168.0767173 0.607833333 HMDB0029873 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 47.4 40.5 M+H C7H9N3O2 -0.21369916 N6,N6,N6-Trimethyl-L-lysine 189.1596805 0.6217 HMDB0001325 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C03793 47.4 44.4 M+H, M+Na C9H20N2O2 -0.392593182 Prolyl-Threonine 217.1182572 1.0006 85920 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.4 41.2 M+H C9H16N2O4 -0.121529678 Lysyl-Serine 216.1342642 1.5667 HMDB0028960 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.4 42.0 M+H-H2O C9H19N3O4 -0.015877676 Phenylalanyl-Threonine 267.1337616 1.767216667 HMDB0029005 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.4 42.4 M+H C13H18N2O4 -0.64583741 Coprocholic acid 468.3680639 11.26565 HMDB0000601 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 47.4 45.2 M+NH4 C27H46O5 -0.635570006 MG(0:0/18:2(9Z,12Z)/0:0) 355.2831207 13.07288333 HMDB0011538 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 3 Unclassified 47.4 45.3 M+H-H2O, M+H C21H38O4 -1.118291721 Palmitic amide 256.2631551 13.30505 HMDB0012273 Lipids and lipid-like molecules Fatty Acyls Fatty amides 3 Unclassified 47.4 43.4 M+H C16H33NO -1.316522411 Isodecenoic acid 188.1645087 4.779683333 LMFA01030032 Benzenoids Phenols Methoxyphenols 2 C06866 47.4 39.3 M+NH4 C10H18O2 0.019609427 Dinor-PGD2 363.1578975 6.0775 LMFA03010214 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 47.4 48.4 M+K C18H28O5 3.286474629 15-methyl-15S-PGD2 349.2370353 6.663433333 36121 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 47.4 50.5 M+H-H2O C21H34O5 -0.820984941 Serinyl-Proline 203.1025964 0.774083333 85940 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.3 41.6 M+H C8H14N2O4 -0.182696812 Methylisopelletierine 173.1648263 1.884433333 HMDB0030326 Organoheterocyclic compounds Piperidines Unclassified Unclassified C06184 47.3 46.4 M+NH4 C9H17NO -0.086549718 Hydroxyprolyl-Leucine 227.1390945 4.55555 HMDB0028867 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.3 44.9 M+H-H2O C11H20N2O4 0.309735749 4-methyl-dodecanedioic acid 227.1640262 5.76095 74904 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 47.3 39.0 M+H-H2O, M+H C13H24O4 -0.593103268 1-Octen-3-yl glucoside 273.1687312 5.994866667 HMDB0032959 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 47.3 46.2 M+H-H2O, M+Na, M+H C14H26O6 -3.167583498 Yucalexin P15 369.147406 7.352033333 HMDB0036753 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 47.3 45.0 M+K C20H26O4 3.448563616 Hydrocortisone caproate 478.3156783 8.0225 LMST02030129 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C13422 47.3 46.6 M+NH4 C27H40O6 -1.382293194 N,N-dimethyl-Safingol 330.3361718 10.83986667 53956 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 47.2 42.2 M+H C20H43NO2 -1.470571668 Myristoleic acid 209.1897852 12.43043333 LMFA01030051 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C08322 47.2 40.5 M+H-H2O C14H26O2 -0.913430325 N-Acetylvanilalanine 271.1286123 3.66125 HMDB0011716 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.2 42.7 M+NH4 C12H15NO5 -0.93186375 gamma-Glutamylmethionine 261.0903408 4.393 HMDB0034367 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.2 44.3 M+H-H2O C10H18N2O5S -0.048993306 4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one 211.1077883 4.55555 HMDB0060389 Benzenoids Benzene and substituted derivatives Unclassified 2 C16595 47.2 43.1 M+NH4 C10H11NO3 0.360046288 5'-Hydroxy-3'-methoxysativan 333.1329987 5.348566667 HMDB0039571 Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Unclassified Unclassified 47.2 40.5 M+H, M+NH4, M+H-H2O C18H20O6 -0.801115966 Oxymorphone 319.1649053 6.465933333 HMDB0015323 Benzenoids Phenanthrenes and derivatives Unclassified Unclassified C08019 47.2 56.6 M+NH4 C17H19NO4 -1.09039042 Lanceotoxin A 621.2910143 6.61485 67237 Unclassified Unclassified Unclassified Unclassified Unclassified 47.2 43.5 M+H C32H44O12 0.743261757 Methionyl-Aspartate 265.0852073 1.616233333 85871 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.1 51.1 M+H C9H16N2O5S -0.233724474 5-Butyltetrahydro-2-oxo-3-furancarboxylic acid 204.1230237 1.900533333 HMDB0030992 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 47.1 38.2 M+NH4 C9H14O4 -0.057878987 (+)-Muscarine 174.1487906 2.848133333 64739 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C07473 47.1 40.2 M+H C9H19NO2 -0.373705582 gamma-Glutaminyl-4-hydroxybenzene 239.1025998 5.144516667 86278 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.1 57.8 M+H C11H14N2O4 -0.141114654 Leucyl-Glutamate 243.1338895 5.1774 HMDB0028928 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.1 42.8 M+H-H2O C11H20N2O5 -0.168976891 3,4-Methyleneazelaic acid 230.1387078 5.223183333 HMDB0059744 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 47.1 40.8 M+NH4 C11H16O4 0.109531836 3-Methyleneoxindole 146.0599976 5.697833333 65836 Unclassified Unclassified Unclassified Unclassified Unclassified 47.1 45.7 M+H-H2O, M+H C9H7NO 0.663275376 14-hydroxy-5Z-tetradecenoic acid 260.2217849 6.218066667 LMFA01050181 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 47.1 40.9 M+NH4 C14H26O3 -0.971837919 Sarmentosin 293.1340589 0.663316667 HMDB0030697 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 C08340 47.0 41.9 M+NH4 C11H17NO7 -0.976196315 Prolyl-Asparagine 212.1028158 1.01445 HMDB0029012 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.0 38.7 M+H-H2O C9H15N3O4 -0.662962415 2-Phenylethanol 105.0702254 3.016183333 64740 Benzenoids Benzene and substituted derivatives Unclassified 2 C05853 47.0 41.2 M+H-H2O C8H10O 2.856639296 5-Hydroxy-3,4-dihydrocarbostyryl 164.0703346 5.619533333 1550 Unclassified Unclassified Unclassified Unclassified Unclassified 47.0 46.6 M+H C9H9NO2 -1.658092737 Sarcodon scabrosus Depsipeptide 503.3081526 5.877366667 HMDB0041421 Organic acids and derivatives Peptidomimetics Depsipeptides Unclassified Unclassified 47.0 39.6 M+NH4 C23H39N3O8 1.260743463 3-dehydroecdysone 480.3314255 7.781466667 LMST01010172 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified C02513 47.0 43.0 M+NH4 C27H42O6 -1.166098411 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid 347.2423636 7.8755 LMFA02000107 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 47.0 41.2 M+H, M+NH4, M+Na, M+H-H2O C18H34O6 -1.304409231 Glutaminylglutamic acid 258.108824 0.67715 HMDB0028796 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.9 41.9 M+H-H2O, M+Na C10H17N3O6 1.370368923 Tiglylglycine 175.1076588 0.718683333 HMDB0000959 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.9 42.3 M+H-H2O, M+NH4 C7H11NO3 -0.301735975 Mycinonic acid I 176.1280383 0.7879 LMFA01020402 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.9 38.8 M+NH4 C8H14O3 -0.516041495 alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol 213.1344439 1.363833333 HMDB0062443 Organoheterocyclic compounds Pyridines and derivatives Unclassified 2 C19581 46.9 45.5 M+NH4 C9H13N3O2 -0.811507549 N-Malonylanthranilate 224.0552332 1.867833333 65916 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C03147 46.9 37.3 M+H, M+K, M+Na, M+H-H2O C10H9NO5 -0.51826439 (4E,8E,10E-d18:3)sphingosine 334.2138419 11.00068333 LMSP01080013 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 46.9 55.0 M+K C18H33NO2 -1.508824197 Imatinib 511.2913309 4.619866667 HMDB0014757 Benzenoids Benzene and substituted derivatives Anilides Unclassified Unclassified 46.9 48.0 M+NH4 C29H31N7O -3.047583295 Heptaethylene glycol 344.227747 5.031616667 HMDB0061835 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 46.9 38.5 M+NH4, M+Na, M+K, M+H C14H30O8 -0.448998354 Heliannuol B 266.1749152 5.894166667 HMDB0035132 Organoheterocyclic compounds Benzoxepines Unclassified Unclassified Unclassified 46.9 42.5 M+NH4 C15H20O3 -0.624106165 Quinolacetic acid 186.0760317 0.73255 HMDB0240257 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 46.8 38.4 M+NH4 C8H8O4 -0.312859134 (3R,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane 190.1436546 1.140533333 LMPK09000005 Unclassified Unclassified Unclassified Unclassified Unclassified 46.8 38.0 M+NH4 C9H16O3 -0.669706481 Leucyl-Leucine 245.1859623 5.063266667 HMDB0028933 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C11332 46.8 36.6 M+H C12H24N2O3 -0.027766836 Phenylalanyl-Hydroxyproline 261.1231699 6.34955 HMDB0028996 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.8 41.3 M+H-H2O C14H18N2O4 -0.715273384 Yucalexin P17 336.2527678 6.772616667 HMDB0036752 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 46.8 47.1 M+NH4 C20H30O3 -1.736265076 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide 257.1128907 1.243816667 62397 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C15497 46.7 42.9 M+H C11H16N2O5 -1.199953571 7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one 161.1323296 10.006 HMDB0036681 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 46.7 38.4 M+H-H2O C12H18O -0.82691667 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 226.1072194 3.0672 HMDB0041692 Benzenoids Phenols Benzenediols Unclassified Unclassified 46.7 38.3 M+NH4 C11H12O4 -0.79300662 Threoninyl-Lysine 230.1498222 3.304183333 HMDB0029066 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.7 41.0 M+H-H2O C10H21N3O4 -0.387079543 Arginyl-Valine 312.1438858 3.983116667 HMDB0028722 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.7 38.4 M+K C11H23N5O3 2.33596101 3-Methyl-5-pentyl-2-furanpropanoic acid 225.1484202 5.2563 HMDB0112084 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 46.7 35.1 M+H-H2O, M+H C13H20O3 -0.048392678 5-Methoxy-DL-tryptophan 235.1075657 5.745083333 103475 Unclassified Unclassified Unclassified Unclassified Unclassified 46.7 38.4 M+H, M+Na C12H14N2O3 -0.653859094 3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid 251.1275576 6.202516667 HMDB0135907 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 46.7 42.9 M+H-H2O, M+H C14H18O4 -0.781617778 Procurcumadiol 233.1534102 6.366616667 HMDB0034721 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 46.7 43.9 M+H-H2O C15H22O3 -0.783963838 delta10-12-PhytoF 367.2095813 6.878166667 LMFA02040002 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 46.7 42.0 M+H, M+Na C18H32O6 -1.316434881 Serratamic acid 258.169851 7.2199 LMFA00000002 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified Unclassified 46.7 42.9 M+H-H2O C13H25NO5 -0.485591126 N-trans-Feruloyloctopamine 347.1597058 7.552183333 HMDB0032805 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 46.7 40.9 M+NH4 C18H19NO5 -1.344275255 4-Guanidinobutanoic acid 146.0923565 0.7879 4155 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01035 46.6 37.4 M+H-H2O, M+H C5H11N3O2 0.8953399 2-(2,6-dihydroxy-3,4-dimethoxycyclohexylidene)acetonitrile 196.0967535 1.112483333 HMDB0125517 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 46.6 35.9 M+H-H2O C10H15NO4 -0.310524891 n-butyrl n-valeric acid 190.1437247 1.5832 LMFA01060025 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.6 38.7 M+NH4 C9H16O3 -0.262632923 Thymidine 243.0974266 1.933416667 3375 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides 2 C00214 46.6 37.2 M+H, M+Na, M+H-H2O C10H14N2O5 -0.501560856 L-Glutamic acid n-butyl ester 204.1229137 2.289266667 3544 Unclassified Unclassified Unclassified Unclassified Unclassified 46.6 35.6 M+H C9H17NO4 -0.594733002 6-{[3-(2,4-dihydroxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 376.1236281 2.73235 HMDB0126433 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 46.6 37.9 M+NH4, M+Na, M+K, M+H C15H18O10 -0.54235471 5-O-Methylleridol 346.1646903 4.278366667 LMPK12140200 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 46.6 38.6 M+NH4 C19H20O5 -0.636821462 Ustiloxin D 495.2451853 5.1277 HMDB0041054 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.6 42.5 M+H C23H34N4O8 0.495216381 Ipriflavone 298.1435963 6.0283 HMDB0032987 Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Unclassified Unclassified 46.6 50.9 M+NH4 C18H16O3 -0.619601285 Kuhlmanniquinol 334.1645979 6.044966667 LMPK12100071 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 46.6 39.2 M+H-H2O, M+H, M+Na, M+NH4 C18H20O5 -0.81988186 11-Dehydro-thromboxane B2 391.209188 7.0212 LMFA03030014 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05964 46.6 40.4 M+Na C20H32O6 0.213454801 (5Z)-13-carboxytridec-5-enoylcarnitine 400.2689607 7.368583333 LMFA07070018 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 46.6 39.7 M+H C21H37NO6 -1.011031966 Alanyl-Proline 187.1077505 1.0006 85610 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.5 38.7 M+H, M+Na, M+NH4, M+H-H2O C8H14N2O3 0.170744699 3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid 482.3470577 10.43841667 LMST04030128 Unclassified Unclassified Unclassified Unclassified Unclassified 46.5 45.7 M+NH4 C27H44O6 -1.19951319 Pyrraline 272.1601877 1.998066667 HMDB0033143 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.5 42.9 M+NH4 C12H18N2O4 -1.160341848 Bestatin (hydrochloride) 309.1806025 4.666383333 63060 Unclassified Unclassified Unclassified Unclassified Unclassified 46.5 35.7 M+H C16H24N2O4 -0.91241616 3'-Deaminofusarochromanone 295.1651944 4.76395 HMDB0041328 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 46.5 34.7 M+NH4 C15H19NO4 -0.1414148 5,7,9,11,13-tetradecapentaenoic acid 236.1644643 5.079183333 LMFA01030258 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.5 38.9 M+NH4 C14H18O2 -0.188342239 Epidihydrophaseic acid 283.1538105 5.7291 HMDB0038661 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 46.5 43.6 M+H-H2O, M+H C15H22O5 -0.675661621 Osthenol 248.1278891 7.170083333 HMDB0034130 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Unclassified C18080 46.5 38.3 M+NH4 C14H14O3 -1.002666118 Isovalerylalanine 174.1125906 1.0006 5715 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.4 40.4 M+H C8H15NO3 0.697716777 N-(3S-hydroxy-butanoyl)-homoserine lactone 188.0917488 1.0006 LMFA08030005 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified C11842 46.4 37.3 M+H-H2O, M+H C8H13NO4 -0.243110869 8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol 539.2081139 1.750416667 47470 Unclassified Unclassified Unclassified Unclassified Unclassified 46.4 54.4 M+H C33H30O7 3.129329587 7beta,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-oic acid 466.3523478 10.98478333 LMST04030049 Unclassified Unclassified Unclassified Unclassified Unclassified 46.4 37.7 M+NH4, M+Na, M+K C27H44O5 -0.785588244 Val-Val-Val 316.2228658 4.856283333 HMDB0094676 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.4 39.6 M+H C15H29N3O4 -0.688554476 2-(2-Furanyl)-3-piperidinol 185.1285597 4.999783333 HMDB0039837 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 46.4 38.4 M+NH4 C9H13NO2 0.631503563 Phenylalanylphenylalanine 313.1546364 5.6028 HMDB0013302 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 46.4 36.1 M+H C18H20N2O3 -0.104319431 Botrydial 328.2115517 6.218066667 LMPR0103640001 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 46.4 41.6 M+NH4 C17H26O5 -0.959977254 Volicitin 461.239179 6.249683333 LMFA08020212 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 46.4 44.1 M+K C23H38N2O5 -4.858040233 4,8 dimethylnonanoyl carnitine 330.2633892 6.64695 58362 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 46.4 46.6 M+H-H2O, M+H C18H35NO4 -1.392028033 2,3-dinor Thromboxane B1 345.226732 8.44615 44923 Unclassified Unclassified Unclassified Unclassified Unclassified 46.4 52.4 M+H C18H32O6 -1.25848258 N-lactoyl-Methionine 222.0795666 1.4849 HMDB0062182 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.3 39.5 M+H C8H15NO4S 0.502970189 (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 394.1274089 1.632833333 HMDB0039424 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.3 44.3 M+H C14H23N3O8S -1.152827316 2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid 484.3627505 10.37563333 LMST04030042 Unclassified Unclassified Unclassified Unclassified Unclassified 46.3 42.4 M+NH4 C27H46O6 -1.102778168 18-oxo-Resolvin E1 331.189896 10.72515 LMFA03140012 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 46.3 53.5 M+H-H2O C20H28O5 -1.406500543 Isotridecenoic acid 195.1742319 11.87928333 LMFA01030045 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.3 35.8 M+H-H2O C13H24O2 -0.517602376 Hydroxyamobarbital 243.1337654 2.94865 497 Unclassified Unclassified Unclassified Unclassified Unclassified 46.3 35.0 M+H C11H18N2O4 -0.694276545 (1R,2R,3S,1'R)-Nepetalinic acid 218.1389885 4.47545 HMDB0034971 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 46.3 38.0 M+NH4 C10H16O4 1.519081752 [6]-Gingerdiol 3,5-diacetate 381.227009 4.7945 HMDB0040568 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 46.3 38.2 M+H C21H32O6 -0.41072149 Dimethirimol 210.1601712 4.983366667 72554 Unclassified Unclassified Unclassified Unclassified Unclassified 46.3 39.4 M+H C11H19N3O 0.39459782 Biochanin A 7-(6-malonylglucoside) 533.1287639 5.745083333 HMDB0030640 Organoheterocyclic compounds Benzofurans Dibenzofurans Unclassified C12625 46.3 36.3 M+H, M+Na C25H24O13 -0.382146858 Tumonoic Acid E 326.2321117 7.709683333 65435 Unclassified Unclassified Unclassified Unclassified Unclassified 46.3 43.5 M+H-H2O, M+H C18H31NO4 -1.511678536 Isoleucyl-Hydroxyproline 262.1759687 1.666633333 HMDB0028908 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.2 37.5 M+NH4 C11H20N2O4 -0.671478477 Allyl acetic acid 101.0601108 1.750416667 34698 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 46.2 38.5 M+H C5H8O2 4.046888359 1,4-Ipomeadiol 188.1280851 1.750416667 HMDB0030471 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 46.2 36.1 M+NH4 C9H14O3 -0.204324658 3-Hydroxylidocaine glucuronide 427.2079351 4.6987 998 Unclassified Unclassified Unclassified Unclassified Unclassified 46.2 44.1 M+H C20H30N2O8 1.038709735 1-(2-Furanyl)-2-propanone 107.0495334 4.966716667 HMDB0032917 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 46.2 41.0 M+H-H2O C7H8O2 3.161404735 Myristic acid 246.2424547 7.666516667 LMFA01010014 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C06424 46.2 35.9 M+NH4 C14H28O2 -1.318998665 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2-carboximidic acid 347.1597575 7.924783333 HMDB0137042 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 46.2 37.7 M+NH4 C18H19NO5 -1.187287463 12,13,15-trihydroxy-9E-octadecenoic acid 348.2739764 8.249916667 LMFA01050555 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.2 40.7 M+NH4, M+Na C18H34O5 -1.433249077 L-prolyl-L-proline 213.1232693 1.0006 62027 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.1 35.1 M+H-H2O, M+H C10H16N2O3 0.522402934 Vinylacetylglycine 144.0655464 1.516783333 5851 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.1 34.7 M+H, M+NH4 C6H9NO3 0.187569446 MIDODRINE 255.1336773 3.23705 44344 Benzenoids Benzene and substituted derivatives Methoxybenzenes Unclassified C07890 46.1 37.5 M+H C12H18N2O4 -1.008329318 Malvidin 332.0893154 4.5244 LMPK12010004 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Unclassified C08716 46.1 39.3 M+H C17H15O7+ 0.78881416 Leucyl-leucyl-norleucine 358.2695853 5.84335 68993 Unclassified Unclassified Unclassified Unclassified Unclassified 46.1 38.7 M+H C18H35N3O4 -1.253314674 Nordalbergin 255.0649899 5.894166667 48370 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 46.1 36.3 M+H C15H10O4 -0.768937584 Ceratiolin 285.1119452 5.910883333 LMPK12120596 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 46.1 33.4 M+H-H2O, M+H C17H18O5 -0.629578224 delta14-9-PhytoF 367.2098713 6.49935 LMFA02040003 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 46.1 39.7 M+H-H2O, M+Na C18H32O6 -1.012454203 Pravastatin 442.2793631 8.136066667 LMFA05000695 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives 2 C01844 46.1 36.6 M+NH4 C23H36O7 -1.333856733 2R-aminohexadecanoic acid 272.258081 9.449533333 LMFA01100016 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.1 37.9 M+H-H2O, M+H C16H33NO2 -1.219282239 Galactosyl 4-hydroxyproline 294.1180923 1.140533333 HMDB0029353 Alkaloids and derivatives Rhoeadine alkaloids Unclassified Unclassified Unclassified 46.0 34.7 M+H, M+Na, M+K, M+H-H2O C11H19NO8 -0.855314859 Carvyl propionate 209.1534183 10.79058333 92819 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 46.0 34.6 M+H C13H20O2 -0.903318387 11-deoxy-11-methylene-PGD2 333.2420252 11.00068333 LMFA03010103 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 46.0 38.0 M+H-H2O C21H34O4 -1.131080469 Janthitrem G 630.3820421 4.540083333 87044 Organic acids and derivatives Peptidomimetics Depsipeptides Unclassified Unclassified 46.0 48.2 M+H C39H51NO6 4.968964935 8-nonenoylglycine 231.1702131 5.41175 HMDB0094813 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.0 33.1 M+NH4 C11H19NO3 -0.49667249 4-Hepteneoylglycine 186.1124458 5.586183333 HMDB0094730 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.0 39.6 M+H C9H15NO3 -0.129276515 N-Undecanoylglycine 244.1904542 8.03795 HMDB0013286 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.0 35.0 M+H, M+Na, M+H-H2O C13H25NO3 -1.093581045 3-Pyridylacetic acid 138.0549236 0.73255 HMDB0001538 Organoheterocyclic compounds Pyridines and derivatives Unclassified Unclassified Unclassified 45.9 32.5 M+H C7H7NO2 -0.228351838 Oxypurinol 153.0406159 0.886016667 866 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified C07599 45.9 35.7 M+H C5H4N4O2 -0.565409007 apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)] 174.1236662 1.112483333 HMDB0059607 Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids Unclassified Unclassified 45.9 32.9 M+H C7H15N3O2 -0.213260442 Ribothymidine 259.0924173 1.4849 85160 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified Unclassified Unclassified 45.9 33.6 M+H C10H14N2O6 -0.175607811 Indoleacetaldehyde 160.0756862 1.516783333 6068 Organoheterocyclic compounds Indoles and derivatives Indoles 2 C00637 45.9 37.8 M+H, M+NH4 C10H9NO -0.026022952 2-Hydroxymyristoylcarnitine 370.2948075 10.16061667 LMFA07070033 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 45.9 37.6 M+H-H2O C21H41NO5 -0.975162149 24-northornasterol A 436.3416722 10.56758333 LMST01010320 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 45.9 35.0 M+NH4 C26H42O4 -1.10728387 alpha-kamlolenic acid 277.2159425 11.1524 LMFA02000156 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 45.9 38.5 M+H-H2O C18H30O3 -0.897631425 6E-nonenoic acid 174.1487507 2.272716667 LMFA01030446 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 45.9 32.5 M+NH4 C9H16O2 -0.669681784 {[(3E)-4-phenylbut-3-en-2-yl]oxy}sulfonic acid 246.0793547 4.31095 HMDB0133731 Benzenoids Benzene and substituted derivatives Styrenes Unclassified Unclassified 45.9 34.2 M+NH4 C10H12O4S -0.441679017 Dihydroxymelphalan 269.1494667 4.459283333 1126 Unclassified Unclassified Unclassified Unclassified Unclassified 45.9 32.4 M+H, M+NH4 C13H20N2O4 -0.435892229 Neocasomorphin (1-5) 642.2515699 4.459283333 HMDB0060144 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.9 35.5 M+K C29H41N5O9 -3.341878718 Propoxycaine 295.2016473 4.6987 43316 Unclassified Unclassified Unclassified Unclassified Unclassified 45.9 38.1 M+H, M+K C16H26N2O3 0.095683811 Histidylproline diketopiperazine 249.1345105 5.82695 HMDB0002053 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.9 31.7 M+H C12H16N4O2 -0.369683709 Ritodrine 305.1857561 5.8605 HMDB0015005 Benzenoids Benzene and substituted derivatives Phenethylamines Unclassified C07239 45.9 43.1 M+NH4 C17H21NO3 -0.741602725 Quercetin 3-(4''-malonylrhamnoside) 535.108024 6.011633333 LMPK12112255 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 45.9 38.2 M+H C24H22O14 -0.389078673 Diacetolol 309.1804423 6.61485 775 Unclassified Unclassified Unclassified Unclassified Unclassified 45.9 46.3 M+H C16H24N2O4 -1.432232733 ent-Corey PG-Lactone Diol 269.174422 6.679716667 64780 Unclassified Unclassified Unclassified Unclassified Unclassified 45.9 52.7 M+H C15H24O4 -1.169814885 Gossyvertin 275.1274716 8.331033333 94215 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 45.9 35.9 M+H C16H18O4 -1.144908735 Droxidopa 231.0973854 0.7879 HMDB0015627 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.8 31.8 M+H, M+NH4 C9H11NO5 -0.368117716 Isoleucyl-Alanine 203.1390053 1.0006 85806 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.8 36.2 M+H-H2O, M+H C9H18N2O3 -0.087858534 (23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione 473.3258078 10.09818333 HMDB0035843 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 45.8 39.9 M+H-H2O, M+H C29H44O5 -1.118397873 3-Hydroxymugineic acid 354.1512314 3.338 HMDB0033927 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.8 32.7 M+NH4 C12H20N2O9 1.563825735 (2S,2'S)-Pyrosaccharopine 241.1182928 4.6987 HMDB0038676 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.8 32.3 M+H-H2O C11H18N2O5 0.036327724 Prolyl-Tryptophan 302.1500515 4.999783333 85921 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.8 32.1 M+H C16H19N3O3 0.443738228 N-(3-oxo-heptanoyl)-homoserine lactone 245.1493894 5.33425 LMFA08030033 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 45.8 34.6 M+H, M+NH4 C11H17NO4 -0.158063803 5-Methoxytryptophol 174.0913183 7.170083333 HMDB0001896 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 45.8 30.4 M+H-H2O C11H13NO2 -0.115756144 3-Oxo-4,6-choladienoic acid 388.2837418 8.7792 HMDB0000476 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 45.8 41.4 M+NH4 C24H34O3 -2.373074039 3-Amino-2-piperidone 132.1131878 0.67715 HMDB0000323 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.7 37.5 M+H, M+NH4 C5H10N2O 1.812096776 N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid 298.1759533 1.01445 HMDB0139612 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 45.7 35.9 M+NH4 C14H20N2O4 -0.640298262 L-Agaridoxin 237.0865925 1.2878 HMDB0029445 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.7 38.0 M+H-H2O C11H14N2O5 -1.538071895 L-Dopa 215.1025438 1.94945 42 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00355 45.7 31.1 M+H, M+NH4 C9H11NO4 -0.337444371 1-(O-alpha-D-glucopyranosyl)-3-keto-(1,27R,29R)-triacontanetriol 647.5085398 10.6921 46596 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 45.7 35.1 M+H C36H70O9 -1.114362968 cyclic N-Acetylserotonin glucuronide 410.1558299 4.50795 HMDB0060812 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 45.7 34.6 M+NH4 C18H20N2O8 0.098789555 Ectocarpen 149.1325116 5.50615 71487 Unclassified Unclassified Unclassified Unclassified Unclassified 45.7 32.6 M+H C11H16 0.234136449 12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one 219.1377822 6.218066667 LMFA07040039 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 45.7 34.0 M+H-H2O C14H20O3 -0.736956066 3-Hydroxydodecanedioic acid 229.1432786 6.2338 HMDB0000413 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 45.7 33.7 M+H-H2O, M+H C12H22O5 -0.637831592 delta14-10-PhytoF 362.2532296 6.249683333 LMFA02040004 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 45.7 34.7 M+NH4 C18H32O6 -1.408161591 Prostaglandin D2-1-glyceryl ester 444.2950861 8.549466667 HMDB0013653 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 45.7 38.4 M+NH4 C23H38O7 -1.156479107 Arginyl-Histidine 334.1604912 1.733633333 HMDB0028711 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.6 36.5 M+Na C12H21N7O3 2.194721243 3,12-Dioxo-5beta-chol-8(14)-en-24-oic Acid 369.2421021 11.23268333 LMST04010382 Unclassified Unclassified Unclassified Unclassified Unclassified 45.6 34.7 M+H-H2O C24H34O4 -0.826405599 N-Methyl-2-pyrrolidinone 100.0760856 2.224183333 68859 Organoheterocyclic compounds Pyrrolidines Pyrrolidones Unclassified C11118 45.6 37.4 M+H, M+Na C5H9NO 3.989507798 N5-(4-Methoxybenzyl)glutamine 267.1337413 4.129766667 89401 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.6 32.0 M+H C13H18N2O4 -0.722070371 7-oxo-11E,13-Tetradecadienoic acid 256.1906962 4.9501 LMFA01060185 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 45.6 31.6 M+NH4, M+K C14H22O3 -0.100320975 15R-hydroxy-12S,14R-dioxolane-5Z,8Z,10E-eicosatrienoic acid 391.1864733 5.272583333 LMFA03150002 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 45.6 43.3 M+K C20H32O5 -4.709893355 Leucyl-Isoleucine 245.1858164 5.810533333 85836 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.6 31.6 M+H C12H24N2O3 -0.625123398 Isoeugenitin 203.0700664 7.2034 HMDB0029473 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 45.6 32.4 M+H-H2O, M+H C12H12O4 -0.927913147 Creatinine 114.0664346 0.67715 8 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00791 45.5 34.6 M+H C4H7N3O 2.178343306 a-L-Arabinofuranosyl-(1->3)-b-D-xylopyranosyl-(1->4)-D-xylose 432.1713532 0.690983333 HMDB0038865 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 45.5 33.2 M+NH4 C15H26O13 0.450897281 Aspartyl-Glutamine 262.1031862 0.76025 HMDB0028751 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.5 49.2 M+H C9H15N3O6 -0.671767261 Proline betaine 144.1019255 1.0006 7089 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C10172 45.5 32.2 M+H-H2O, M+H C7H13NO2 1.006318746 Butyl 2-aminobenzoate 194.1175249 1.303766667 HMDB0036906 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 45.5 29.4 M+H C11H15NO2 -0.156919999 (9Z)-3-hydroxydodecenoylcarnitine 375.2862414 10.39106667 LMFA07070024 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 45.5 30.9 M+H, M+NH4 C19H35NO5 -0.053855675 Vaccenic acid ethanolamide 343.3313872 12.02326667 LMFA08040059 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 45.5 36.3 M+NH4 C20H39NO2 -1.59198234 Tyrosyl-Asparagine 278.1137522 4.932916667 HMDB0029100 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.5 40.4 M+H-H2O C13H17N3O5 0.744596543 Amobarbital 209.1284228 5.192583333 HMDB0015440 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07536 45.5 32.7 M+H-H2O, M+H C11H18N2O3 -0.138905794 Cyclohexyl 2-aminobenzoate 202.1225291 5.745083333 HMDB0037695 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 45.5 31.2 M+H-H2O C13H17NO2 -0.508400079 Cilazapril 435.2601035 5.894166667 HMDB0015433 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.5 50.7 M+NH4 C22H31N3O5 -0.223188842 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide 187.1076752 0.7879 HMDB0039948 Organoheterocyclic compounds Pyrrolidines N-alkylpyrrolidines Unclassified Unclassified 45.4 31.7 M+H-H2O C8H16N2O4 -0.213562182 9,14-dihydroxy-octadecanoic acid 299.2576376 10.37563333 LMFA02000176 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 45.4 33.1 M+H, M+Na, M+H-H2O C18H36O4 -1.516941968 2-Phenylacetamide 118.0653348 4.064383333 HMDB0010715 Benzenoids Benzene and substituted derivatives Phenylacetamides 2 C02505 45.4 34.1 M+H-H2O, M+Na C8H9NO 1.548437746 Salicylamide 138.0550402 4.666383333 43329 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Unclassified Unclassified 45.4 29.8 M+H C7H7NO2 0.622764965 Phenylalanyl-Tyrosine 346.1763077 5.079183333 HMDB0029007 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.4 32.8 M+NH4 C18H20N2O4 0.533384525 3,17-dihydroxy-5,9-dioxo-4,5-9,10-diseco-androsta-1(10),2-dien-4-oic acid 368.2071925 5.776783333 LMST02020117 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 45.4 39.1 M+NH4 C19H26O6 1.223417667 5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one 177.1637318 5.877366667 HMDB0038216 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 45.4 33.7 M+H-H2O, M+H C13H22O -0.233100271 PIM1(18:1(9Z)/16:0) 999.599002 8.891216667 LMGP15010021 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositolglycans Unclassified Unclassified 45.4 38.0 M+H, M+K, M+Na C49H91O18P -2.58077721 Noralfentanil 294.217353 1.1264 HMDB0061010 Benzenoids Benzene and substituted derivatives Anilides Unclassified Unclassified 45.3 31.4 M+H, M+NH4 C16H24N2O2 -0.975618395 (1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol 204.1593076 2.142083333 HMDB0038978 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 45.3 33.7 M+H, M+K, M+NH4 C10H18O3 -0.628519496 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one 240.1230297 4.50795 HMDB0041379 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 45.3 29.1 M+NH4 C12H14O4 -0.021215886 Dioscorine 222.1488505 4.666383333 68148 Organoheterocyclic compounds Azaspirodecane derivatives Unclassified Unclassified C10142 45.3 30.8 M+H C13H19NO2 -0.02167035 Ozagrel 229.097176 5.0956 63059 Unclassified Unclassified Unclassified Unclassified Unclassified 45.3 29.1 M+H C13H12N2O2 0.096164896 3-hydroxy-cis-5-octenoylcarnitine 302.1962774 5.272583333 LMFA07070038 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 45.3 31.2 M+H C15H27NO5 0.258810165 Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one 280.0814203 5.619533333 HMDB0037297 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Unclassified Unclassified 45.3 36.4 M+H-H2O C13H15NO7 -0.482142946 Germacrone-13-al 250.1799697 5.650983333 HMDB0036881 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 45.3 33.7 M+NH4 C15H20O2 -0.799890129 COTARNINE 218.0809155 6.154283333 43778 Unclassified Unclassified Unclassified Unclassified Unclassified 45.3 34.1 M+H C12H11NO3 -1.1707788159999999 2-Methylacetophenone 440.266789 6.49935 LMFA07010721 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 45.3 37.4 M+NH4 C20H38O7S -2.039473274 2Z-Dodecenedioic acid 229.1431913 7.666516667 74918 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 45.3 33.6 M+H, M+NH4 C12H20O4 -1.07083284 (R)-lipoic acid 224.077607 1.500583333 HMDB0001451 Organoheterocyclic compounds Dithiolanes Lipoic acids and derivatives 2 C16241 45.2 38.9 M+NH4 C8H14O2S2 1.260819869 2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine 338.1345253 4.40975 HMDB0059617 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.2 33.4 M+K C13H23N4O4+ -1.881829757 Zolmitriptan 288.1709975 5.144516667 HMDB0014460 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Unclassified C07218 45.2 36.8 M+H C16H21N3O2 1.198468569 Nuttalline 265.1908791 5.793616667 68569 Unclassified Unclassified Unclassified Unclassified Unclassified 45.2 33.1 M+H C15H24N2O2 -0.663664626 4-Methyl-5-thiazoleethanol 144.0477755 0.635583333 1873 Organoheterocyclic compounds Azoles Thiazoles 2 C04294 45.1 50.2 M+H-H2O, M+H C6H9NOS 0.870129591 Arginyl-Leucine 288.202792 0.76025 85628 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.1 35.2 M+H C12H25N5O3 -0.780235721 4-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,2,3,5-tetrol 279.1588271 12.11975 HMDB0133084 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 45.1 32.9 M+H C16H22O4 -0.92955472 Merodesmosine 385.244581 4.635566667 HMDB0030407 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.1 35.0 M+H-H2O C18H34N4O6 0.0856872 Ceanothine C 493.2806532 5.3049 HMDB0029340 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.1 31.6 M+Na C26H38N4O4 4.522308627 LysoPA(a-25:0/0:0) 537.389309 7.054383333 HMDB0114762 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 45.1 32.9 M+H C28H57O7P -4.023636391 Prostaglandin G2 2-glyceryl Ester 460.2900586 7.368583333 HMDB0062591 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 45.1 38.0 M+NH4 C23H38O8 -0.983820598 1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid 425.2894284 7.924783333 5296 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 45.1 40.8 M+H C24H40O6 -0.79431161 (Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one 234.1121789 8.15215 HMDB0032656 Phenylpropanoids and polyketides Coumarins and derivatives Unclassified Unclassified Unclassified 45.1 29.6 M+NH4 C13H12O3 -1.346256188 (E)-8-Tetradecenyl formate 258.2424643 9.64625 LMFA07010550 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 45.1 32.0 M+NH4 C15H28O2 -1.212821446 10-oxo-nonadecanoic acid 351.228934 10.22548333 LMFA01060128 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 45.0 32.8 M+K C19H36O3 -2.142689421 N-Acetyl-L-methionine 192.0688398 3.37185 HMDB0011745 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C02712 45.0 32.1 M+H-H2O, M+H C7H13NO3S -2.37696888 Tryptophyl-Arginine 361.1969657 4.587983333 HMDB0029077 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.0 39.9 M+H C17H24N6O3 -3.607504137 Hexaethylene glycol 300.2014151 4.825566667 HMDB0061822 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 45.0 29.7 M+NH4, M+K, M+Na, M+H C12H26O7 -0.934043431 Petasinine 257.1856791 5.810533333 HMDB0030516 Organoheterocyclic compounds Pyrrolizidines Unclassified Unclassified Unclassified 45.0 31.4 M+NH4 C13H21NO3 -1.212410725 PE(13:0/0:0) 434.2287374 7.037866667 LMGP02050007 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 45.0 30.4 M+Na C18H38NO7P 2.255519662 3-(4-hydroxy-3-methoxyphenyl)-N-(4-oxobutyl)prop-2-enimidic acid 281.1493038 2.487916667 HMDB0139920 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 44.9 29.1 M+NH4 C14H17NO4 -1.063290361 3-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]propanimidic acid 382.1607776 4.650983333 HMDB0135481 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 44.9 39.3 M+Na C20H25NO5 -4.777472814 LysoPE(0:0/18:3(9Z,12Z,15Z)) 458.264516 5.144516667 HMDB0011479 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 44.9 39.9 M+H-H2O C23H42NO7P -4.387111701 {[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}sulfonic acid 306.1367544 5.586183333 HMDB0132970 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 44.9 36.1 M+NH4 C13H20O5S -0.749160585 (9R,12R,15R)-d10-13-PhytoF[13R,16S] 362.2531441 6.011633333 LMFA02040006 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 44.9 31.9 M+NH4 C18H32O6 -1.656348581 L-Citronellol glucoside 319.2110688 6.742183333 HMDB0029850 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 44.9 32.8 M+H, M+Na, M+H-H2O C16H30O6 -1.402446497 (12S,15S)-15-O-Demethyl-10,29-dideoxy-11,12-dihydro-striatin C 417.2626654 7.767266667 HMDB0033030 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 44.9 59.9 M+H-H2O, M+Na C25H38O6 -2.038582313 7-Methylguanine 166.072382 1.0006 58012 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified C02242 44.8 31.4 M+H C6H7N5O 0.276825277 Dihomomethionine 178.0895056 1.154533333 64496 Unclassified Unclassified Unclassified Unclassified Unclassified 44.8 34.5 M+H C7H15NO2S -0.680789139 Hexadecanedioic acid mono-L-carnitine ester 412.3052744 10.14498333 HMDB0000712 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 44.8 41.0 M+H-H2O C23H43NO6 -1.107406675 Phytuberin 295.190096 10.95276667 HMDB0035754 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09709 44.8 30.7 M+H-H2O, M+H C17H26O4 -0.814534035 6-Maleimidocaproic acid 229.1181404 2.716533333 24061 Unclassified Unclassified Unclassified Unclassified Unclassified 44.8 26.8 M+H, M+NH4 C10H13NO4 -0.661134578 Dihydrodeoxy-8-epiaustdiol 240.1229621 5.223183333 HMDB0031668 Organoheterocyclic compounds Azaphilones Unclassified Unclassified Unclassified 44.8 32.9 M+NH4 C12H14O4 -0.325901938 N-Lauroylglycine 258.2062112 5.3049 HMDB0013272 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.8 27.8 M+H-H2O, M+H C14H27NO3 -0.918241503 Butalbital 225.1232021 5.553333333 HMDB0014386 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 44.8 30.5 M+H C11H16N2O3 -0.743710788 N-(6-aminohexanoyl)-6-aminohexanoic acid 245.1858386 5.553333333 LMFA00000009 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified C01255 44.8 30.8 M+H C12H24N2O3 -0.534303441 (3Z)-3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one 226.1072368 5.745083333 HMDB0133456 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 44.8 28.7 M+NH4 C11H12O4 -0.709231153 3alpha,12alpha,16alpha-Trihydroxy-5beta-cholan-24-oic Acid 409.2943423 8.549466667 LMST04010111 Unclassified Unclassified Unclassified Unclassified Unclassified 44.8 38.3 M+H C24H40O5 -1.245595147 N-docosahexaenoyl GABA 414.2995271 9.928083333 LMFA08020105 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.8 31.8 M+H C26H39NO3 -1.798886352 3-Hydroxymandelic acid 186.0760946 1.453516667 HMDB0000750 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Unclassified Unclassified 44.7 26.5 M+NH4 C8H8O4 0.0615076 Pyridoxamine 169.0971243 1.599716667 238 Organoheterocyclic compounds Pyridines and derivatives Pyridoxamines 2 C00534 44.7 28.0 M+H C8H12N2O2 -0.176905588 1-(2-methoxy-nonadecanyl)-sn-glycero-3-phosphoserine 556.3629108 10.37563333 LMGP03060018 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 44.7 32.5 M+H, M+NH4, M+Na, M+H-H2O C26H54NO9P 3.629089063 2-Butyl-1H-benzimidazole 175.1228533 15.30655 HMDB0033755 Organoheterocyclic compounds Benzimidazoles Unclassified 1 Unclassified 44.7 27.4 M+H C11H14N2 -0.698085518 Propyl cinnamate 208.1330956 2.53705 HMDB0037700 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Unclassified C06360 44.7 26.7 M+NH4 C12H14O2 -0.576854113 Gerrardine 326.0375895 4.55555 68153 Unclassified Unclassified Unclassified Unclassified Unclassified 44.7 44.4 M+H C11H19NO2S4 1.385096696 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)pentan-3-yl]oxy}oxane-2-carboxylic acid 393.1517142 5.0956 HMDB0133009 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 44.7 32.7 M+Na C18H26O8 -0.741023162 Phenethyl rutinoside 431.1922986 5.650983333 88572 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 44.7 32.9 M+H C20H30O10 2.615069828 N-docosahexaenoyl histidine 488.286847 6.34955 LMFA08020134 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 44.7 34.3 M+Na C28H39N3O3 -3.257672981 Indole-3-ethanol 162.0912264 6.48265 6932 Organoheterocyclic compounds Indoles and derivatives Indoles 2 C00955 44.7 28.1 M+H-H2O, M+H C10H11NO -0.068986279 S-(2-Hydroxyethyl)-N-acetyl-L-cysteine 208.0638314 0.84375 70379 Unclassified Unclassified Unclassified Unclassified Unclassified 44.6 30.3 M+H C7H13NO4S 0.125845418 Lysyl-Hydroxyproline 260.1602963 1.900533333 HMDB0028952 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.6 31.7 M+H C11H21N3O4 -0.719001071 3,4,5-trihydroxy-6-{[(2E)-2-methyl-3-phenylprop-2-enoyl]oxy}oxane-2-carboxylic acid 356.133761 3.593083333 HMDB0133621 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Unclassified Unclassified 44.6 28.4 M+NH4 C16H18O8 -0.686278894 6-Methylquinoline 144.0808435 4.635566667 89006 Organoheterocyclic compounds Quinolines and derivatives Unclassified Unclassified Unclassified 44.6 32.1 M+H, M+NH4 C10H9N 0.473854512 Butoctamide hydrogen succinate 316.2119293 5.44365 69512 Unclassified Unclassified Unclassified Unclassified Unclassified 44.6 29.1 M+H C16H29NO5 0.253333264 16-epi-16-J1-PhytoP 309.2058095 5.76095 LMFA02030068 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 44.6 29.1 M+H, M+K, M+H-H2O C18H28O4 -0.734164714 Hydroxyprolyl-Gamma-glutamate 260.1240921 1.0006 85783 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.5 28.9 M+H C10H17N3O5 -0.01924579 Phenylpropionylglycine 225.1232831 1.5667 HMDB0000860 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.5 28.4 M+NH4 C11H13NO3 -0.413899161 3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic Acid 413.2656758 10.14498333 LMST04010220 Unclassified Unclassified Unclassified Unclassified Unclassified 44.5 28.4 M+Na, M+K C24H38O4 -1.420984767 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone 347.1125244 5.474733333 LMPK12140601 Unclassified Unclassified Unclassified Unclassified Unclassified 44.5 32.3 M+H, M+NH4 C18H18O7 -0.014187063 4-hydroxy Nonenal Mercapturic Acid 320.1525927 5.586183333 44812 Unclassified Unclassified Unclassified Unclassified Unclassified 44.5 26.9 M+H C14H25NO5S -0.086706897 N-Nonanoylglycine 198.1487362 6.566216667 HMDB0013279 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.5 27.9 M+H-H2O, M+H C11H21NO3 -0.553528632 2-methyl-dodecanedioic acid 245.1744806 10.50295 LMFA01170010 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 44.4 28.4 M+H C13H24O4 -1.044664286 3-Hydroxyindolin-2-one 150.0550861 2.764633333 64535 Unclassified Unclassified Unclassified Unclassified Unclassified 44.4 28.1 M+H C8H7NO2 0.88025696 3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-oic acid 471.3065746 7.7527 LMST04030064 Unclassified Unclassified Unclassified Unclassified Unclassified 44.4 35.0 M+Na C27H44O5 -3.391718343 (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol 359.2576746 8.795416667 57899 Lipids and lipid-like molecules Sterol Lipids Secosteroids Unclassified Unclassified 44.4 34.8 M+H-H2O, M+H C23H34O3 -1.257599193 9-hexadecen-1-ol 258.2788538 10.28776667 LMFA05000030 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 44.3 26.2 M+NH4 C16H32O -1.196228947 Glutaminyllysine 257.1604859 2.764633333 HMDB0028802 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.3 36.5 M+H-H2O C11H22N4O4 -1.207629549 PIP(16:1(9Z)/18:1(11Z)) 915.50327 5.2563 61323 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates 1 C00626 44.3 38.6 M+H C43H80O16P2 4.192269656 Salicin 287.1137639 5.474733333 HMDB0003546 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01451 44.3 30.4 M+H C13H18O7 4.314895039 N-oleoyl tyrosine 468.3065655 6.154283333 LMFA08020099 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.3 33.3 M+Na C27H43NO4 -4.185888268 Diplosporin 225.1119135 6.1705 87137 Organoheterocyclic compounds Pyrans Pyranones and derivatives Unclassified Unclassified 44.3 27.7 M+H-H2O, M+H C12H16O4 -0.617602763 Juniperic acid 290.2686025 7.79655 LMFA01050051 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 44.3 28.2 M+NH4 C16H32O3 -1.351445881 Sorbitan oleate 451.3048131 9.548733333 LMFA07011018 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 44.3 31.5 M+Na C24H44O6 4.210204911 DL-Acetylcarnitine 204.1230316 1.0006 LMFA07070060 Lipids and lipid-like molecules Fatty Acyls Fatty esters 2 C02571 44.2 24.4 M+H C9H17NO4 -0.014320627 Harzianopyridone 282.1333262 6.695866667 68155 Unclassified Unclassified Unclassified Unclassified Unclassified 44.2 27.3 M+H C14H19NO5 -0.970816478 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid 442.3157892 7.186683333 HMDB0000311 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 44.2 27.4 M+NH4 C24H40O6 -1.238262511 7-Aminomethyl-7-carbaguanine 180.0879497 1.394083333 HMDB0011690 Organoheterocyclic compounds Pyrrolopyrimidines Pyrrolo[2,3-d]pyrimidines 2 C16675 44.1 28.2 M+H C7H9N5O -0.204832687 Homoarecoline 187.1441059 1.453516667 HMDB0038321 Alkaloids and derivatives Unclassified Unclassified Unclassified Unclassified 44.1 29.4 M+NH4 C9H15NO2 0.009787205 Alvimopan 442.2687283 5.319616667 HMDB0015631 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 44.1 29.8 M+NH4 C25H32N2O4 -3.075531913 Acetyl-D-carnitine 204.1230237 5.619533333 LMFA07070049 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 44.1 34.3 M+H C9H17NO4 -0.053024675 Indole-3-acetaldoxime N-oxide 191.0814449 5.776783333 71605 Unclassified Unclassified Unclassified Unclassified Unclassified 44.1 34.3 M+H, M+Na C10H10N2O2 -0.311167873 8-undecynoic acid 200.1643457 7.269383333 LMFA01030616 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 44.1 23.7 M+H, M+NH4, M+H-H2O C11H18O2 -0.471059633 gamma-Eudesmol rhamnoside 386.2896109 7.519116667 HMDB0037961 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 44.1 29.6 M+NH4 C21H36O5 -1.327451013 Venoterpine 167.1178213 1.184816667 HMDB0030175 Organoheterocyclic compounds Pyridines and derivatives Unclassified Unclassified Unclassified 44.0 22.8 M+NH4 C9H11NO -0.457599655 Isobutyl N-methylanthranilate 208.1330881 1.94945 HMDB0037697 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 44.0 23.9 M+H, M+Na C12H17NO2 -0.565432735 4-Methyl-1-phenyl-2-pentanol 196.1697071 4.4433 HMDB0031568 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 44.0 24.6 M+NH4 C12H18O 0.653106654 (R)-Bitalin A 236.1279082 7.0212 HMDB0040358 Benzenoids Benzene and substituted derivatives Acetophenones Unclassified Unclassified 44.0 26.7 M+NH4 C13H14O3 -0.970277691 LysoPC(20:2(11Z,14Z)) 565.3952324 7.13705 HMDB0010392 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 2 C04230 44.0 27.0 M+NH4 C28H54NO7P -4.353288747 (4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one 348.2528978 8.103666667 HMDB0034632 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 44.0 25.9 M+NH4 C21H30O3 -1.27975652 1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1,4-pentanedione 237.1596439 4.359933333 HMDB0040006 Organoheterocyclic compounds Pyrrolizines Unclassified Unclassified Unclassified 43.9 23.1 M+NH4 C13H17NO2 -0.503811013 Secobarbital 239.1388897 5.144516667 43331 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 43.9 29.8 M+H C12H18N2O3 -0.542452314 Isoquinoline 130.0651814 6.416 HMDB0034244 Organoheterocyclic compounds Isoquinolines and derivatives Unclassified 3 C06323 43.9 23.7 M+H C9H7N 0.432251433 Sativic acid 349.2579515 6.59905 35482 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 43.9 26.8 M+H-H2O, M+H C18H36O6 -1.259900023 O-(17-carboxyheptadecanoyl)carnitine 458.3471167 8.006833333 LMFA07070085 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 43.9 25.0 M+H C25H47NO6 -1.088796064 Sphingofungin F 384.2738869 8.861016667 LMSP01080066 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 43.9 26.7 M+H-H2O C21H39NO6 -1.402649169 L-Asparagine 133.0602147 0.663316667 14 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00152 43.8 27.7 M+H, M+Na C4H8N2O3 -4.194175101 BOX A 196.1080375 0.663316667 HMDB0004146 Organoheterocyclic compounds Pyrrolines Unclassified Unclassified Unclassified 43.8 25.6 M+NH4 C9H10N2O2 -0.087532023 Prolyl-Valine 215.1389682 1.750416667 HMDB0029030 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.8 22.3 M+H C10H18N2O3 -0.236727474 4-Ethyl-2-methyl-5-propyloxazole 136.1120265 15.55763333 HMDB0037873 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 43.8 20.5 M+H-H2O C9H15NO -0.322509264 Ascorbalamic acid 281.0990281 4.096833333 HMDB0029944 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.8 27.2 M+NH4 C9H13NO8 4.128824196 Citrusin E 390.1772153 4.40975 HMDB0039234 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 43.8 28.0 M+NH4 C17H24O9 3.647727033 Cerulenin 241.1546365 4.966716667 LMFA08010013 Organoheterocyclic compounds Epoxides Oxirane carboxylic acids and derivatives Unclassified C12058 43.8 24.7 M+NH4 C12H17NO3 -0.145181147 3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanimidic acid 238.1073693 5.063266667 HMDB0139939 Benzenoids Phenols Benzenediols Unclassified Unclassified 43.8 26.6 M+H-H2O, M+H C12H15NO4 0.169662515 Indole-3-carboxylic acid 162.054879 5.33425 HMDB0003320 Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives 3 C19837 43.8 19.7 M+H-H2O, M+H C9H7NO2 -0.001270923 7,8-Dehydro-3,4-dihydro-beta-ionol 177.1637268 5.635316667 HMDB0036184 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 43.8 25.1 M+H-H2O C13H22O -0.258725948 2-Dimethylamino-5,6-dimethylpyrimidin-4-ol 168.1130783 0.774083333 68685 Unclassified Unclassified Unclassified Unclassified Unclassified 43.7 22.3 M+H C8H13N3O -0.359948846 11-nitro-1-undecene 217.1909268 1.4849 HMDB0062669 Organic 1,3-dipolar compounds Allyl-type 1,3-dipolar organic compounds Organic nitro compounds Unclassified Unclassified 43.7 24.4 M+NH4 C11H21NO2 -0.640988735 Humulol 223.2054028 12.99678333 HMDB0038213 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 43.7 22.2 M+H C15H26O -1.07621555 3-amino-2-naphthoic acid 205.0970679 4.064383333 34509 Unclassified Unclassified Unclassified Unclassified Unclassified 43.7 30.9 M+H, M+NH4, M+H-H2O C11H9NO2 -0.417385695 Heptanoylcarnitine 274.2012863 4.491716667 LMFA07070068 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 43.7 28.1 M+H, M+K C14H27NO4 0.005657927 Dobutamine 324.1555173 4.540083333 HMDB0014979 Benzenoids Phenols Benzenediols Unclassified C06967 43.7 36.0 M+Na C18H23NO3 -4.970437269 Leu-Leu-Leu 340.259142 6.107866667 HMDB0094648 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.7 31.6 M+H-H2O C18H35N3O4 -0.913504782 Pokeberrygenin 555.3093877 8.7792 HMDB0034653 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 43.7 31.9 M+K C31H48O6 2.208534465 6-(3-ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 314.1233686 0.774083333 HMDB0124987 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 43.6 21.1 M+NH4 C14H16O7 -0.201996181 Pilocarpine 209.1283058 1.243816667 HMDB0015217 Alkaloids and derivatives Unclassified Unclassified Unclassified C07474 43.6 22.6 M+H C11H16N2O2 -0.713164304 Aloesol 252.1228738 1.4849 HMDB0035712 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 43.6 26.2 M+NH4 C13H14O4 -0.686454989 PGF2alpha alcohol 358.2941935 10.36001667 LMFA03010113 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 43.6 29.7 M+NH4 C20H36O4 -2.914385273 2,2,6,6-Tetramethyl-4-piperidinone 173.1648031 2.999233333 HMDB0031179 Organoheterocyclic compounds Piperidines Piperidinones Unclassified Unclassified 43.6 25.1 M+NH4 C9H17NO -0.235742911 3-[(3-Methylbutyl)nitrosoamino]-2-butanone 187.1440546 3.5249 HMDB0033553 Organic nitrogen compounds Organonitrogen compounds Organic nitroso compounds Unclassified Unclassified 43.6 22.4 M+H C9H18N2O2 -0.266790495 Leucyl-Glutamine 260.1602816 3.5249 85831 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.6 25.7 M+H C11H21N3O4 -0.775639708 Loxoprofen 264.1592897 4.393 HMDB0041920 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 43.6 23.4 M+NH4 C15H18O3 -0.529110906 15-octadecene-9,11,13-triynoic acid 248.1643417 5.2563 LMFA01030559 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 43.6 23.7 M+NH4 C15H18O2 -0.71091469 CL(8:0/8:0/8:0/13:0) 1013.511268 5.4597 HMDB0116802 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphoglycerols 1 Unclassified 43.6 22.3 M+K C46H88O17P2 -1.606004179 Felbamate monocarboxylate 210.0760247 5.635316667 2658 Unclassified Unclassified Unclassified Unclassified Unclassified 43.6 24.0 M+H C10H11NO4 -0.284882591 4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan 392.1842188 6.1705 LMPK12020228 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 43.6 29.4 M+H, M+NH4 C24H22O4 -1.955131488 N-heptanoyl-homoserine lactone 214.1435353 6.938916667 36736 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified C11844 43.6 26.3 M+H C11H19NO3 -1.100615879 C19 Sphingosine-1-phosphate 416.2538974 7.585266667 LMSP01050004 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 43.6 21.9 M+Na C19H40NO5P 0.678076927 Sodium taurocholate 538.2811245 7.7527 89529 Unclassified Unclassified Unclassified Unclassified Unclassified 43.6 28.0 M+H-H2O, M+H C26H44NNaO7S -0.260586275 Methylimidazole acetaldehyde 142.09752 1.070083333 HMDB0004181 Organoheterocyclic compounds Azoles Imidazoles 2 C05827 43.5 24.2 M+NH4 C6H8N2O 0.254491213 Lentialexin 138.0913632 1.43835 LMFA05000672 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 43.5 23.9 M+H-H2O, M+NH4 C8H8O 3.064038633 Glycerophospho-N-Palmitoyl Ethanolamine 454.2923582 10.58235 45334 Unclassified Unclassified Unclassified Unclassified Unclassified 43.5 23.3 M+H C21H44NO7P -1.009477533 2-Hepteneoylglycine 203.1391159 4.571483333 HMDB0094728 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.5 22.2 M+NH4 C9H15NO3 0.523981804 PC(O-14:0/0:0) 471.3540316 5.161166667 LMGP01060007 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 43.5 24.2 M+NH4 C22H48NO6P -3.791514448 5-Phenyl-1-pentanol 147.1167222 5.50615 HMDB0031624 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 43.5 23.1 M+H-H2O, M+H C11H16O -0.637704105 Sorbitan laurate 347.2423924 6.549566667 86564 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 43.5 27.8 M+H-H2O, M+H C18H34O6 -1.110401897 4-methyl-tridecanedioic acid 259.1900936 9.895616667 74908 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.5 24.2 M+H-H2O, M+H C14H26O4 -1.237234315 5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid 372.2379247 4.76395 LMFA01040028 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.4 20.5 M+NH4 C19H30O6 -0.393810352 PC(0:0/14:0) 468.3067743 5.910883333 40339 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 43.4 24.7 M+H C22H46NO7P -3.61999689 9-hydroxy pelargonic acid 192.1594315 0.7879 LMFA01050028 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.3 18.6 M+NH4 C9H18O3 0.066443768 methyl (2E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoate 226.1072521 1.112483333 HMDB0131169 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 43.3 19.0 M+NH4 C11H12O4 -0.635658427 Histidinyl-Isoleucine 251.1500511 3.0672 HMDB0028888 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.3 20.2 M+H-H2O C12H20N4O3 -0.750170517 Furanogermenone 250.17999 5.877366667 HMDB0036766 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C17488 43.3 24.6 M+NH4 C15H20O2 -0.712383528 alpha-Hydrojuglone 4-O-b-D-glucoside 339.1072517 6.266266667 89797 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 43.3 25.1 M+H C16H18O8 -0.56865531 Medicagenic acid 3-O-b-D-glucuronide 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester 1106.536105 7.502433333 HMDB0039292 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 43.3 25.4 M+NH4, M+Na, M+K, M+H C52H80O24 -1.538132763 Niacin (Nicotinic acid) 124.0395166 1.0006 240 Unclassified Unclassified Unclassified Unclassified Unclassified 43.2 24.7 M+H C6H5NO2 1.721301708 6-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 374.1076434 1.8003 HMDB0124959 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 43.2 22.5 M+NH4 C15H16O10 -1.485146665 PGF1a alcohol 360.3102786 10.31675 LMFA03010173 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 43.2 21.9 M+NH4 C20H38O4 -1.626331718 N-oleoyl glutamine 449.2757251 5.994866667 LMFA08020128 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 43.2 25.5 M+K C23H42N2O4 -4.608306549 (10R,13R,16R)-d14-9-PhytoF[9S,12R] 367.2100315 7.535616667 LMFA02040070 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 43.2 25.9 M+H, M+Na, M+H-H2O C18H32O6 -1.480376845 Isoleucyl-Glycine 189.1233156 1.378866667 85813 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.1 25.5 M+H C8H16N2O3 -0.283023087 3-Pentylpyridine 150.1276274 15.55763333 90274 Organoheterocyclic compounds Pyridines and derivatives Unclassified Unclassified Unclassified 43.1 18.0 M+H C10H15N -0.660381992 Pteroyl-D-glutamic acid 474.1730629 4.278366667 HMDB0002140 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Unclassified D01211 43.1 20.4 M+H C20H23N7O7 -0.231622352 2-(hydroxymethyl)-2-methyl-2H-chromen-5-ol 210.1123568 1.850866667 HMDB0126383 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 43.0 20.4 M+NH4 C11H12O3 -0.587993376 Behenic acid 358.3674422 11.28201667 LMFA01010022 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C08281 43.0 21.5 M+NH4 C22H44O2 -1.510362827 N-(3-Aminopropyl)morpholine 145.1334616 2.224183333 44782 Unclassified Unclassified Unclassified Unclassified Unclassified 43.0 20.3 M+H C7H16N2O -0.540808031 Tetraethylene glycol 195.1226896 2.636816667 HMDB0094708 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 43.0 17.7 M+H, M+NH4, M+Na C8H18O5 -0.053990592 Hydroxypropionylcarnitine 234.1335344 4.966716667 LMFA07070074 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 43.0 29.2 M+H C10H19NO5 -0.277571556 Taraxacolide 1-O-b-D-glucopyranoside 446.2396283 5.223183333 HMDB0035610 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 43.0 34.6 M+NH4 C21H32O9 2.732675871 Carisoprodol 243.1701494 5.50615 HMDB0014539 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C07927 43.0 21.3 M+H-H2O C12H24N2O4 -0.651914825 omega-hydroxy myristic acid 262.2374324 6.383283333 LMFA01050044 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.0 21.8 M+NH4 C14H28O3 -0.974203841 Glutamylaspartic acid 245.076676 0.7879 HMDB0028815 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 42.9 20.7 M+H-H2O C9H14N2O7 -0.520876196 Dihydroferuperine 328.1320352 3.797416667 HMDB0040700 Organoheterocyclic compounds Piperidines N-acylpiperidines Unclassified Unclassified 42.9 26.3 M+K C17H23NO3 3.747195656 Isoleucyl-Methionine 263.1423653 4.393 85819 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.9 24.2 M+H C11H22N2O3S -0.094262874 Indoleacrylic acid 170.0598987 6.044966667 HMDB0000734 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 42.9 18.6 M+H-H2O C11H9NO2 -0.756649338 10-Deoxymethynolide 314.2322684 7.618366667 LMPK04000034 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides 2 C11993 42.9 23.7 M+NH4 C17H28O4 -1.068570032 Prostaglandin PGE2 1-glyceryl ester 444.2951803 8.430766667 HMDB0013043 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 42.9 41.1 M+NH4 C23H38O7 -0.93547699 2,4-Nonadien-1-ol 158.1538213 9.317566667 LMFA05000608 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 42.9 17.2 M+NH4 C9H16O -0.85220134 Phenylalanyl-Glycine 240.1340349 1.184816667 HMDB0028995 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.8 25.2 M+NH4 C11H14N2O3 -1.048771882 Allopurinol 137.0457282 1.2582 HMDB0014581 Organoheterocyclic compounds Pyrazolopyrimidines Pyrazolo[3,4-d]pyrimidines Unclassified Unclassified 42.8 20.1 M+H C5H4N4O -0.433386189 9,12-dihydroxy stearic acid 317.2682162 11.0171 35468 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 42.8 22.0 M+H C18H36O4 -1.327670746 Mefloquine 396.1502463 2.94865 HMDB0014502 Organoheterocyclic compounds Quinolines and derivatives 4-quinolinemethanols Unclassified C07633 42.8 29.3 M+NH4 C17H16F6N2O -0.692009104 PC(O-5:0/0:0)[R] 345.2132782 4.999783333 LMGP01060020 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 42.8 22.9 M+NH4 C13H30NO6P -4.956482589 6-Hydroxyetodolac 286.1438631 5.031616667 HMDB0060543 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 42.8 24.3 M+H-H2O C17H21NO4 0.307329295 Benzoic acid 105.0338797 5.047433333 HMDB0001870 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 C00539 42.8 21.8 M+H-H2O C7H6O2 3.18348918 Taurochenodeoxycholate-7-sulfate 602.2449711 5.3049 HMDB0002498 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 42.8 30.1 M+Na C26H45NO9S2 3.757254663 Reserpic acid 401.2068413 5.910883333 2255 Unclassified Unclassified Unclassified Unclassified Unclassified 42.8 20.7 M+H C22H28N2O5 -0.642444818 (-)-Carvomenthone 172.1693807 9.991666667 HMDB0034969 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 42.8 18.5 M+NH4 C10H18O -1.362448669 11'-Carboxy-alpha-tocotrienol 432.3102952 10.0824 HMDB0012516 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 42.7 19.9 M+NH4 C26H38O4 -1.303473665 Phthalic acid 149.023254 12.13366667 HMDB0002107 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C01606 42.7 16.8 M+H-H2O C8H6O4 -0.400233533 Acetylisoniazid 197.1032657 2.142083333 HMDB0041821 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C07585 42.7 19.1 M+NH4 C8H9N3O2 -0.20315008 OR-1896 263.1499116 4.262333333 HMDB0060861 Benzenoids Benzene and substituted derivatives Anilides Unclassified Unclassified 42.7 26.7 M+NH4 C13H15N3O2 -1.389851019 1'-Acetoxyeugenol acetate 282.1336248 4.393 HMDB0036544 Benzenoids Phenol esters Unclassified Unclassified Unclassified 42.7 23.0 M+NH4 C14H16O5 0.09714256 Artesunate 385.1855425 5.944716667 604 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Unclassified Unclassified 42.7 19.9 M+H C19H28O8 -0.395102544 N-Decanoylglycine 212.1642973 7.25285 HMDB0013267 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.7 21.3 M+H-H2O, M+H C12H23NO3 -0.907892672 Taurine 126.0220604 0.690983333 31 Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives 2 C00245 42.6 24.0 M+H-H2O, M+H C2H7NO3S 2.481271464 N1,N5,N10-Tris-trans-p-coumaroylspermine 641.3324367 4.7945 94504 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 42.6 26.5 M+H C37H44N4O6 -1.444390198 Idazoxan 205.0971074 5.619533333 68730 Unclassified Unclassified Unclassified Unclassified Unclassified 42.6 17.6 M+H C11H12N2O2 -0.228408592 Nalidixic acid 233.0919269 5.635316667 1408 Organoheterocyclic compounds Diazanaphthalenes Naphthyridines Unclassified C05079 42.6 16.4 M+H C12H12N2O3 -0.61098828 OKHdiA-PE 651.3593378 6.0775 LMGP20020041 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 42.6 21.5 M+NH4 C30H52NO11P -3.609241625 DIPROTIN B 328.223007 4.871 44661 Unclassified Unclassified Unclassified Unclassified Unclassified 42.5 19.5 M+H C16H29N3O4 -0.231707879 5-(4-hydroxy-3-methoxyphenyl)pentanoic acid 225.1120534 5.223183333 HMDB0127761 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 42.5 23.5 M+H-H2O, M+H C12H16O4 0.173295254 1-(O-alpha-D-glucopyranosyl)-29-keto-(1,3R,31R)-dotriacontanetriol 697.5216024 5.50615 LMFA13010030 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 42.5 19.0 M+Na C38H74O9 -1.337575711 Rhubafuran 159.1166553 5.810533333 HMDB0036021 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 42.5 19.3 M+H-H2O C12H16O -0.974087672 TBS-Corey Lactone Aldehyde 285.1517832 9.033366667 63031 Unclassified Unclassified Unclassified Unclassified Unclassified 42.5 23.9 M+H C14H24O4Si 0.425766847 Tetranor-PGF1alpha 323.1817328 4.327383333 LMFA03010213 Unclassified Unclassified Unclassified Unclassified Unclassified 42.4 23.1 M+Na C16H28O5 -3.870440393 17-phenyl-trinor-PGF2alpha 411.215046 4.7151 LMFA03010081 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 42.4 31.7 M+Na C23H32O5 2.192597454 3-Methoxy-4-hydroxyphenylglycol glucuronide 378.1390753 6.332866667 HMDB0000496 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03033 42.4 21.6 M+NH4 C15H20O10 -1.102706862 PGF2alpha-11-acetate 414.2846664 7.13705 LMFA03010096 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 42.4 18.9 M+H-H2O, M+NH4 C22H36O6 -0.364486542 6-Hydroxynicotinic acid 140.0342017 1.363833333 3264 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C01020 42.3 19.1 M+H C6H5NO3 -0.127731051 Glycochenodeoxycholic acid 432.3101502 10.31675 LMST05030008 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified C05462 42.3 18.3 M+H-H2O C26H43NO5 -1.524613019 4-Hydroxy-3-nitrosobenzamide 167.0450756 3.050183333 69313 Unclassified Unclassified Unclassified Unclassified Unclassified 42.3 20.5 M+H, M+Na C7H6N2O3 -0.258542036 Fasoracetam 197.1284269 3.23705 69559 Unclassified Unclassified Unclassified Unclassified Unclassified 42.3 16.6 M+H C10H16N2O2 -0.139163092 Enokipodin D 280.1545247 4.294566667 HMDB0038399 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 42.3 18.6 M+NH4 C15H18O4 0.725195428 N-Benzoyl-D-arginine 279.1451475 4.8098 65879 Unclassified Unclassified Unclassified Unclassified Unclassified 42.3 16.5 M+H C13H18N4O3 -0.069611219 Cinnamyl isovalerate 236.1644063 4.856283333 HMDB0041318 Benzenoids Benzene and substituted derivatives Styrenes Unclassified Unclassified 42.3 21.1 M+NH4 C14H18O2 -0.453943577 Diethyl L-malate 213.0733367 5.063266667 HMDB0040220 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Unclassified Unclassified 42.3 15.9 M+H, M+Na, M+NH4 C8H14O5 0.371944989 imidaprilat 378.1665959 5.223183333 96173 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.3 23.6 M+H C18H23N3O6 1.680933215 6-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 261.096844 5.239483333 LMSL05000002 Unclassified Unclassified Unclassified Unclassified Unclassified 42.3 19.6 M+H-H2O, M+NH4 C11H18O8 -0.126795519 10E-Pentadecen-6,8-diynoic acid 250.1799777 5.364233333 LMFA01031097 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 42.3 18.0 M+NH4 C15H20O2 -0.765454175 N-Acetoxymethylflindersine 317.1491562 6.154283333 HMDB0039879 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified Unclassified 42.3 20.2 M+NH4 C17H17NO4 -1.428817655 2-Hydroxy-7,8-dehydrograndiflorone 346.1645344 6.954833333 LMPK12120415 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 42.3 20.3 M+NH4 C19H20O5 -1.111916231 PG(10:0/10:0) 572.3577422 8.266283333 LMGP04010032 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 42.3 57.2 M+NH4 C26H51O10P 3.485657334 (S)-Annocherine A 315.1334373 8.314966667 HMDB0038723 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Unclassified Unclassified 42.3 18.9 M+NH4 C17H15NO4 -1.670112034 Theonellasterol B 423.3616517 9.598433333 LMST01040181 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 42.3 19.2 M+H-H2O, M+H C30H46O -1.156994913 9-pentadecen-1-ol 244.263222 9.880183333 LMFA05000050 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 42.3 17.1 M+NH4 C15H30O -1.189544632 4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose 490.1762194 0.690983333 HMDB0039742 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 42.2 16.1 M+NH4 C17H28O15 -0.902984857 1-Methylhypoxanthine 151.0614053 1.184816667 3779 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 42.2 15.5 M+H C6H6N4O -0.213145463 2-Hydroxyglutaric acid lactone 113.0236257 1.5667 HMDB0059743 Organoheterocyclic compounds Lactones Gamma butyrolactones Unclassified Unclassified 42.2 17.8 M+H-H2O, M+H C5H6O4 2.347440288 Ouabain 602.3142634 4.74755 HMDB0015224 Benzenoids Benzene and substituted derivatives Diphenylmethanes 2 C01443 42.2 28.3 M+NH4 C29H44O12 -4.858939912 (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 488.2714366 5.031616667 HMDB0032799 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 42.2 22.0 M+NH4 C20H38O12 2.731413902 Uniconazole P 292.1208607 5.76095 72300 Unclassified Unclassified Unclassified Unclassified Unclassified 42.2 41.0 M+H C15H18ClN3O -0.878297682 Lauric acid 218.2112829 6.2338 LMFA01010012 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C02679 42.2 15.0 M+NH4 C12H24O2 -0.862364452 2-amino-6-hydroxyhexanoic acid 148.097505 4.426716667 HMDB0142963 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.1 23.1 M+H C6H13NO3 4.659246138 AM2201 N-(4-hydroxypentyl) metabolite 376.171382 4.50795 96633 Unclassified Unclassified Unclassified Unclassified Unclassified 42.1 23.0 M+H C24H22FNO2 1.728271854 3-methoxy Limaprost 413.2882171 6.266266667 45111 Unclassified Unclassified Unclassified Unclassified Unclassified 42.1 24.5 M+H C23H40O6 -3.755529629 PC(20:2(11Z,14Z)/0:0) 565.3952887 6.416 LMGP01050132 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 42.1 21.3 M+NH4 C28H54NO7P -4.250342562 1-(1-Pyrrolidinyl)-2-propanone 145.1335272 0.7879 HMDB0040030 Organoheterocyclic compounds Pyrrolidines N-alkylpyrrolidines Unclassified Unclassified 42.0 12.6 M+H, M+NH4 C7H13NO 0.746151366 19-oxo-eicosanoic acid 344.3155744 10.98478333 LMFA01060132 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 42.0 17.7 M+NH4 C20H38O3 -1.06101193 N-(5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine 398.3047477 11.10941667 LMFA08040021 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 42.0 19.2 M+Na C24H41NO2 4.789242438 19-dimethylarsinoyl-nonadecanoic acid 419.2499429 5.063266667 LMFA00000039 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified Unclassified 42.0 18.5 M+H C21H43AsO3 -0.359211042 1-Hydroxy-3-methoxy-10-methylacridone 273.1231711 5.894166667 HMDB0029322 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 42.0 11.2 M+NH4 C15H13NO3 -0.77489918 Capsiate 345.1473826 6.48265 HMDB0034780 Benzenoids Phenols Methoxyphenols Unclassified C20203 42.0 17.5 M+K C18H26O4 3.642167836 3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid 452.3365017 9.750433333 LMST04030199 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 42.0 21.9 M+NH4 C26H42O5 -1.262464539 L-4-Hydroxy-3-methoxy-a-methylphenylalanine 226.1073728 4.932916667 1219 Unclassified Unclassified Unclassified Unclassified Unclassified 41.9 15.5 M+H C11H15NO4 -0.051651867 Citroside A 369.1924652 5.079183333 HMDB0030370 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 41.9 23.1 M+H-H2O C19H30O8 4.364579112 N-octanoyl-L-Homoserine lactone 228.1592298 6.582466667 45309 Unclassified Unclassified Unclassified Unclassified Unclassified 41.9 22.8 M+H C12H21NO3 -0.837075955 5E-Dodecen-1-ol 202.2163117 7.709683333 LMFA05000146 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 41.9 15.1 M+NH4 C12H24O -1.244719766 Heptadecanoic acid 288.2893309 9.63115 HMDB0002259 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 41.9 15.7 M+NH4 C17H34O2 -1.387497505 3-Phenylpropionylglycine 225.1232196 0.663316667 HMDB0002042 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 41.8 18.1 M+NH4 C11H13NO3 -0.720590133 N1,N8-Diacetylspermidine 230.1862248 1.0006 HMDB0041947 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 41.8 10.5 M+H, M+Na C11H23N3O2 -0.342928941 9,9-dimethoxy-nonanoic acid 236.1853692 1.154533333 LMFA01080019 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 41.8 13.3 M+NH4 C11H22O4 -1.217063283 Histidinyl-Glycine 195.0876921 1.349116667 HMDB0028885 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.8 19.3 M+H-H2O C8H12N4O3 0.188965824 6-(2,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 303.0708759 1.733633333 HMDB0125509 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 41.8 14.4 M+H, M+Na C12H14O9 -0.604416681 2-(5-Methyl-2-furanyl)-3-piperidinol 199.1440019 2.224183333 HMDB0039838 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 41.8 18.3 M+NH4 C10H15NO2 -0.565141768 Tryptophyl-Glutamate 351.1661931 4.55555 HMDB0029082 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.8 22.6 M+NH4 C16H19N3O5 -0.309708401 3-Acetoxyscirpene-4,15-diol 342.1901699 4.7945 HMDB0034576 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 41.8 27.9 M+NH4 C17H24O6 -2.912472897 (2E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid 265.1545524 5.537433333 HMDB0139553 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C10497 41.8 18.2 M+H C14H20N2O3 -0.441175321 Dodecyl glucoside 349.2580251 6.465933333 34493 Unclassified Unclassified Unclassified Unclassified Unclassified 41.8 16.6 M+H, M+Na, M+H-H2O C18H36O6 -1.264059307 13-hydroxy-9-methoxy-10-oxooctadec-11-enoic acid 360.2741756 7.070766667 LMFA02000288 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 41.8 16.0 M+NH4 C19H34O5 -0.800969071 Sphingosine-1-phosphate 362.2473129 9.70755 LMSP01050001 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids 2 C06124 41.8 50.2 M+H-H2O C18H38NO5P 4.854903648 Tobramycin 490.2470392 4.666383333 HMDB0014822 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00397 41.7 17.9 M+Na, M+K C18H37N5O9 -2.802083543 Neotame 401.2031102 5.015383333 HMDB0034566 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.7 20.2 M+Na C20H30N2O5 -4.184255763 Kurilensoside F 631.4021697 5.745083333 84935 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified Unclassified 41.7 23.7 M+H C33H58O11 -4.789741945 repaglinide aromatic amine 385.2115685 6.44925 HMDB0061005 Benzenoids Benzene and substituted derivatives Phenylacetamides Unclassified Unclassified 41.7 15.1 M+H C22H28N2O4 -1.601473078 Asparaginyl-Histidine 270.1185278 0.986166667 85648 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.6 15.3 M+H C10H15N5O4 -4.283196445 DL-Dopa 198.0761397 1.0006 HMDB0000609 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00355 41.6 11.7 M+H, M+NH4 C9H11NO4 0.281066916 1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone 225.1597202 4.932916667 HMDB0040010 Organoheterocyclic compounds Pyrrolizines Unclassified Unclassified Unclassified 41.6 12.6 M+NH4 C12H17NO2 -0.1647362 Xanthotoxol glucoside 387.0675694 5.776783333 HMDB0038626 Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Unclassified Unclassified 41.6 17.8 M+Na C17H16O9 -2.97553086 3-Nonyl-1H-pyrazole 233.1409544 5.8605 HMDB0034210 Organoheterocyclic compounds Azoles Pyrazoles Unclassified Unclassified 41.6 24.2 M+K C12H22N2 -2.587085895 Tryptophyl-Leucine 300.1705072 6.53305 HMDB0029087 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.6 15.4 M+H-H2O C17H23N3O3 -0.460913635 Capnine 374.2351943 6.892733333 LMSP01080041 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 41.6 20.3 M+Na C17H37NO4S 4.680331795 PI(O-20:0/0:0) 632.4108906 8.975683333 LMGP06060001 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 41.6 19.6 M+NH4 C29H59O11P -3.962171227 6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone 152.0705482 0.7464 HMDB0035178 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified Unclassified 41.5 14.5 M+H-H2O C8H11NO3 -0.335741693 Serylasparagine 202.0821185 0.7464 HMDB0029034 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.5 11.6 M+H-H2O C7H13N3O5 -0.519498777 Cinnamyl butyrate 222.1487872 4.262333333 HMDB0041316 Benzenoids Benzene and substituted derivatives Styrenes Unclassified Unclassified 41.5 13.3 M+NH4 C13H16O2 -0.333328781 Carbinoxamine 308.1527258 5.1774 HMDB0014886 Benzenoids Benzene and substituted derivatives Benzylethers Unclassified C06871 41.5 39.2 M+NH4 C16H19ClN2O 1.066320146 Cinegalline 431.2172183 5.84335 68558 Unclassified Unclassified Unclassified Unclassified Unclassified 41.5 10.5 M+H C23H30N2O6 -1.03387389 Hydroxyprolyl-Glutamine 260.1239248 0.73255 85769 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.4 34.1 M+H C10H17N3O5 -0.665020344 1,4'-Bipiperidine-1'-carboxylic acid 230.1861687 0.7879 HMDB0060336 Organoheterocyclic compounds Piperidines Piperidinecarboxylic acids and derivatives Unclassified C16836 41.4 11.9 M+NH4 C11H20N2O2 -0.635037693 6,8-dihydroxy-octanoic acid 194.1394195 1.056116667 LMFA01050228 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 41.4 21.0 M+NH4 C8H16O4 4.173767068 4E-nonenoic acid 174.1488465 1.599716667 LMFA01030445 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 41.4 11.9 M+NH4 C9H16O2 -0.056274662 6-Keto-decanoylcarnitine 330.2270605 10.36001667 LMFA07070047 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 41.4 11.6 M+H, M+Na, M+H-H2O C17H31NO5 -1.333572593 pre-putrebactin 373.2079259 4.650983333 LMFA08020201 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 41.4 21.5 M+H-H2O C16H30N4O7 -0.60257419 DMG-MINO 575.2808183 4.74755 LMPK07000009 Lipids and lipid-like molecules Polyketides Linear tetracyclines Unclassified C12011 41.4 23.0 M+NH4 C27H35N5O8 -2.818008097 N-(4-aminobutyl)-3-(4-hydroxyphenyl)oxirane-2-carboximidic acid 268.1656098 5.161166667 HMDB0139530 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Unclassified Unclassified 41.4 15.7 M+NH4 C13H18N2O3 0.167013172 OKODiA-PG 696.3710694 6.154283333 LMGP20060030 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 41.4 13.3 M+NH4 C32H55O13P -1.156633316 12-hydroxyjasmonic acid 12-O-beta-D-glucoside 404.2276154 6.18665 LMFA02020207 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 41.4 23.5 M+NH4, M+Na, M+H-H2O C19H30O8 -0.720049325 2-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,3,5-triol 263.1638494 7.585266667 HMDB0133061 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 41.4 16.8 M+H-H2O, M+H C16H22O3 -0.883986596 5-(3-Pyridyl)-2-hydroxytetrahydrofuran 183.1128336 1.54975 HMDB0062407 Organoheterocyclic compounds Pyridines and derivatives Unclassified 2 C19578 41.3 11.4 M+NH4 C9H11NO2 0.178607281 2-Methylpropyl 2-aminobenzoate 211.1440171 4.34365 HMDB0035072 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 41.3 12.3 M+NH4 C11H15NO2 -0.451376831 Probenecid 303.1370897 4.983366667 HMDB0015166 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified C07372 41.3 14.1 M+NH4 C13H19NO4S -0.753968272 (-)-Euphomine 579.2935372 5.1277 LMPR0104300003 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 41.3 25.0 M+Na C32H44O8 1.255019012 QH(2) 253.1433239 5.944716667 96257 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 41.3 23.7 M+H C14H20O4 -0.442685089 Clausarinol 432.2376729 9.9442 HMDB0041407 Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins Unclassified Unclassified 41.3 16.5 M+NH4 C24H30O6 -0.944675148 Ipurolic acid 283.1876244 1.070083333 LMFA01050081 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 41.2 14.5 M+Na C14H28O4 -1.367030216 (E)-2-Tridecene-4,6,8-triyn-1-ol 204.138164 11.63391667 HMDB0030931 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 41.2 9.81 M+NH4 C13H14O -0.68023861 3Z,13Z-octadecadien-1-ol 284.2944511 14.5149 LMFA05000047 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 41.2 12.1 M+NH4 C18H34O -1.277608208 2,5-Dibutyl-4-methyloxazole 178.1588765 15.18841667 HMDB0037898 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 41.2 9.22 M+H-H2O C12H21NO -0.766471729 N-(3-oxo-octanoyl)-homoserine lactone 259.1651936 3.118266667 LMFA08030004 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified C11841 41.2 12.8 M+NH4 C12H19NO4 -0.165928104 25-Hydroxyvitamin D3-26,23-lactol 431.3154709 7.695566667 HMDB0060127 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 41.2 23.5 M+H C27H42O4 -0.26814389 Trigoforin 189.0908127 9.850133333 86305 Phenylpropanoids and polyketides Coumarins and derivatives Unclassified Unclassified Unclassified 41.2 11.1 M+H C12H12O2 -1.027787243 2,3-Diethyl-5-methylpyrazine 151.1229954 1.5832 95751 Organoheterocyclic compounds Diazines Pyrazines 1 Unclassified 41.1 9.3 M+H C9H14N2 0.136454183 9,13-DiHOME(11) 332.2790877 10.82331667 LMFA02000163 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 41.1 12.8 M+NH4 C18H34O4 -1.423763605 Milrinone 250.0383458 2.0298 HMDB0014380 Organoheterocyclic compounds Pyridines and derivatives Bipyridines and oligopyridines Unclassified C07224 41.1 22.0 M+K C12H9N3O 2.964955628 Butralin 296.1606225 4.587983333 72384 Unclassified Unclassified Unclassified Unclassified Unclassified 41.1 10.6 M+H, M+Na C14H21N3O4 0.473839426 p-Lactophenetide 210.1124986 4.635566667 69921 Unclassified Unclassified Unclassified Unclassified Unclassified 41.1 8.88 M+H C11H15NO3 0.137629843 ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 210.1123857 4.779683333 HMDB0131282 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 41.1 11.3 M+NH4 C11H12O3 -0.437717373 DMABA NHS ester 263.102683 5.0956 96490 Unclassified Unclassified Unclassified Unclassified Unclassified 41.1 9.23 M+H, M+Na, M+H-H2O C13H14N2O4 0.189496635 Agrocybenine 224.1758125 5.111566667 HMDB0041445 Organoheterocyclic compounds Pyrrolopyridines Unclassified Unclassified Unclassified 41.1 10.3 M+NH4 C12H18N2O 0.357859525 L-Furosine 255.1337131 5.8605 86236 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.1 40.1 M+H C12H18N2O4 -0.867442732 Feruloyl-2-hydroxyputrescine 281.1493477 6.332866667 89292 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 41.1 19.7 M+H, M+Na, M+K C14H20N2O4 -0.84194861 Prenyl glucoside 266.1594738 0.64945 HMDB0031876 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 C09808 41.0 8.21 M+NH4 C11H20O6 -1.370559916 Orciprenaline 229.1545225 0.80175 HMDB0014954 Benzenoids Phenols Benzenediols Unclassified C07144 41.0 8.74 M+NH4 C11H17NO3 -0.693630638 (Ac)2-L-Lys-D-Ala 302.1707307 1.666633333 65775 Unclassified Unclassified Unclassified Unclassified Unclassified 41.0 15.6 M+H C13H23N3O5 -1.051318237 Flupenthixol 419.176961 1.917 HMDB0015013 Organoheterocyclic compounds Benzothiopyrans 1-benzothiopyrans Unclassified Unclassified 41.0 15.5 M+H-H2O C23H27F3N2OS 1.444564629 1-Carbapen-2-em-3-carboxylic acid 154.0497668 2.256333333 66482 Unclassified Unclassified Unclassified Unclassified Unclassified 41.0 10.6 M+H C7H7NO3 -0.671479901 Dihydroxycarteolol M2 325.1754715 5.6028 1556 Unclassified Unclassified Unclassified Unclassified Unclassified 41.0 11.4 M+H C16H24N2O5 -1.008152698 Americine 546.3090063 7.502433333 HMDB0034441 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C09996 41.0 21.3 M+H, M+NH4 C31H39N5O4 2.796800446 2-(1,2-Diamino-1-propenyl)phenol 182.1288398 1.40935 HMDB0034900 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids 1 Unclassified 40.9 14.8 M+NH4 C9H12N2O 0.312345173 Imidazoleacetic acid 127.0503292 1.933416667 6445 Organoheterocyclic compounds Azoles Imidazoles 2 C02835 40.9 15.4 M+H-H2O, M+H C5H6N2O2 2.839837724 N-(4-aminobutyl)-3-(2,4-dihydroxy-3-methoxyphenyl)prop-2-enimidic acid 281.1496033 4.491716667 HMDB0139614 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 40.9 13.1 M+H C14H20N2O4 0.070630496 3alpha-Tigloyloxytropane N-oxide 257.1858628 4.779683333 HMDB0033454 Alkaloids and derivatives Tropane alkaloids Unclassified Unclassified Unclassified 40.9 7.64 M+NH4 C13H21NO3 -0.444448662 2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone 322.2013423 5.569416667 HMDB0060352 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 2 C17562 40.9 9.6 M+NH4 C18H24O4 0.189091808 N-Desmethylzolmitriptan 274.1549359 5.8605 72010 Unclassified Unclassified Unclassified Unclassified Unclassified 40.9 12.5 M+H C15H19N3O2 -0.246658928 3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal 240.0864266 1.098383333 HMDB0128662 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 40.8 11.4 M+NH4 C11H10O5 -1.001159164 Lysyl-Tyrosine 310.1759244 1.533116667 HMDB0028963 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.8 9.03 M+H C15H23N3O4 -0.673541547 p-Hydroxyfelbamate 272.1239218 1.834116667 HMDB0060669 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 2 C16584 40.8 9.97 M+NH4 C11H14N2O5 -0.689901926 3-hydroxypalmitoleoylcarnitine 414.3205953 10.36001667 LMFA07070044 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 40.8 21.5 M+H C23H43NO5 -1.946675554 9,10-dimethoxy-13-hydroxy-11-octadecenoic acid 376.3050669 10.90575 LMFA01080004 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 40.8 14.9 M+NH4, M+Na C20H38O5 -1.906257376 3''-Hydroxy-geranylhydroquinone 263.1638906 11.10941667 64007 Unclassified Unclassified Unclassified Unclassified Unclassified 40.8 7.94 M+H-H2O, M+H C16H22O3 -1.047022248 Licoricesaponin E2 859.3472099 3.8997 HMDB0038719 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 40.8 25.5 M+K C42H60O16 -4.978208695 docebenone 349.1759411 5.111566667 LMFA05000652 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 40.8 29.9 M+Na C21H26O3 -4.519600789 Pantothenol 244.0967833 5.1277 LMFA08020198 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 2 C05944 40.8 6.07 M+H-H2O, M+K C9H19NO4 0.360992002 O-(11-carboxyundecanoyl)carnitine 356.2428579 5.877366667 LMFA07070083 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 40.8 25.4 M+H-H2O C19H35NO6 -0.781517158 Rivastigmine 251.1753061 4.9001 69205 Benzenoids Benzene and substituted derivatives Phenoxy compounds Unclassified C11766 40.7 7.31 M+H C14H22N2O2 -0.39268966 Piplartine 335.1601548 4.999783333 HMDB0030341 Phenylpropanoids and polyketides Cinnamic acids and derivatives Unclassified Unclassified C10166 40.7 6.31 M+NH4 C17H19NO5 0.020603739 Feruperine 288.1595055 5.079183333 95173 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 40.7 11.9 M+H C17H21NO3 0.297825594 Formoterol 362.2070971 5.33425 HMDB0015118 Benzenoids Benzene and substituted derivatives Phenethylamines Unclassified C07805 40.7 13.3 M+NH4 C19H24N2O4 -0.975484626 Marimastat 332.2174582 5.364233333 HMDB0014924 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 40.7 15.1 M+H C15H29N3O5 -1.628340016 3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid 442.3160443 8.34725 5329 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 40.7 27.7 M+H, M+NH4 C24H40O6 -0.784640516 Pirbuterol 241.1544039 2.454333333 66744 Organoheterocyclic compounds Pyridines and derivatives Hydroxypyridines Unclassified C07807 40.6 12.0 M+H C12H20N2O3 -1.10348305 3,6-Ditigloyloxytropan-7-ol 320.1857297 5.161166667 HMDB0029325 Alkaloids and derivatives Tropane alkaloids Unclassified Unclassified Unclassified 40.6 8.19 M+H-H2O, M+NH4 C18H27NO5 0.281598623 Citreovirenone 266.1386383 5.66695 HMDB0033515 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 40.6 13.4 M+NH4 C14H16O4 -0.18625475 Coutaric acid 350.2070124 5.713466667 HMDB0029225 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C01327 40.6 18.7 M+H C18H27N3O4 -1.203940295 Dinor-10-NO2-CLA 315.227356 7.037866667 LMFA01120008 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 40.6 10.7 M+NH4 C16H27NO4 -1.607940805 3-hydroxytridecanoyl carnitine 356.2785455 8.672883333 HMDB0061639 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 40.6 28.5 M+H-H2O, M+Na C20H39NO5 -2.651059205 4E,6E,12Z-Tetradecatriene-8,10-diynoic acid 237.088365 1.140533333 LMFA01031065 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 40.5 14.0 M+Na C14H14O2 -1.099445767 Nebularine 253.0927836 1.2582 HMDB0029956 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified C01736 40.5 7.01 M+H C10H12N4O4 -1.379305175 Descarbonyl-lacosamide 209.128372 1.767216667 HMDB0060813 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.5 10.4 M+H-H2O, M+H C11H16N2O2 -0.176097166 Armillarin 415.2109916 10.90575 HMDB0039380 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 40.5 10.3 M+H, M+Na, M+K, M+NH4 C24H30O6 -1.263792278 Quinaldic acid 174.0549884 4.7151 5805 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Unclassified C06325 40.5 6.42 M+H C10H7NO2 0.193357923 Leonuridine 349.1503631 5.272583333 71500 Unclassified Unclassified Unclassified Unclassified Unclassified 40.5 15.1 M+H C15H24O9 3.028355884 16-phenyl-tetranor-PGE2 390.2275892 5.50615 LMFA03010066 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 40.5 18.0 M+NH4 C22H28O5 0.24093212 Propafenone 359.2322894 6.107866667 HMDB0015313 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Unclassified Unclassified C07381 40.5 16.9 M+NH4 C21H27NO3 -1.845997078 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al 387.2137513 7.957766667 HMDB0006754 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05473 40.5 13.9 M+Na C21H32O5 -1.2177869 (S)-Verimol F 273.1482105 8.549466667 91638 Benzenoids Benzene and substituted derivatives Diphenylmethanes Unclassified Unclassified 40.5 18.8 M+H C17H20O3 -1.140726037 beta-Zearalenol 338.1956435 8.763666667 HMDB0041838 Phenylpropanoids and polyketides Macrolides and analogues Unclassified Unclassified C14751 40.5 11.2 M+NH4 C18H24O5 -1.73623251 1-AMINO-3,3-DIETHOXYPROPANE 148.1330656 0.704816667 85016 Unclassified Unclassified Unclassified Unclassified Unclassified 40.4 10.9 M+H C7H17NO2 -0.948754898 8-hydroxy-nonanoic acid 192.1594822 1.0006 LMFA01050231 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 40.4 5.33 M+NH4 C9H18O3 0.357359661 2,6-Di-tert-butyl-1,4-benzenediol 223.1690291 11.36115 94713 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 40.4 5.83 M+H C14H22O2 -1.022924359 O-propanoyl-D-carnitine 235.1648115 2.387916667 LMFA07070099 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 40.4 9.32 M+NH4 C10H19NO4 -1.944117714 3-Hydroxymonoethylglycylxylidide (3-Hydroxy-MEGX) 223.1439137 2.66965 1002 Unclassified Unclassified Unclassified Unclassified Unclassified 40.4 5.47 M+H C12H18N2O2 -0.857976074 1-Octene 130.1591622 4.9001 HMDB0032449 Hydrocarbons Unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Unclassified Unclassified 40.4 8.31 M+NH4 C8H16 1.214371033 Macrophorin A 383.2192635 5.3049 HMDB0030454 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 40.4 16.7 M+Na C22H32O4 -0.046419317 PGF2alpha methyl ester 386.2895474 9.482766667 LMFA03010115 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 40.4 7.62 M+NH4 C21H36O5 -1.500085217 4-Amino-5-hydroxymethyl-2-methylpyrimidine 140.0817335 1.2294 3265 Unclassified Unclassified Unclassified Unclassified Unclassified 40.3 6.17 M+H C6H9N3O -0.753987918 2-Ethoxy-5-methylpyrazine 156.1131046 2.207783333 HMDB0040142 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 40.3 4.39 M+NH4 C7H10N2O -0.24528303 3-(3,4-Dimethoxyphenyl)-2-propenoic acid 226.1072106 2.814283333 HMDB0034315 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 40.3 8.76 M+NH4 C11H12O4 -0.835247384 Physagulin C 543.2589789 5.272583333 HMDB0038535 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 40.3 18.9 M+H C30H38O9 0.220685772 Ramiprilat 406.2332927 6.011633333 HMDB0060579 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.3 16.1 M+NH4 C21H28N2O5 -0.914076964 Caproylcholine 241.1431654 6.0775 HMDB0013224 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Unclassified Unclassified 40.3 6.56 M+K C11H24NO2+ -3.445949424 Kamahine C 286.1658472 8.535433333 HMDB0038935 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 40.3 19.6 M+NH4 C14H20O5 3.535438334 Hydroxyhexanoycarnitine 258.1686562 2.91515 LMFA07070072 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 40.2 16.2 M+H-H2O C13H25NO5 -4.827804224 PE(6:0/6:0) 429.2342043 4.682216667 LMGP02010104 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 40.2 7.36 M+NH4 C17H34NO8P -4.437939135 Diphthamide 299.1964862 5.161166667 HMDB0060473 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.2 14.0 M+H C13H24N5O3+ 4.343162936 (24R)-11alpha,20,24-trihydroxyecdysone 495.29629 5.161166667 LMST01010177 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 40.2 5.59 M+H-H2O C27H44O9 2.040403948 Myricatomentoside I 543.1607563 5.944716667 HMDB0031536 Lignans, neolignans and related compounds Lignan glycosides Unclassified Unclassified Unclassified 40.2 11.1 M+K C26H32O10 -3.86556958 Desmethylazelastine 368.1523213 6.282966667 HMDB0060534 Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Unclassified Unclassified 40.2 27.7 M+H C21H22ClN3O -0.259091144 Isovalerylglucuronide 296.1352717 4.34365 HMDB0002091 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 40.1 8.29 M+NH4 C11H18O8 4.597869397 Tyrosyl-Lysine 327.2019838 5.3049 HMDB0029110 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.1 19.5 M+NH4 C15H23N3O4 -2.257405581 N-Acetylisoputreanine 225.1199688 5.364233333 HMDB0094713 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.1 10.7 M+Na, M+K C9H18N2O3 -4.919093455 beta-Eucaine 270.1486142 5.6028 69846 Unclassified Unclassified Unclassified Unclassified Unclassified 40.1 10.0 M+H, M+Na C15H21NO2 -0.694516185 3-Hydroxy-4-aminopyridine sulfate 208.0391404 9.991666667 HMDB0061120 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 40.1 10.4 M+NH4 C5H6N2O4S 2.564331607 Deca-4,6,8-triyne-1,1,2,3-tetraol 212.0917029 1.54975 LMFA05000711 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 40.0 11.0 M+NH4 C10H10O4 -0.161750278 2,4-Dihydroxytacrine 231.1126414 3.220116667 2626 Unclassified Unclassified Unclassified Unclassified Unclassified 40.0 3.29 M+H C13H14N2O2 -0.707237689 Methyl 7-epi-12-hydroxyjasmonate glucoside 420.2221832 5.0956 HMDB0031763 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 40.0 14.0 M+NH4, M+Na C19H30O9 -1.553759958 N-(dodecanoyl)-homoserine lactone 306.206099 5.745083333 LMFA08030014 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 40.0 6.12 M+H, M+Na C16H29NO3 -0.52347502 (E,E)-Piperlonguminine 291.1703499 6.011633333 HMDB0030187 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 40.0 22.6 M+NH4 C16H19NO3 0.113190842 5-(1-Hydroxyethyl)-4-methylthiazole 144.0477404 1.767216667 1874 Unclassified Unclassified Unclassified Unclassified Unclassified 39.9 51.2 M+H C6H9NOS -0.146729792 Pentobarbital 209.1285077 4.47545 HMDB0014457 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07422 39.9 3.64 M+H-H2O, M+Na C11H18N2O3 0.236779676 11alpha-hydroxyprogesterone 11-glucosiduronic acid 507.2596658 5.4597 LMST05010050 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified Unclassified 39.9 12.2 M+H C27H38O9 1.593243047 Bisacurone epoxide 269.1744835 5.810533333 93181 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 39.9 37.5 M+H C15H24O4 -0.940218977 Hexylcaine 279.2064825 6.218066667 HMDB0014616 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C14172 39.9 4.82 M+H, M+NH4 C16H23NO2 -1.2411658 4-Hydroxymandelonitrile 150.0549492 0.00225 HMDB0060318 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 3 C03742 39.8 0.0 M+H C8H7NO2 -0.037910571 4-Amino-1-piperidinecarboxylic acid 145.0971812 0.663316667 71376 Organoheterocyclic compounds Piperidines Piperidinecarboxylic acids and derivatives Unclassified C16837 39.8 0.0 M+H C6H12N2O2 0.188527508 (Z)-3-Nonen-1-ol 143.1430494 1.098383333 HMDB0030959 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 39.8 0.0 M+H C9H18O 0.055001805 p-Butylaminobenzoic acid 194.1175691 1.112483333 2809 Unclassified Unclassified Unclassified Unclassified Unclassified 39.8 0.0 M+H C11H15NO2 0.072091526 PROPOXUR 227.1388703 1.533116667 44243 Unclassified Unclassified Unclassified Unclassified Unclassified 39.8 0.0 M+H-H2O, M+NH4 C11H15NO3 -0.422501105 (3-Methylcrotonyl)glycine methyl ester 172.096766 1.767216667 6386 Unclassified Unclassified Unclassified Unclassified Unclassified 39.8 0.0 M+H, M+Na C8H13NO3 -0.313707203 3-Methylene-indolenine 130.0652057 2.404266667 62407 Organoheterocyclic compounds Indoles and derivatives Unclassified Unclassified Unclassified 39.8 8.2 M+H C9H7N 0.620496125 gamma-CEHC Glc 409.1865967 4.064383333 LMPR02020053 Lipids and lipid-like molecules Prenol lipids Quinones and hydroquinones Unclassified Unclassified 39.8 6.36 M+H-H2O C21H30O9 2.117403283 Ovalicin 319.151006 4.731233333 HMDB0038120 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified C09674 39.8 7.95 M+Na C16H24O5 -1.987338671 4-Dedimethylamino-4-oxo-anhydrotetracycline 415.1134204 4.825566667 LMPK07000007 Lipids and lipid-like molecules Polyketides Linear tetracyclines 2 C06627 39.8 1.98 M+NH4 C20H15NO8 -0.432060639 Pramanicin 370.2223689 4.841016667 53948 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 39.8 19.6 M+H C19H31NO6 -0.12242482 Erythratine 333.1808178 5.1774 HMDB0030181 Alkaloids and derivatives Erythrina alkaloids Erythrinanes Unclassified Unclassified 39.8 31.9 M+NH4 C18H21NO4 -0.209009477 DIPROTIN A 342.2386196 5.207283333 44309 Unclassified Unclassified Unclassified Unclassified Unclassified 39.8 7.44 M+H C17H31N3O4 -0.332041028 Metronidazole 189.0981254 0.690983333 HMDB0015052 Organoheterocyclic compounds Azoles Imidazoles Unclassified C07203 39.7 0.0 M+NH4 C6H9N3O3 -0.533636835 3-methyl sulfolene 150.0582873 0.84375 96259 Organoheterocyclic compounds Dihydrothiophenes Unclassified Unclassified Unclassified 39.7 7.36 M+H, M+NH4 C5H8O2S 0.316786753 Nonan-2-one 143.1430661 0.9714 LMFA12000052 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 39.7 0.0 M+H C9H18O 0.171837898 Hexyl glucoside 265.16573 1.0006 HMDB0031688 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 39.7 5.28 M+H C12H24O6 4.410675668 4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone 211.1189999 1.01445 73233 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C19564 39.7 0.0 M+H, M+NH4 C9H11N3O2 -0.070142621 Syzygiol 337.1059487 1.140533333 LMPK12120417 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 39.7 16.2 M+Na C18H18O5 4.152553796 Acetylhydrazinopthalazinone 218.0923299 1.5832 3165 Unclassified Unclassified Unclassified Unclassified Unclassified 39.7 3.44 M+H C11H11N3O2 -0.336954905 2-(3'-Methylthio)propylmalic acid 223.0634994 3.67825 64493 Unclassified Unclassified Unclassified Unclassified Unclassified 39.7 0.0 M+H C8H14O5S 0.127922976 Quinoline alkaloid 316.1544493 4.619866667 65426 Alkaloids and derivatives Cinchona alkaloids Unclassified 2 C06526 39.7 0.0 M+H-H2O C18H23NO5 0.344280609 8-O-Methyloblongine 311.1882196 5.063266667 HMDB0034579 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Unclassified Unclassified 39.7 6.24 M+H-H2O C20H26NO3+ 0.728756926 Tamsulosin 426.205068 6.044966667 HMDB0014844 Benzenoids Benzene and substituted derivatives Phenethylamines Unclassified C07124 39.7 8.67 M+NH4 C20H28N2O5S -1.593719518 CDP-DG(a-17:0/i-24:0) 1118.622897 6.566216667 HMDB0116114 Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols Unclassified Unclassified 39.7 7.8 M+K C53H99N3O15P2 4.257032651 (5Z,8Z)-3-hydroxytetradecadienoylcarnitine 366.2635385 7.519116667 LMFA07070019 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Unclassified Unclassified 39.7 7.56 M+H-H2O, M+H C21H37NO5 -0.904295522 (3'-sulfo)Galbeta-Cer(d18:1/16:0(2OH)) 813.5494821 8.933466667 LMSP06020003 Lipids and lipid-like molecules Sphingolipids Acidic glycosphingolipids Unclassified Unclassified 39.7 17.2 M+NH4 C40H77NO12S -1.246110217 cis-5-Decenedioic acid 183.1015058 0.00225 HMDB0013227 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.6 0.0 M+H-H2O, M+H C10H16O4 -0.324633038 Quinalphos 299.0614337 0.0372 68785 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+H C12H15N2O3PS 0.192321866 Dihydrocaffeic acid 3-O-glucuronide 381.07903 0.663316667 HMDB0041720 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.6 5.41 M+Na C15H18O10 -0.523539737 cis,cis-Muconic acid 125.0234573 0.956916667 45919 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C02480 39.6 0.0 M+H-H2O C6H6O4 0.963604416 Bicozamycin 320.144966 1.40935 68945 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+NH4 C12H18N2O7 -0.862275171 3-Aminoquinoline 162.1025135 1.42375 4108 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+NH4 C9H8N2 -0.418772641 N,N-dimethylhistidine 184.1079504 1.783966667 44783 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 3.86 M+H-H2O, M+H C8H13N3O2 0.03581235 Diethyl oxalpropionate 220.1178497 1.817116667 HMDB0032306 Organic acids and derivatives Keto acids and derivatives Beta-keto acids and derivatives Unclassified C04067 39.6 4.56 M+NH4 C9H14O5 -0.491567739 9,10-DiHOME 337.234849 10.67678333 LMFA02000229 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.6 6.03 M+Na C18H34O4 -0.258508097 (Z)-2-Octene 130.1590674 15.18841667 HMDB0061903 Hydrocarbons Unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Unclassified Unclassified 39.6 0.0 M+NH4 C8H16 0.368537089 2-{[hydroxy(4-methoxy-1-benzofuran-5-yl)methylidene]amino}acetic acid 267.0972778 2.061383333 HMDB0129408 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.6 8.44 M+NH4 C12H11NO5 -1.084789025 p-Hydroxybenzophenone 216.1017724 3.18635 1760 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+NH4 C13H10O2 -0.670063487 Ethambutol 187.1805595 4.426716667 HMDB0014474 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified C06984 39.6 9.41 M+H-H2O C10H24N2O2 0.341445665 N-methyl-Gabapentin 186.1489619 4.4433 2992 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+H C10H19NO2 0.575614344 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 227.1501818 4.7151 HMDB0041809 Organoheterocyclic compounds Pyridines and derivatives Unclassified 2 C19574 39.6 2.71 M+NH4 C10H15N3O2 -0.33704497 Minaprine 321.1700044 4.7945 HMDB0014943 Organoheterocyclic compounds Diazines Pyridazines and derivatives Unclassified Unclassified 39.6 15.6 M+Na C17H22N4O 4.770042584 3,4,5-trihydroxy-6-[(3-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid 259.0825777 5.079183333 HMDB0128920 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.6 8.78 M+H-H2O C11H16O8 4.884150164 Hypaphorine 247.1440058 5.192583333 67522 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+H C14H18N2O2 -0.400128038 3-Nitrofluoranthene 265.0971385 5.41175 70035 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+NH4 C16H9NO2 -0.063044077 Maleic acid homopolymer 145.0494776 0.020566667 HMDB0036232 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C00922 39.5 0.0 M+H C6H8O4 -0.399527978 1,2-Diacylglycerol-LD-PI-pool 137.0709748 0.663316667 HMDB0062270 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 39.5 0.0 M+NH4 C7H5NO 0.298042481 Phenylacetic acid 154.0861764 0.690983333 HMDB0000209 Benzenoids Benzene and substituted derivatives Unclassified 2 C07086 39.5 0.0 M+NH4 C8H8O2 -0.577637018 N-Hydroxypentobarbital 260.1603077 0.7879 1765 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+NH4 C11H18N2O4 -0.722502746 Butethal 213.1232225 0.815583333 85503 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 39.5 6.77 M+H C10H16N2O3 -0.689703602 Phenylacetylglycine 194.0811327 1.028333333 4237 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05598 39.5 0.0 M+H C10H11NO3 -0.191247944 Armillaripin 432.2377297 10.6612 HMDB0030404 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 39.5 3.78 M+H, M+NH4, M+Na, M+K C24H30O6 -1.148679069 Ethyl 3-O-beta-D-glucopyranosyl-butanoate 295.13951 2.224183333 LMFA13010042 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 39.5 8.91 M+H C12H22O8 2.604127523 2,3-Methylenesuccinic acid 125.0234833 3.270766667 HMDB0059762 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.5 0.0 M+H-H2O C6H6O4 1.146872566 Vanylglycol 202.1072416 3.69525 HMDB0001490 Benzenoids Phenols Methoxyphenols 2 C05594 39.5 0.0 M+NH4 C9H12O4 -0.775643867 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline 246.1641189 4.376416667 HMDB0060672 Benzenoids Benzene and substituted derivatives Diphenylmethanes 2 C16660 39.5 0.0 M+H-H2O C19H21N 0.028466452 3-Amino-4,7-dihydroxy-8-methylcoumarin 230.0423062 4.871 64584 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+H-H2O, M+Na C10H9NO4 -0.195889585 7(S)-methoxy-tetradec-4E-enoic acid 279.1921639 4.871 LMFA01080034 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 39.5 13.7 M+Na C15H28O3 -3.518756289 Actinodaphnine 329.149457 4.9001 67600 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+NH4 C18H17NO4 -0.406802211 Valinopine 248.1128662 4.932916667 73463 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+H C10H17NO6 0.010028767 (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid 243.1338956 5.015383333 HMDB0142154 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 39.5 0.0 M+NH4 C11H15NO4 -0.168126519 Methoxsalen Metabolite 254.1022292 5.015383333 1209 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+NH4 C12H12O5 -0.295890017 Anhydrolycorinone 283.1077442 5.161166667 69392 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+NH4 C16H11NO3 0.096104526 Isoxaben 355.1682797 5.4597 72310 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+H-H2O, M+Na C18H24N2O4 0.498114133 Kynuramine 182.1288425 5.490783333 HMDB0012246 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 39.5 1.8 M+NH4 C9H12N2O 0.328655416 JUAREZIC ACID 175.0754015 5.50615 44089 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+H C11H10O2 0.261224257 Ubiquinone-1 233.1171149 5.537433333 45118 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 2 C00399 39.5 0.0 M+H-H2O C14H18O4 -0.423583915 2-Polyprenyl-6-methoxy-1,4-benzoquinone 292.1905821 5.619533333 HMDB0060354 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 2 C17560 39.5 0.0 M+NH4 C17H22O3 -0.503179282 Sarcostin 365.2321221 5.7291 71890 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+H-H2O, M+Na C21H34O6 -0.335953646 BBT(OAc)2 270.0793196 5.793616667 LMFA12000344 Lipids and lipid-like molecules Fatty Acyls Oxygenated hydrocarbons Unclassified Unclassified 39.5 8.75 M+NH4 C12H12O4S -0.538787624 Linalyl formate 165.1274017 5.9279 HMDB0030424 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 39.5 0.0 M+H-H2O C11H18O2 0.055718253 6-bromo-eicosa-5E,9Z-dienoic acid 409.1728016 7.054383333 LMFA01090098 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 39.5 61.7 M+Na C20H35BrO2 3.983850821 2-Dodecylbenzenesulfonic acid 344.2248892 8.9475 HMDB0031031 Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Unclassified Unclassified 39.5 0.938 M+NH4 C18H30O3S -1.539448017 Phytolaccinic acid 555.3094821 9.097216667 HMDB0034640 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 39.5 5.35 M+K C31H48O6 2.391353522 Ximaosteroid C 416.3152235 9.8359 LMST02030216 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 39.5 5.79 M+NH4 C26H38O3 -1.750296626 5-Hydroxymethyl-2-furancarboxaldehyde 127.0390797 0.020566667 HMDB0034355 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 3 C11101 39.4 0.0 M+H C6H6O3 0.866944545 S 26191 347.1213425 0.6217 2703 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+H C15H17F3N2O4 0.070294512 L-beta-aspartyl-L-serine 221.076691 0.67715 62017 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 39.4 0.0 M+H C7H12N2O6 -0.552165693 Glutaric acid 150.0773644 0.718683333 HMDB0000661 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives 2 C00489 39.4 0.0 M+H, M+NH4 C5H8O4 0.398956 MONOCROTALINE 343.1862763 1.378866667 44128 Organoheterocyclic compounds Pyrrolizines Unclassified Unclassified C10350 39.4 0.0 M+NH4 C16H23NO6 -0.266491828 alpha,beta-Didehydrotryptophan 220.1080196 1.5832 66511 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+NH4 C11H10N2O2 -0.165785477 Bellendine 223.1439994 1.632833333 68626 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+NH4 C12H15NO2 -0.511299234 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone 350.1233154 1.700233333 LMPK12140646 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.661 M+NH4 C17H16O7 -0.340146123 2'-Deoxymugineic acid 305.1341471 1.716933333 HMDB0033909 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 39.4 0.0 M+H C12H20N2O7 -0.59283635 Medinoterb acetate 297.1079966 1.767216667 72816 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.931 M+H C13H16N2O6 -0.39195059 N-Hydroxy-1-aminonaphthalene 177.1022206 1.783966667 HMDB0062503 Benzenoids Naphthalenes Unclassified 2 C14789 39.4 1.9 M+H, M+NH4 C10H9NO 0.041556746 LysoPC(14:1(9Z)) 488.2751342 10.17686667 HMDB0010380 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 2 C04230 39.4 1.41 M+Na C22H44NO7P 0.804025458 MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0) 396.3103567 10.43841667 HMDB0011579 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 39.4 28.4 M+NH4 C23H38O4 -1.26493625 1-Nonen-3-ol 143.1430004 2.1582 89743 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 39.4 0.0 M+H C9H18O -0.289831223 ANISOMYCIN 283.1650912 4.294566667 43970 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+NH4 C14H19NO4 -0.537257554 alpha-Hydroxy-N-desmethyltamoxifen 396.19301 4.376416667 HMDB0060668 Phenylpropanoids and polyketides Stilbenes Unclassified 2 C16549 39.4 15.6 M+Na C25H27NO2 -1.044427689 trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)-vinyl]-1,3,4-oxadiazole 295.1150023 4.856283333 72955 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+NH4 C11H11N5O4 0.263241209 N-Acetyl-D-glucosaminate 260.0740825 4.932916667 65562 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+Na C8H15NO7 0.042162629 Threoninyl-Tryptophan 323.1711076 5.161166667 HMDB0029072 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.4 10.5 M+NH4 C15H19N3O4 -0.897905586 4,4'-Diaminodiphenyl ether 218.1287439 5.427633333 70313 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+NH4 C12H12N2O -0.222897031 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid 241.1068516 5.474733333 1255 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+H C12H16O5 -0.826336768 2-Phenylethyl butanoate 193.1223533 5.50615 90374 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.4 0.0 M+H C12H16O2 0.245423251 5-(4-Hydroxy-3-methoxyphenyl)-5-phenylhydantoin 281.0919507 5.553333333 1856 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+H-H2O C16H14N2O4 -0.395849756 8-Epideoxyloganin 357.1542053 5.619533333 LMPR0102070020 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified C11648 39.4 2.55 M+H-H2O, M+NH4 C17H26O9 -0.504861079 ESTRONE HEMISUCCINATE 388.2116688 5.76095 44364 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+NH4 C22H26O5 -0.48813547 cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester 290.1748277 5.82695 70387 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 8.24 M+H C17H23NO3 -0.838124272 Nebramycin factor 5' 528.2985997 6.2338 71997 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+NH4 C19H38N6O10 -0.327747978 (3S,6E)-Nerolidol 195.1742575 6.48265 HMDB0041629 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C09704 39.4 0.0 M+H C13H22O -0.433978863 Sphinganine 1-phosphate 420.2275101 6.549566667 HMDB0001383 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids 2 C01120 39.4 2.89 M+K C18H40NO5P -0.15205326 Dihydro-5-(2-octenyl)-2(3H)-furanone 179.1429459 6.566216667 87239 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 39.4 0.0 M+H-H2O C12H20O2 -0.488249968 N-Hydroxy-2-acetamidofluorene 257.1280906 6.566216667 66087 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+NH4 C15H13NO2 -1.520510711 2-Indanone oxime 130.0651709 7.153633333 70226 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+H-H2O C9H9NO 0.307321364 5-Megastigmen-7-yne-3,9-diol 3-glucoside 388.2324459 7.3852 HMDB0032842 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.4 1.71 M+NH4, M+Na C19H30O7 -1.439442178 Hydrocortisone cypionate 469.29438 8.535433333 LMST02030121 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified C08176 39.4 13.4 M+H-H2O C29H42O6 -0.968170052 Desmethyl methotrimeprazine 5-sulfoxide 331.1472627 0.6217 1194 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 8.33 M+H, M+Na C18H22N2O2S -0.644097746 Adipic acid 164.0916746 0.67715 115 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C06104 39.3 0.0 M+NH4 C6H10O4 -0.409171493 Octanal 146.153892 0.774083333 6033 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 C01545 39.3 0.0 M+NH4 C8H16O -0.379575404 Niazirin 297.144635 1.0006 88729 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.3 0.0 M+NH4, M+Na C14H17NO5 0.490191228 Demethylphosphinothricin 184.0604267 1.01445 63600 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+NH4 C4H9NO4P -1.916763323 3'-Oxopentobarbitone 258.1447396 1.01445 1763 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+NH4 C11H16N2O4 -0.387203342 LysoPA(i-13:0/0:0) 391.185476 1.112483333 HMDB0114764 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 39.3 0.0 M+Na C16H33O7P -0.365772373 Quinoxaline-2-carboxylic acid 192.0766158 1.334433333 72418 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+NH4 C9H6N2O2 -0.787917349 9-O-Acetylneuraminic acid 310.1131034 1.4849 3320 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+H C11H19NO9 -0.498973456 SECURININE 235.1439259 1.884433333 43991 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+NH4, M+Na C13H15NO2 -0.82172317 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan 292.1903453 10.75773333 HMDB0040926 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.3 2.57 M+NH4 C17H22O3 -1.367209847 Cilostazol 387.2502499 10.96895 HMDB0015297 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified Unclassified 39.3 0.0 M+NH4 C20H27N5O2 -0.137380371 2-dodecenal 200.2007051 11.23268333 36592 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 39.3 0.0 M+NH4 C12H22O -1.019590923 Cer(d18:0/14:0) 512.5033539 13.07288333 HMDB0011759 Lipids and lipid-like molecules Sphingolipids Ceramides 1 Unclassified 39.3 2.69 M+H C32H65NO3 -0.718347182 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 251.0772178 2.256333333 HMDB0000425 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.3 5.97 M+H-H2O C9H16O9 4.005949289 Phenylglyoxylic acid 168.0654706 3.169383333 58059 Benzenoids Benzene and substituted derivatives Benzoyl derivatives 2 C02137 39.3 0.0 M+NH4 C8H6O3 -0.326351869 4-Formyl-3-(formylmethyl)-4-hexenoic acid 202.1072553 3.321083333 LMFA01030984 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.3 0.0 M+NH4 C9H12O4 -0.701093694 ACETRIAZOIC ACID 557.7543558 4.50795 43551 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+H C9H6I3NO3 -1.98954013 Hydroxypentobarbital 243.133917 4.74755 495 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+H C11H18N2O4 -0.067971561 Phenylalanyl-Glutamate 277.118306 5.063266667 HMDB0028994 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 39.3 0.0 M+H-H2O C14H18N2O5 0.076567264 Safynol 218.1175297 5.161166667 66992 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 C08458 39.3 0.0 M+NH4 C13H12O2 -0.127057734 (2E)-Piperamide-C5:1 256.1330441 5.239483333 HMDB0038834 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 39.3 0.486 M+H-H2O C16H19NO3 -0.589835447 Nigrifactin 193.1698795 5.319616667 68166 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+NH4 C12H17N -0.260121231 PA(8:0/13:0) 533.2640916 5.44365 HMDB0115484 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 39.3 0.0 M+K C24H47O8P 0.158761525 Isradipine 354.1447975 5.4597 HMDB0014415 Organoheterocyclic compounds Benzoxadiazoles Unclassified Unclassified Unclassified 39.3 0.0 M+H-H2O C19H21N3O5 -0.094294475 2alpha-Hydroxyalantolactone 266.1749369 5.490783333 87278 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 39.3 0.0 M+NH4 C15H20O3 -0.536308944 N-Acetyl-D-Glucosamine 6-Phosphate 302.0633877 5.569416667 HMDB0001062 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00357 39.3 0.0 M+H C8H16NO9P -0.519785011 Glutamylglutamic acid 299.0847494 5.619533333 HMDB0028818 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C01425 39.3 0.0 M+Na C10H16N2O7 -0.804592533 Mirtazapine 304.1212223 5.650983333 HMDB0014514 Organoheterocyclic compounds Piperazinoazepines Unclassified Unclassified C07570 39.3 4.33 M+K C17H19N3 0.62837709 22-dimethylarsinoyl-(5Z,8Z, 11Z,14Z,17Z,20Z)-docosahexaenoic acid 471.1828968 5.76095 LMFA00000029 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified Unclassified 39.3 11.0 M+Na C24H37AsO3 -4.887150241 TODRALAZINE 271.0595651 5.793616667 43492 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+K C11H12N4O2 1.643091714 2-pentyl-3-phenyloxirane-2-carboxylic acid 217.1222542 5.944716667 HMDB0133175 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.3 0.0 M+H-H2O C14H18O3 -0.22197673 3-Ethyl-1,2-cyclopentanedione 253.1432061 6.202516667 87503 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 39.3 0.0 M+H C14H20O4 -0.91021507 1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside 440.2489063 6.399633333 71817 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+NH4, M+Na, M+K C19H34O10 -0.276081338 N-palmitoleyl glutamine 365.2795523 6.416 LMFA08020218 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 39.3 2.22 M+H-H2O C21H38N2O4 -0.829730153 4'-O-Methylnorbelladine 291.1700507 6.695866667 64406 Unclassified Unclassified Unclassified 3 Unclassified 39.3 0.0 M+NH4 C16H19NO3 -0.982423153 N-lauroyl glycine 275.2326296 7.269383333 LMFA08020261 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 39.3 0.0 M+NH4 C14H27NO3 -1.126184346 2,6-Diamino-4-nitrotoluene 168.0766686 0.00225 71185 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H C7H9N3O2 -0.505120649 Caprylic acid 145.122244 0.0372 LMFA01010008 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C06423 39.2 0.0 M+H C8H16O2 -0.43151734 1400W 195.1604378 0.67715 62976 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C10H15N3 0.083136808 Threoninyl-Glutamate 249.1079251 0.704816667 HMDB0029060 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.2 0.0 M+H C9H16N2O6 -0.755869603 3''-Deamino-3''-oxonicotianamine 285.1081665 0.7464 70942 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H-H2O C12H18N2O7 0.178222199 4-Amino-2-hydroxylamino-6-nitrotoluene 184.0716441 0.76025 71191 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 5.13 M+H-H2O, M+H C7H9N3O3 -0.127651715 N-formylanthranilic acid 148.039396 0.956916667 34537 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C05653 39.2 0.0 M+H-H2O C8H7NO3 0.552438673 HC Blue No. 2 286.1395587 1.0006 73129 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H-H2O, M+H C12H19N3O5 -0.504089123 BUFEXAMAC 241.1544697 1.01445 44293 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C12H17NO3 -0.892782593 Niacinamide 140.0818071 1.070083333 HMDB0001406 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 3 C00153 39.2 0.0 M+NH4 C6H6N2O -0.256207793 3-O-Methylgallate 202.070871 1.154533333 66325 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C8H8O5 -0.694877631 2-Aminomethylpyrimidine (hydrochloride) 132.0533546 1.272816667 44990 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+Na C5H7N3 1.25292609 CGS 7181 389.1114808 1.349116667 69725 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H-H2O C20H17F3N2O4 1.790967806 Valyl-Gamma-glutamate 228.1341972 1.394083333 HMDB0029141 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.2 12.3 M+H-H2O C10H19N3O4 -0.288323011 Slaframine 181.1335124 1.4849 64439 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H-H2O, M+Na C10H18N2O2 -0.137174407 11-deoxy-PGF1a 358.2943532 10.12943333 LMFA03010068 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 39.2 7.28 M+NH4 C20H36O4 -2.444933556 Ethyl decanoate 183.1742501 11.29863333 HMDB0030998 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.2 0.0 M+H-H2O C12H24O2 -0.457940964 1-Naphthylamine 161.1071815 15.18841667 70324 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C10H9N -1.001541088 N-Ethyl trans-2-cis-6-nonadienamide 164.1432717 15.30655 LMFA08020193 Lipids and lipid-like molecules Fatty Acyls Fatty amides 2 C06551 39.2 0.0 M+H-H2O, M+NH4 C11H19NO -0.575528806 5-hydroxy-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one 238.1434722 2.174483333 HMDB0132937 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 39.2 0.0 M+NH4 C13H16O3 -1.352391823 4-Hexyl-2,5-dimethyloxazole 204.1361893 3.422833333 HMDB0037890 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 39.2 9.68 M+Na C11H19NO 1.68012743 Boschniakine 144.080737 4.064383333 68007 Organoheterocyclic compounds Pyridines and derivatives Pyridine carboxaldehydes Unclassified C09915 39.2 0.0 M+H-H2O C10H11NO -0.240694988 Amlexanox 316.1291274 4.327383333 HMDB0015160 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 39.2 0.0 M+NH4 C16H14N2O4 -0.184723803 OXOTREMORINE 207.1492869 4.491716667 44356 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C17277 39.2 0.0 M+H C12H18N2O 0.471673108 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-7-hydroxy-9-methyl- 201.1597472 4.731233333 1680 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C10H17NO2 -0.038648031 Calonectrin 368.2066497 4.8098 HMDB0034915 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 39.2 0.0 M+NH4 C19H26O6 -0.326618214 Pyrvinium 405.2163084 4.9501 HMDB0240273 Organoheterocyclic compounds Pyrroles Substituted pyrroles Unclassified C07412 39.2 10.2 M+Na C26H28N3+ -3.231571671 E-64c 332.217673 5.015383333 44982 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H-H2O, M+NH4 C15H26N2O5 -0.517156315 2-(diethylamino)-4'-hydroxy-Propiophenone 222.148874 5.144516667 2020 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H C13H19NO2 0.084687923 PI(13:0/0:0) 531.25652 5.1774 LMGP06050001 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 39.2 3.05 M+H C22H43O12P 0.05674545 cis-2-Carboxycyclohexyl-acetic acid 204.1230633 5.239483333 69806 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C9H14O4 0.15510403 11-O-Demethyl-17-O-deacetylvindoline 401.2067145 5.3049 66162 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 2.09 M+H C22H28N2O5 -0.959297959 N-(3-oxo-heptanoyl)-homoserine thiolactone 261.1231993 5.348566667 LMFA08020238 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 39.2 0.0 M+H, M+NH4 C11H17NO3S -0.839207235 N-Methylflindersine 259.1441502 5.4597 68534 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C15H15NO2 0.190732418 L-N-(1H-Indol-3-ylacetyl)aspartic acid 291.0974292 5.50615 HMDB0038666 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.2 0.0 M+H C14H14N2O5 -0.409652953 dimethyl 2-(3-oxocyclohexyl)propanedioate 229.1069584 5.650983333 88496 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H C11H16O5 -0.401778795 Bacteriocin 28b 247.1188162 5.776783333 89961 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C12H11N3O2 -0.593461874 3-hydroxyoctanoyl carnitine 304.2116246 5.810533333 HMDB0061634 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.2 0.0 M+H C15H29NO5 -0.741469343 Lactapiperanol C 283.1902995 5.944716667 HMDB0033630 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 39.2 0.0 M+H C16H26O4 -0.305695004 Haematopodin 245.0918346 6.044966667 HMDB0040734 Organoheterocyclic compounds Quinolines and derivatives Pyrroloquinolines Unclassified Unclassified 39.2 0.0 M+H, M+Na C13H12N2O3 -0.958922667 Dihydrowyerone 261.1118611 6.061516667 HMDB0030948 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.2 0.0 M+H C15H16O4 -1.054593242 L-Octanoylcarnitine 288.2167324 6.75725 HMDB0000791 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 C02838 39.2 0.0 M+H C15H29NO4 -0.705020918 N(1),N(12)-diacetylsperminium(2+) 327.2159556 6.848 HMDB0062649 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 39.2 0.0 M+K C14H32N4O2+2 0.940794169 Zwittermicin A 414.2303476 7.767266667 71057 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+NH4 C13H28N6O8 -0.857583515 9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen 386.1990282 8.381133333 HMDB0039057 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 39.2 3.1 M+H-H2O, M+NH4 C22H24O5 -1.092193915 Feruloylcholine 298.188459 8.506066667 HMDB0032800 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 39.2 0.0 M+NH4 C15H22NO4+ -0.891361384 Mycalamide B 518.2958195 8.989883333 71499 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+H C25H43NO10 -0.296720886 Levomethadyl acetate 354.2424926 9.317566667 66780 Benzenoids Benzene and substituted derivatives Diphenylmethanes 2 C08012 39.2 0.0 M+H C23H31NO2 -0.744865008 Threoninyl-Glutamine 265.1506943 9.793166667 HMDB0029059 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.2 4.05 M+NH4 C9H17N3O5 0.194815103 Dihomoavicholic acid 454.352187 9.793166667 LMST04020041 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 39.2 0.409 M+NH4 C26H44O5 -1.175898032 D8'-Merulinic acid A 413.2655542 9.850133333 HMDB0041454 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 39.2 4.35 M+Na C24H38O4 -1.732514819 10Z-Heptadecenoic acid 269.2472055 0.00225 HMDB0060038 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 Unclassified 39.1 0.0 M+H C17H32O2 -1.122897067 Betaine 100.0760705 0.020566667 HMDB0000043 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00719 39.1 0.0 M+H-H2O C5H11NO2 3.247153039 Benzamidine 138.1025518 0.593983333 65652 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C7H8N2 -0.183225156 2-Oxo-4-methylthiobutanoic acid 166.0531486 0.690983333 HMDB0001553 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C01180 39.1 2.18 M+H, M+NH4 C5H8O3S -1.498480373 Ketoleucine 148.096753 0.690983333 HMDB0000695 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 2 C00233 39.1 0.0 M+NH4 C6H10O3 -0.51307542 Melibiose 343.1233484 0.718683333 HMDB0000048 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 Unclassified 39.1 0.0 M+H C12H22O11 -0.40797869 Phlorin 289.0915788 0.73255 HMDB0035589 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.1 0.0 M+H C12H16O8 -0.746834882 Cycluron 216.2069528 0.7464 72851 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C11H22N2O -0.434405213 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 199.0713506 0.774083333 58601 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C06050 39.1 0.0 M+NH4 C8H7NO4 0.096124484 2,5-Dimethyl-4-ethoxy-3(2H)-furanone 174.1124567 0.7879 88281 Organoheterocyclic compounds Dihydrofurans Furanones Unclassified Unclassified 39.1 0.0 M+NH4 C8H12O3 -0.083840497 Methionyl-Glutamate 279.1008503 1.378866667 HMDB0028972 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.1 0.0 M+H-H2O, M+H C10H18N2O5S -0.280163 2-Propyl-2,4-pentadienoic acid 158.1175418 1.46935 71281 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16656 39.1 0.0 M+NH4 C8H12O2 -0.095601051 (R)-(Homo)3-citrate 217.0706278 1.733633333 71255 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+H-H2O C9H14O7 -0.156780572 Eicosanedioic acid 360.3103125 10.82331667 LMFA01170035 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 39.1 3.53 M+NH4 C20H38O4 -1.527070762 1-Heneicosene 312.3619838 11.568 LMFA11000315 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 39.1 2.18 M+NH4 C21H42 -1.675363447 (Z)-4-Dodecenal 197.1898576 13.04223333 HMDB0032247 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 39.1 0.0 M+H C13H24O -0.684323464 Anandamide (20:2, n-6) 352.3205759 13.07288333 LMFA08040002 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 39.1 4.53 M+H, M+Na C22H41NO2 -1.224322386 (E)-8-Hydroxy-2-octene-4,6-diynoic acid 168.065416 2.256333333 87731 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.1 0.0 M+NH4 C8H6O3 -0.690544314 2,4-Dimethyl-5-propyloxazole 162.0891376 2.305933333 HMDB0037868 Organoheterocyclic compounds Azoles Oxazoles 1 Unclassified 39.1 0.0 M+Na C8H13NO 1.458416917 Carbidopa 244.1291483 2.716533333 HMDB0014336 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C10H14N2O4 -0.151293177 3-Hydroxyphenylacetic acid 170.0810884 2.748266667 HMDB0000440 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids 3 C05593 39.1 0.0 M+NH4 C8H8O3 -0.534287471 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid 306.1446274 3.033166667 HMDB0034881 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C15H16N2O4 -0.711946112 Dopaquinone 178.0498161 3.0672 354 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00822 39.1 0.0 M+H-H2O C9H9NO4 -0.273911999 S-4-benzyl-3-isobutyryloxazolidin-2-one 265.1544722 3.644233333 65457 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C14H17NO3 -0.796037675 (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one 206.092347 3.66125 93294 Organoheterocyclic compounds Indoles and derivatives Indolines Unclassified Unclassified 39.1 0.0 M+NH4 C10H8N2O2 -0.298171166 Flutamide 299.0615159 3.814483333 553 Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes 2 C07653 39.1 0.0 M+Na C11H11F3N2O3 0.428644217 Iridotrial 183.101565 3.9669 LMPR0102070004 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C06070 39.1 0.0 M+H C10H14O3 -0.03164535 6'-Dehydro-6'-oxoparomamine 304.1499837 4.015533333 71792 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+H-H2O C12H23N3O7 -1.021885068 1-iodo-2-methylundecane 314.1344603 4.2137 HMDB0062727 Organohalogen compounds Organoiodides Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C12H25I 1.810228794 9-Hydroxyfluorene 200.1067789 4.294566667 44733 Benzenoids Fluorenes Unclassified 2 C06711 39.1 0.0 M+NH4 C13H10O -1.161871252 DESOXYPEGANINE 190.1339335 4.47545 44431 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C11H12N2 0.346079043 Veranisatin C 390.1396052 4.587983333 HMDB0031756 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 39.1 0.0 M+H, M+NH4, M+Na C16H20O10 -0.139914815 Valtrate 230.1023679 4.604216667 HMDB0034493 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C09801 39.1 0.0 M+NH4 C10H12O5 0.325066073 Enicoflavine 229.1182805 4.635566667 68033 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C10H13NO4 -0.014047798 1,1,2-Triphenylpropane 273.1638813 4.650983333 69935 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+H C21H20 0.382823058 N-Desmethyltolmetin 261.1235255 4.6987 2872 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C14H13NO3 0.64455017 Abscisic acid 265.1438318 4.74755 HMDB0036093 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 3 Unclassified 39.1 0.0 M+H C15H20O4 1.500135824 Hyoscyamine 328.1322639 4.779683333 HMDB0014568 Alkaloids and derivatives Tropane alkaloids Unclassified 2 C02046 39.1 4.18 M+K C17H23NO3 4.537921545 CAY10487 283.1288347 4.856283333 44933 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C13H15NO5 -0.050578797 4-hydroxynonenal 174.1488495 4.871 75330 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 39.1 0.0 M+NH4 C9H16O2 -0.037091869 Alpha-Pyrrolidinopropiophenone 221.1647312 4.9001 85090 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C13H17NO -0.534243029 1-Acetylindole 160.075736 4.999783333 34502 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+H C10H9NO 0.287179049 ETHYL 1-BENZYL-3-HYDROXY- 2-OXO[5H]PYRROLE-4-CARBOXYLATE 279.1339933 4.999783333 44535 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C14H15NO4 0.229037702 Rhizocticin B 433.1963782 5.047433333 63577 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+H-H2O C16H31N6O7P 1.071694964 cyclic Melatonin 248.1392477 5.3798 HMDB0060811 Organoheterocyclic compounds Indoles and derivatives Pyrroloindoles Unclassified Unclassified 39.1 3.57 M+NH4 C13H14N2O2 -0.458769303 4-NAPHTHALIMIDOBUTYRIC ACID 301.1182307 5.3798 43845 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C16H13NO4 -0.18622887 Naphthalene epoxide 160.0756557 5.3953 58364 Benzenoids Naphthalenes Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C10H6O -0.244050979 N-n-Hexanoylglycine methyl ester 170.1175016 5.44365 5799 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+H-H2O, M+H C9H17NO3 -0.286297216 T2 Triol 383.2060274 5.474733333 90690 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 39.1 0.0 M+H C20H30O7 -1.05257689 8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol 277.118171 5.521966667 46119 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 39.1 0.0 M+Na C12H18F4O -1.683060901 (Z)-3-Methyl-3-decenoic acid 202.1801037 5.537433333 87382 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.1 0.0 M+NH4 C11H20O2 -0.280902825 2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one 219.1378694 5.6028 92561 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 39.1 0.0 M+H C14H18O2 -0.398239679 (7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside 559.1557312 5.619533333 HMDB0040636 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Unclassified Unclassified Unclassified 39.1 4.85 M+K C26H32O11 -3.630750995 4-(2-Furanylmethylene)-3,4-dihydro-2H-pyrrole 130.0652464 5.635316667 HMDB0040009 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 39.1 4.03 M+H-H2O, M+NH4 C9H9NO 0.821277082 CCT018159 370.1761477 5.810533333 45356 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C20H20N2O4 0.042706891 Tuftsin 539.2706165 5.82695 HMDB0005770 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.1 9.91 M+K C21H40N8O6 0.754297694 (+)-trans-Carveol glucoside 297.169395 5.877366667 86544 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 39.1 0.0 M+H-H2O C16H26O6 -0.812491196 8-hydroxy-13Z-octadecene-9,11-diynoic acid 329.1522962 5.978083333 LMFA02000199 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 39.1 5.6 M+K C18H26O3 3.251219631 4-Hydroxypropranolol 293.1858583 6.044966667 2171 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C16H21NO3 -0.402605324 GlcCer(d18:0/16:0) 724.5683336 6.107866667 LMSP0501AA04 Lipids and lipid-like molecules Sphingolipids Neutral glycosphingolipids Unclassified Unclassified 39.1 0.598 M+Na C40H79NO8 -2.074743642 2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate 251.1024204 6.18665 66796 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C12H11NO4 -0.913900604 (-)-Menthol 174.185164 6.249683333 LMPR0102090001 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C00400 39.1 0.0 M+NH4 C10H20O -0.491469443 4-iodo-SAHA 408.0777316 6.549566667 64756 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C14H19IN2O3 -0.3446854 PAF C-16 546.353025 7.004516667 34488 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+Na C26H54NO7P 0.02785499 Cassaidine 430.2946874 7.502433333 67104 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+H-H2O, M+Na C24H41NO4 -1.875008042 alpha-Cortolone 349.2370678 7.618366667 LMST02030227 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05481 39.1 0.0 M+H-H2O C21H34O5 -0.732075305 N-linoleoyl dopamine 433.34186 8.282466667 LMFA08020270 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 39.1 1.73 M+NH4 C26H41NO3 -1.468154877 Latanoprost Lactol 324.2164678 8.87645 63040 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C18H26O4 -1.525286459 2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine 373.0417007 8.975683333 63907 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C7H11N5O8P2 -1.156196639 PA(10:0/8:0) 470.2874146 9.25525 HMDB0114778 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 39.1 0.0 M+NH4 C21H41O8P -0.698336577 Sphinganine-phosphate 420.2274834 9.270916667 LMSP01050002 Lipids and lipid-like molecules Sphingolipids Sphingoid bases 2 C01120 39.1 0.0 M+K C18H40NO5P -0.222168563 Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) 358.2585363 9.750433333 763 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+NH4 C19H32O5 -0.77410606 3-(3'-Methylthio)propylmalic acid 223.0634394 0.0372 64494 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H C8H14O5S -0.142176506 D-Serine 128.0318771 0.070583333 63419 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00740 39.0 0.0 M+Na C3H7NO3 0.602810846 Phosphocreatine 212.0404821 0.635583333 326 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C02305 39.0 0.0 M+H-H2O, M+H C4H10N3O5P 0.777943846 Methylphosphate 113.0001012 0.718683333 HMDB0061711 Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Unclassified Unclassified 39.0 0.0 M+H CH5O4P 2.495944661 Isopyridoxal 168.065466 0.73255 63863 Organoheterocyclic compounds Pyridines and derivatives Pyridine carboxaldehydes 2 C06051 39.0 0.0 M+H C8H9NO3 -0.32085609 cis-4-octenedioic acid 190.1072738 0.73255 LMFA01170078 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.0 0.0 M+NH4 C8H12O4 -0.642879382 N-Desmethylaminopyrine 256.0814023 0.7464 HMDB0013839 Organoheterocyclic compounds Azoles Pyrazoles Unclassified Unclassified 39.0 1.43 M+NH4, M+K C12H15N3O -0.24009137 Ecgonine methyl ester 217.1545475 0.774083333 HMDB0006406 Alkaloids and derivatives Tropane alkaloids Unclassified 2 C12448 39.0 0.0 M+NH4, M+K C10H17NO3 -0.61003044 4-Guanidinobutanal 130.0975438 0.7879 63476 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H C5H11N3O 0.429146596 Gamma-glutamyl-Proline 244.1290143 0.7879 86049 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H-H2O, M+H C10H17N3O4 -0.716290664 2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one 289.0852672 0.7879 88767 Benzenoids Naphthalenes Phenylnaphthalenes Unclassified Unclassified 39.0 0.0 M+H-H2O C19H14O4 -2.134814379 N-Cyclopropylammelide 151.0615937 0.84375 69836 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H-H2O C6H8N4O2 0.930951269 Methyl(2-furoylamino)acetic acid 201.0869975 1.0006 5824 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C8H9NO4 0.077629529 Clavamycin D 316.1500327 1.0006 71638 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H C13H21N3O6 -0.885867848 3-Hydroxymonoethylglycinexylidide 240.1704712 1.21445 HMDB0060678 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C16572 39.0 0.0 M+NH4, M+Na C12H18N2O2 -0.820031948 3-Hydroxy-2-methylpyridine-5-carboxylate 154.049751 1.2294 63870 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H C7H7NO3 -0.774340343 3,4-Dihydroxyphenylglycol 188.0916943 1.378866667 HMDB0000318 Benzenoids Phenols Benzenediols 2 C05576 39.0 0.0 M+NH4 C8H10O4 -0.2354684 Argyrolobine 280.2018473 1.43835 68551 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C15H22N2O2 -0.404938397 Cholic Acid Methyl Ester 440.3367022 10.12943333 73574 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C25H42O5 -0.823582181 Trospium 410.2571909 10.22548333 HMDB0014354 Benzenoids Benzene and substituted derivatives Diphenylmethanes Unclassified Unclassified 39.0 18.1 M+NH4 C25H30NO3+ 2.030899845 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside 647.2704493 10.31675 HMDB0036400 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 39.0 0.0 M+H-H2O C33H44O14 0.950645068 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine 303.0707015 1.998066667 HMDB0006211 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C04640 39.0 0.0 M+NH4 C6H12N3O8P 2.3681547 5-Acetamidovalerate 160.0967323 2.322666667 62836 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C03087 39.0 0.0 M+H C7H13NO3 -0.5494212 BENDIOCARB 241.1180701 2.4209 44456 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C11H13NO4 -0.956269045 Tyr-OEt 192.1017954 3.0672 65601 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H-H2O C11H15NO3 -0.524699533 Lenacil 252.1703922 3.135316667 68909 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C13H18N2O2 -1.115276949 Methyl 2-undecynoate 179.1429883 3.304183333 LMFA07010946 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.0 0.0 M+H-H2O C12H20O2 -0.271687205 Laurencione diacetate 218.1021748 3.321083333 65391 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C9H12O5 -0.620618179 2-Succinylbenzoate 240.0861608 3.354933333 63982 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C11H10O5 -2.198472481 N-Acetyldemethylphosphinothricin tripeptide 368.1448427 3.541966667 63601 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C12H21N3O7P -1.98363252 cis-6-Nitro-p-mentha-1(7),2-diene 199.1440508 3.610116667 90515 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 39.0 0.0 M+NH4 C10H15NO2 -0.295202792 PC(0:0/4:0)[U] 350.1343785 4.163 40356 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+Na C12H26NO7P 1.433542279 Pinacidil 302.1384339 4.294566667 69663 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+K C13H21N5O 2.528891625 Psoralen 204.0655506 4.376416667 HMDB0034272 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins 3 C09305 39.0 0.0 M+NH4 C11H6O3 0.166917116 Neopterin 254.0880247 4.587983333 HMDB0000845 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives 2 C05926 39.0 0.0 M+H C9H11N5O4 -1.405043453 11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one 377.1895341 4.666383333 70811 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+K C20H31FO3 1.930509506 2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propylamino)ethyl]- 252.1686352 4.6987 2371 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H, M+NH4 C13H18N2O2 -1.060372171 dihydrophaseic acid 4-O-beta-D-glucoside 462.2331311 4.74755 LMPR0103050006 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 39.0 0.0 M+NH4, M+Na, M+H C21H32O10 -0.543930983 MAM-2201 356.1812638 4.841016667 85211 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H-H2O C25H24FNO 0.963043069 PYROGALLIN 222.0761008 4.9501 43912 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C11H8O4 0.080795915 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 383.1922792 4.983366667 HMDB0033237 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.0 0.0 M+H C16H30O10 2.892874897 N-Acetyl-leucyl-leucine 309.1806343 5.063266667 68998 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H-H2O, M+Na C14H26N2O4 -0.285616962 Crotamiton 221.1648963 5.079183333 HMDB0014410 Benzenoids Benzene and substituted derivatives Anilides Unclassified Unclassified 39.0 0.0 M+NH4 C13H17NO 0.278491154 Novobiocic acid 413.1703971 5.079183333 64595 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C22H21NO6 -0.799239681 Isophenoxazine 213.0658338 5.1277 63547 Organoheterocyclic compounds Benzoxazines Phenoxazines 2 C02161 39.0 0.0 M+H C12H8N2O2 -0.094883909 Ac-Tyr-OEt 252.1230478 5.1277 44264 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H C13H17NO4 0.053109379 Glycerol tripropanoate 283.1154666 5.427633333 88776 Lipids and lipid-like molecules Glycerolipids Triradylcglycerols 1 Unclassified 39.0 0.0 M+Na C12H20O6 0.990135902 Norbelladine 277.1544686 5.650983333 64405 Unclassified Unclassified Unclassified 3 Unclassified 39.0 0.0 M+NH4 C15H17NO3 -0.773261397 Geranylacetone 195.1743047 5.713466667 HMDB0031846 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C13297 39.0 0.0 M+H C13H22O -0.191032482 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone 380.1337603 5.810533333 LMPK12140637 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.99 M+NH4 C18H18O8 -0.642694729 4-Heptyloxybenzoic acid 219.1378357 5.994866667 69931 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H-H2O, M+NH4 C14H20O3 -0.510312998 Methyl reserpate 415.2224299 6.154283333 2254 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H C23H30N2O5 -0.769286786 Dimetacrine tartrate 445.232831 6.266266667 69516 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H, M+Na C24H32N2O6 -1.085385798 p-Hydroxyphenylbutazone 325.1545822 6.53305 1840 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H C19H20N2O3 -0.267617979 Dodecylphosphocholine 374.2433671 6.582466667 34530 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+Na C17H38NO4P 0.85704078 Musaroside 582.3279222 6.772616667 67239 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+NH4 C30H44O10 1.150222844 PC(O-11:1(10E)/2:0) 474.2595402 6.9078 LMGP01020146 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 39.0 0.893 M+Na C21H42NO7P 0.953284932 Abruquinone C 394.1491957 7.054383333 LMPK12080056 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 39.0 0.923 M+NH4 C19H20O8 -1.189512168 Vanillin 3-(L-menthoxy)propane-1,2-diol acetal 347.2217146 7.585266667 88525 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 39.0 0.0 M+H-H2O, M+H C21H32O5 0.078849165 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline 272.1500812 7.738483333 2460 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+H-H2O C14H19N5O2 -1.748085589 Tetracosahexaenoic acid, n-3 395.2416847 8.891216667 HMDB0060117 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.0 0.0 M+H-H2O, M+K C24H36O2 -1.243383382 Hydroxyhydroquinone 144.0654718 0.00225 506 Benzenoids Phenols Benzenetriols and derivatives 2 C02814 38.9 0.0 M+NH4 C6H6O3 -0.378906844 (R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one 164.0340887 0.00225 92826 Organoheterocyclic compounds Benzoxazines Benzoxazinones Unclassified Unclassified 38.9 0.0 M+H-H2O C8H7NO4 -0.722160739 Trans-Hexa-dec-2-enoic acid 255.2315629 0.00225 HMDB0010735 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 Unclassified 38.9 0.0 M+H C16H30O2 -1.155519487 Deoxyhypusine 200.1757467 0.635583333 62002 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.9 0.0 M+H-H2O C10H23N3O2 0.036708466 Doxylamine 309.1374713 0.64945 HMDB0001936 Benzenoids Benzene and substituted derivatives Benzylethers Unclassified Unclassified 38.9 9.78 M+K C17H22N2O 4.07087879 3-Hydroxypropenoate 106.050178 0.663316667 69288 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C3H4O3 3.505040646 3-Hydroxyisoheptanoic acid 164.1281228 0.663316667 6547 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 38.9 0.0 M+NH4, M+Na C7H14O3 0.020551572 Tuliposide A 296.1338014 0.67715 67065 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C11H18O8 -0.689246098 Phenylethylmalonamide (PEMA) 224.1392488 0.774083333 2084 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C11H14N2O2 -0.5067702 Aspirin 198.0760472 0.7879 HMDB0001879 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C01405 38.9 0.0 M+NH4 C9H8O4 -0.205791892 DIBOA 182.0448783 1.056116667 64531 Organoheterocyclic compounds Benzoxazines Benzoxazinones Unclassified C15770 38.9 0.0 M+H C8H7NO4 0.52004275 (S)-Oleuropeic acid 202.1437483 1.070083333 91982 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.9 0.0 M+NH4 C10H16O3 -0.117074316 Hydrocinnamic acid 168.1018895 1.098383333 HMDB0000764 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified 2 C05629 38.9 0.0 M+NH4 C9H10O2 -0.103924647 Brunfelsamidine 132.0534329 1.154533333 68140 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+Na C5H7N3 1.971436167 NSC 210902 240.0653062 1.21445 45322 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H C14H9NO3 -0.892554346 Eseridine 274.1552369 1.21445 67489 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H-H2O, M+H C15H21N3O3 0.80230977 Tropine 159.1491323 1.303766667 1164 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C8H15NO -0.406556486 Methyl 4-oxo-2-pentenoate 146.0811423 1.378866667 265043 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C6H8O3 -0.21359534 R-Soterenol 306.1478949 1.500583333 69207 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C12H20N2O4S -1.071534591 4-ene-Valproic acid 160.1331977 1.516783333 HMDB0013897 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16648 38.9 0.0 M+NH4 C8H14O2 -0.052775122 3-Oxododecanoic acid glycerides 328.1863921 1.817116667 94394 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+Na C15H29O6- 2.482783102 Carboxy-PTIO 279.1338176 1.850866667 64876 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H C14H18N2O4 -0.416536543 PG(22:4(7Z,10Z,13Z,16Z)/0:0) 583.3003588 10.17686667 80005 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 38.9 0.0 M+Na C28H49O9P -0.502713385 Enol-phenylpyruvate 147.0439674 11.16815 6098 Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives 2 C02763 38.9 0.0 M+H-H2O, M+H C9H8O3 -0.539473095 L-Palmitoylcarnitine 400.3415085 11.51946667 HMDB0000222 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 C02990 38.9 0.0 M+H C23H45NO4 -1.569739718 2-Fluorobenzoate 178.99057 11.95813333 65752 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+K C7H5FO2 0.388116041 3-Fluorocatechol 166.9905935 13.99901667 71213 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+K C6H5FO2 0.607523416 2'-N-Acetylparomamine 348.1760811 2.142083333 71791 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H-H2O C14H27N3O8 -1.219990512 Robustine 233.0920148 2.1582 68536 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C12H9NO3 -0.250367461 4-(2,4-dihydroxy-5-methoxyphenyl)but-3-en-2-one 226.1071921 2.4209 HMDB0133459 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.9 1.87 M+NH4 C11H12O4 -0.9242587 Tryptophyl-Serine 292.1290147 2.620233333 85985 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.9 0.0 M+H C14H17N3O4 -0.576132358 Lysyl-Tryptophan 333.1917704 2.620233333 85864 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.9 0.0 M+H C17H24N4O3 -1.043685814 5-Hydroxyindoleacetaldehyde 176.0705457 3.456883333 58202 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles 2 C05634 38.9 0.0 M+H C10H9NO2 -0.338747893 7-Hexadecenoic acid, methyl ester 269.2472677 3.490866667 HMDB0061858 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.9 0.0 M+H C17H32O2 -0.890846072 Norepinephrine 187.1077061 4.246316667 HMDB0000216 Benzenoids Phenols Benzenediols 3 C00547 38.9 0.0 M+NH4 C8H11NO3 -0.074822109 Dinobuton 344.1452192 4.459283333 72497 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C14H18N2O7 -0.022140345 Rhizocticin A 334.1284462 4.540083333 63578 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H-H2O C11H22N5O6P 2.746562694 BUTACAINE 345.1946607 4.587983333 44369 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+K C18H30N2O2 2.52897355 GARCINOLIC ACID 647.3244602 4.682216667 43950 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 13.2 M+H, M+Na C38H46O9 4.642759273 4-Hydroxybenzoic acid 121.028684 4.6987 HMDB0000500 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 C00156 38.9 0.0 M+H-H2O C7H6O3 2.015114209 Pilocarpic acid 244.1655432 4.7151 1937 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C11H18N2O3 -0.109489362 5,6,7,8-Tetrahydro-4-methylquinoline 165.1386504 4.779683333 HMDB0029709 Organoheterocyclic compounds Quinolines and derivatives Hydroquinolines Unclassified Unclassified 38.9 0.0 M+NH4 C10H13N 0.173034059 N-Carbobenzoxyglycylproline 307.1286961 4.825566667 65625 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H-H2O, M+Na, M+H C15H18N2O5 -0.465068822 Nicotine glucuronide 321.1445796 4.9501 HMDB0001272 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.9 0.0 M+H-H2O C16H22N2O6 0.240808485 p-Hydroxymethylphenidate 267.1701649 4.966716667 1228 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C14H19NO3 -0.618455071 1-Oxo-1H-2-benzopyran-3-carboxaldehyde 192.0654931 5.0956 87072 Phenylpropanoids and polyketides Isocoumarins and derivatives Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C10H6O3 -0.152314008 Physovenine 245.1285479 5.272583333 67539 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H-H2O C14H18N2O3 0.357329488 Armillaric acid 434.2168945 5.288616667 92019 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.9 0.0 M+NH4 C23H28O7 -1.043483485 Atherospermidine 323.1023433 5.33425 67620 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C18H11NO4 -0.950714504 L-Arginine phosphate 237.0755696 5.348566667 63475 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05945 38.9 0.0 M+H-H2O C6H15N4O5P 3.351991721 2-Hydroxyfelbamate 255.0973939 5.427633333 2655 Lipids and lipid-like molecules Glycerolipids Unclassified 2 C16582 38.9 0.0 M+H C11H14N2O5 -0.606465005 N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid 268.1654424 5.4597 HMDB0139613 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 3 Unclassified 38.9 0.0 M+NH4 C13H18N2O3 -0.501863612 (3Z,6Z)-3,6-Nonadienal 121.1013809 5.474733333 HMDB0031152 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C16323 38.9 0.0 M+H-H2O C9H14O 1.478018088 (+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene 218.1174741 5.521966667 66725 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C13H12O2 -0.405100775 Dipropyl hexanedioate 231.1590085 5.521966667 95986 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.9 0.0 M+H, M+NH4 C12H22O4 -0.335000847 1,3-Dihydroxy-N-methylacridone 259.1076238 5.586183333 64463 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C14H11NO3 -0.393904479 Zolazepam 304.1576808 5.76095 43373 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C15H15FN4O 3.02655057 Deoxystreptomycin 583.3041472 5.793616667 2505 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C21H39N7O11 -0.766772023 Aspidoalbine 446.265278 5.910883333 67373 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C24H32N2O5 0.771369116 12-oxo-10,11-dihydro-20-COOH-LTB4 349.2006911 6.202516667 HMDB0012549 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.9 0.0 M+H-H2O C20H30O6 -0.708156844 CAY10492 339.1336201 6.266266667 44967 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+K C17H22N3O2 -2.464898824 N-Ethylglycocyamine 230.0992893 6.29965 65849 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+Na C8H17NO5 -2.916513801 7-Hydroxycadalene 232.1693709 6.383283333 265069 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+NH4 C15H18O -1.026412463 (Z)-3-Methyl-4-decenoic acid 202.1799704 6.566216667 87383 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.9 0.0 M+NH4 C11H20O2 -1.004883085 N-Acetylprimaquine 302.1863653 6.566216667 2079 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H C17H23N3O2 0.205341656 Anacrotine 334.1646755 6.59905 68212 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H-H2O C18H25NO6 -0.637084915 HQL-79 360.2175402 6.742183333 45384 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H-H2O C22H27N5O -1.940693594 3-hydroxynonanoyl carnitine 300.2166615 7.13705 HMDB0061635 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.9 0.0 M+H-H2O C16H31NO5 -0.861722133 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid 375.2161662 7.25285 HMDB0011651 Lipids and lipid-like molecules Steroids and steroid derivatives Oxosteroids 1 Unclassified 38.9 0.0 M+H C22H30O5 -1.160582212 1,2-Dihydronaphthalene-1,2-diol 180.1017674 7.30255 HMDB0060335 Benzenoids Naphthalenes Unclassified 2 C06205 38.9 0.0 M+NH4 C10H10O2 -0.849628598 1,3,12-Trihydroxycholan-24-oic acid 409.2948138 7.368583333 HMDB0000371 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 38.9 0.0 M+H C24H40O5 -0.090561458 Linalyl anthranilate 274.1799272 7.552183333 HMDB0030433 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.9 0.0 M+H C17H23NO2 -0.835547897 Morphiceptin 522.2727379 7.8755 58312 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.9 11.7 M+H C28H35N5O5 3.150430655 Tridecanoylglycine 289.2481922 8.03795 HMDB0013317 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.9 0.0 M+NH4 C15H29NO3 -1.390338385 Emedastine 325.2003647 8.47655 HMDB0015216 Organoheterocyclic compounds Benzimidazoles Unclassified Unclassified C07785 38.9 0.0 M+Na C17H26N4O 1.596825032 3-(3,4-dimethyl-5-pentylfuran-2-yl)-propanoic acid 239.1638448 8.656916667 LMFA01150023 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.9 0.0 M+H C14H22O3 -1.369522778 Taccagenin 469.2943383 8.961616667 HMDB0034189 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones 1 Unclassified 38.9 4.78 M+H-H2O, M+Na C27H42O5 -1.445685679 3,4-dimethyl-5-carboxyethyl-2-furanpentanoic acid 286.1657607 8.975683333 LMFA01150055 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.9 12.2 M+NH4 C14H20O5 3.212661792 1,2-Dihexanoyl-sn-glycerol 271.1899459 9.548733333 45140 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+H-H2O C15H28O5 -1.526107756 3-amino-propanal 113.0235809 0.0372 HMDB0062210 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.8 0.0 M+K C3H8NO+ -2.241810664 N-Nitrosodiethanolamine 157.0582669 0.0372 72996 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+Na C4H10N2O3 -0.715586212 Urea phosphate salt 141.0063986 0.538583333 95059 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O CH7N2O5P 2.714524 Dihydroxyacetone phosphate 171.0054669 0.580133333 HMDB0001473 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00111 38.8 0.0 M+H C3H7O6P 0.975750225 6-Amino-9H-purine-9-propanoic acid 225.1093884 0.67715 HMDB0029939 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 38.8 0.0 M+NH4 C8H9N5O2 -0.297827579 1-Hydroxyhexane-1,2,6-tricarboxylate 252.107738 0.67715 71256 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C9H14O7 -0.172246091 Aminoadipic acid 144.0655146 0.718683333 HMDB0000510 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00956 38.8 0.0 M+H-H2O C6H11NO4 -0.031157888 Isobutyrylglycine methyl ester 160.0967607 0.718683333 5649 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H C7H13NO3 -0.370778329 2-Nitrofuran 131.0451843 0.73255 70043 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C4H3NO3 0.582213172 4-Nitroanisole 154.0498266 0.7464 66679 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H C7H7NO3 -0.280126868 Methylimidazoleacetic acid 158.0923629 0.7464 HMDB0002820 Organoheterocyclic compounds Azoles Imidazoles 2 C05828 38.8 0.0 M+NH4 C6H8N2O2 -0.286208641 (S)-2-Aceto-2-hydroxybutanoic acid 147.065165 0.774083333 58590 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 2 C06006 38.8 0.0 M+H C6H10O4 -0.138272353 DL-3,4-Dihydroxyphenyl glycol 188.091657 0.7879 3788 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C8H10O4 -0.454717981 Streptidine 6-phosphate 360.1403177 0.7879 64559 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C8H19N6O7P 3.532861313 1-Methyl-4-nitroimidazole 128.0454678 1.0006 HMDB0060659 Organoheterocyclic compounds Azoles Imidazoles 2 C16621 38.8 0.0 M+H C4H5N3O2 0.117818402 (2E,4E)-5-carboxypenta-2,4-dienoate 160.0604484 1.0006 HMDB0062704 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.8 0.0 M+NH4 C6H6O4 0.100082909 Mugineic acid 303.1187824 1.0006 70948 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O, M+H C12H20N2O8 0.328231131 Triacetin 236.1128374 1.01445 HMDB0029592 Lipids and lipid-like molecules Glycerolipids Triradylcglycerols 1 Unclassified 38.8 0.994 M+NH4 C9H14O6 -0.120794627 Chloramphenicol alcohol 288.1187604 1.028333333 638 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C11H14N2O6 -0.93037972 3-Dehydroquinic acid 191.0549384 1.084133333 3327 Organic acids and derivatives Hydroxy acids and derivatives Alpha hydroxy acids and derivatives 2 C00944 38.8 0.0 M+H C7H10O6 -0.400199672 2-Isopropyl-3-oxosuccinate 192.0865516 1.21445 HMDB0012149 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 2 C04236 38.8 0.0 M+NH4 C7H10O5 -0.559264246 Ammonium benzoate 157.0971394 1.2294 89228 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C7H9NO2 -0.10536831 4-Oxocyclohexanecarboxylate 160.0967303 1.2878 66041 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C7H10O3 -0.629535688 5-Ureido-4-imidazole carboxylate 153.0406924 1.394083333 63403 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O C5H6N4O3 -0.055463179 Arginyl-Serine 284.1336264 1.394083333 HMDB0028718 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.8 0.0 M+Na C9H19N5O4 2.686857328 4-Hydroxymethyl-3-methoxyphenoxyacetic acid 230.1021744 1.4849 44721 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C10H12O5 -0.587430735 3,4,5-trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid 334.1130636 1.649716667 HMDB0128037 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.8 0.0 M+NH4, M+Na C13H16O9 -0.61387882 Thiamine aldehyde 263.0960159 1.900533333 63856 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H C12H14N4OS -0.353242784 Ammodendrine 247.121428 10.56758333 68134 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+K C12H20N2O 3.394734343 9,10-dihydroxy-Octadecanedioic acid 364.2688042 10.56758333 74916 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C18H34O6 -1.617651044 PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 888.5191347 10.58235 LMGP03010479 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 38.8 0.845 M+K C47H80NO10P 4.699181508 (-)-Nopol 167.1429432 10.6921 HMDB0030002 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.8 0.0 M+H C11H18O -0.59227687 3b-Allotetrahydrocortisol 384.2738498 10.80675 HMDB0000314 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 38.8 0.0 M+NH4 C21H34O5 -1.637925514 5Z-Dodecenoic acid 181.1585275 11.3302 HMDB0000529 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.8 0.0 M+H-H2O C12H22O2 -0.828687324 1-Nitronaphthalene-7,8-oxide 190.0497102 12.13366667 HMDB0060332 Benzenoids Naphthalenes Nitronaphthalenes 2 C14802 38.8 0.0 M+H C10H7NO3 -0.842526143 3-hydroxyhexadecanoyl carnitine 398.3261297 12.3984 HMDB0061642 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 Unclassified 38.8 0.0 M+H-H2O C23H45NO5 -0.85623926 Norfloxacin 337.1667956 13.65276667 HMDB0015192 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified 2 C06687 38.8 0.0 M+NH4 C16H18FN3O3 -0.782270771 Thiobenzamide S-oxide 136.0215162 14.50033333 71172 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O C7H7NOS -0.198875302 (+/-)-2,4,8-Trimethyl-7-nonen-2-ol 185.1899666 2.142083333 HMDB0032543 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.8 0.0 M+H C12H24O -0.137200062 2-Methyl-4-propyloxazole 143.1178589 2.356016667 92659 Organoheterocyclic compounds Azoles Oxazoles 1 Unclassified 38.8 0.0 M+NH4 C7H11NO -0.244405006 3,4-Methyleneadipic acid 171.064929 2.6036 HMDB0059756 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.8 0.0 M+H C8H10O4 -1.506527006 Ethyl-imidazole carboxylate 158.0923649 2.865033333 2646 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C6H8N2O2 -0.272003326 1-(3-Methyl-2-butenoyl)-6-apiosylglucose 395.1558334 2.865033333 94494 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.8 0.0 M+H C16H26O11 2.652064692 L-Aspartate-semialdehyde 118.0500862 3.0672 HMDB0012249 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00441 38.8 0.0 M+H C4H7NO3 1.851656821 Istamycin AO 320.1811675 3.439833333 71978 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O C13H27N3O7 -1.318276369 Clarycet 218.1749643 3.610116667 91207 Organoheterocyclic compounds Oxanes Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C11H20O3 -0.528156251 trans-9-palmitoleic acid 255.2316216 3.8656 34744 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C08362 38.8 0.0 M+H C16H30O2 -0.924428624 p-Nitroglutethimide 263.102606 4.376416667 948 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H C13H14N2O4 -0.104258312 Haplopine 263.1026381 4.50795 68502 Organoheterocyclic compounds Quinolines and derivatives Furanoquinolines Unclassified C10676 38.8 0.0 M+NH4 C13H11NO4 0.019315982 PC(7:0/0:0) 387.2267321 4.50795 LMGP01050064 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 38.8 1.53 M+NH4, M+K, M+H-H2O C15H32NO7P 3.43336503 6-Methyl-2-methylene-6-octene-1,3,8-triol 204.1594755 4.571483333 93347 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.8 0.0 M+NH4 C10H18O3 0.298415334 6-methoxy-3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol 242.1387071 4.587983333 HMDB0124919 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.8 0.0 M+NH4 C12H16O4 0.100915207 Heliotrine 331.222618 4.619866667 68246 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C16H27NO5 -0.416771748 2,4,6-Trimethylacetophenone imine 179.1542882 4.635566667 517 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C11H15N 0.081675439 Shihunine 221.1284683 4.666383333 68430 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H, M+NH4 C12H13NO2 -0.184598402 Acremoauxin A 341.1705903 4.8098 67000 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C16H21NO6 -0.379595291 p-Hydroxyphenobarbital 249.0869051 4.825566667 HMDB0060537 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 38.8 0.0 M+H C12H12N2O4 -0.315358653 Prunin 435.1284523 4.825566667 LMPK12140237 Lipids and lipid-like molecules Polyketides Flavonoids 3 Unclassified 38.8 0.0 M+H C21H22O10 -0.278717818 N-Feruloylglycine 269.1131203 4.856283333 65789 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C12H13NO5 -0.309823264 Genomorphine 319.1649625 4.885333333 HMDB0029382 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Unclassified Unclassified 38.8 3.38 M+NH4 C17H19NO4 -0.900238195 (2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid 216.1230645 4.9001 HMDB0034099 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.8 0.0 M+NH4 C10H14O4 0.151863603 Flazine methyl ether 305.0920754 4.932916667 89288 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O C18H14N2O4 0.0208787 N-Acetyltranexamic acid 217.1546914 4.9501 2894 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C10H17NO3 0.112894383 Lupinine 187.1805794 4.999783333 43880 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C10H19NO 0.529982947 2-Amino-2-Norbornanecarboxylic acid 173.1285163 5.015383333 44702 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C8H13NO2 0.400150663 L-Phenylalanine n-butyl ester 239.1753533 5.031616667 3539 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C13H19NO2 -0.230901061 N-(3-hydroxy-dodecanoyl)-homoserine lactone 300.2167693 5.031616667 LMFA08030013 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.8 0.0 M+H C16H29NO4 -0.553146237 2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid 232.1543593 5.079183333 96295 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C11H18O4 0.115489377 Geranyl 3-methylbutanoate 277.156247 5.079183333 HMDB0029350 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.8 0.0 M+K C15H26O2 -0.802374227 3-Oxodecanoic acid glycerides 300.155366 5.0956 94393 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O, M+Na C13H25O6- -4.365358921 Leucodopachrome 178.0499176 5.144516667 58201 Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives 2 C05604 38.8 0.0 M+H-H2O C9H9NO4 0.246671916 Vanillic acid 169.0494715 5.192583333 HMDB0000484 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 C06672 38.8 0.0 M+H C8H8O4 -0.378651172 Anisatin 346.1495919 5.192583333 67580 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4, M+Na, M+K C15H20O8 -0.156043254 CGP72383 511.2694052 5.192583333 85289 Benzenoids Benzene and substituted derivatives Anilides Unclassified Unclassified 38.8 0.0 M+H C29H32N7O2- 0.745631549 deschlorobenzoyl Indomethacin 237.1232988 5.239483333 829 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C12H13NO3 -0.319598079 Diphenylcarbazide 265.1050412 5.239483333 68930 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+Na C13H14N4O -3.884785611 Deoxy-5-methylcytidylate 339.1072516 5.288616667 65987 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C10H16N3O7P 2.614969909 1-Stearoylglycerophosphoinositol 601.3341874 5.3049 HMDB0061696 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols 1 Unclassified 38.8 0.0 M+H C27H53O12P -0.920840269 CAY10594 411.2190077 5.427633333 45492 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O, M+Na C26H28N4O2 2.498249716 3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridine 273.123706 5.490783333 69363 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C15H13NO3 1.321755173 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] 301.1181617 5.537433333 44306 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H, M+Na C16H16N2O4 -0.405526916 10-Hydroxydesmethylnortriptyline glucuronide 459.2119801 5.537433333 1612 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C24H27NO7 -1.354748431 Methyl 2-octynoate 172.1331006 5.7291 HMDB0031302 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.8 0.0 M+NH4 C9H14O2 -0.678855945 (2E,6E)-2,6-Nonadienal 121.1013704 5.793616667 87534 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.8 0.0 M+H-H2O C9H14O 1.401607113 2-decene-4,6,8-triyn-1-al 160.0756384 5.894166667 LMFA06000063 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Unclassified Unclassified 38.8 0.0 M+NH4 C10H6O -0.365667165 Tryptophyl-Tryptophan 391.1757984 5.9279 HMDB0029094 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.8 0.0 M+H C22H22N4O3 -1.713773138 (2S)-Liquiritigenin 274.1071322 5.978083333 HMDB0029519 Phenylpropanoids and polyketides Flavonoids Flavans 3 C09762 38.8 0.0 M+NH4 C15H12O4 -0.984730268 Methyl (E)-2-dodecenoate 195.1742574 6.044966667 87359 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.8 0.0 M+H-H2O C13H24O2 -0.397365699 PA(0:0/18:2(9Z,12Z)) 457.2317986 6.0926 LMGP10050044 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 2 C00416 38.8 0.0 M+Na C21H39O7P -1.755491904 beta-Zearalanol 340.2118137 6.18665 70307 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C18H26O5 -0.110857603 Idebenone Metabolite (QS-10) 335.1849716 6.202516667 758 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O, M+Na C19H28O6 -0.933614064 1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol 257.1381251 6.249683333 87929 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 38.8 0.0 M+H C13H20O5 -0.878592254 Scorpioidin 294.1698288 6.249683333 67795 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C16H20O4 -0.564273016 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone 611.3433099 6.332866667 HMDB0038564 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 38.8 1.38 M+K C33H52N2O6 -4.167835638 PE(P-16:0/0:0) 460.2800864 6.34955 46719 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 38.8 0.0 M+Na C21H44NO6P 0.551133051 2,3-dinor-8-iso-PGF2a 344.2427637 6.366616667 36202 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C18H30O5 -1.183035564 17-O-Acetylajmaline 386.2434876 6.432616667 71120 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C22H28N2O3 -0.898083716 Prostaglandin E2 serinol amide 408.2737827 6.465933333 45399 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+H-H2O C23H39NO6 -1.568468354 1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one 202.1435825 6.742183333 64049 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+NH4 C10H16O3 -1.017755834 desmethylastemizole 462.2671388 6.818416667 HMDB0061013 Organoheterocyclic compounds Benzimidazoles Unclassified Unclassified Unclassified 38.8 1.86 M+NH4 C27H29FN4O 1.741205734 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide 281.174626 6.92295 HMDB0036979 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.8 0.0 M+H C16H24O4 -0.391402213 Tyramine 120.0809438 7.0212 HMDB0000306 Benzenoids Benzene and substituted derivatives Phenethylamines 3 C00483 38.8 0.0 M+H-H2O C8H11NO 1.226264738 Musabalbisiane C 591.2405389 7.2199 HMDB0038682 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.8 3.53 M+Na C28H40O12 -1.158805166 (3xi,5Z)-1,5-Octadien-3-ol 144.1382108 7.811833333 87319 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.8 0.0 M+NH4 C8H14O -0.633137022 (+/-)14,15-DiHETrE 339.2527625 7.8755 LMFA03050010 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14775 38.8 0.0 M+H C20H34O4 -0.660897457 3b,7a,12a-Trihydroxy-5a-Cholanoic acid 431.2765642 8.521183333 HMDB0000376 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 38.8 0.0 M+Na C24H40O5 -0.565349169 2,6-Diisopropyl-3-methylphenol 210.1850264 8.656916667 HMDB0029820 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.8 0.0 M+NH4 C13H20O -1.115689496 PE(20:3(5Z,8Z,11Z)/20:0) 836.554237 8.733933333 HMDB0009328 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 38.8 7.79 M+K C45H84NO8P -2.979404054 3-Methyl-alpha-ionyl acetate 251.2002243 9.548733333 HMDB0037631 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.8 0.0 M+H C16H26O2 -1.327854974 1,25-Dihydroxyvitamin D3-26,23-lactone 427.2842299 9.722166667 58013 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 38.8 0.0 M+H-H2O C27H40O5 -0.126550244 4-Hydroxybenzaldehyde 123.0440954 0.053916667 62451 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C00633 38.7 0.0 M+H C7H6O2 0.323639438 Cyclic 2,3-bisphospho-D-glycerate 230.9458628 0.053916667 66351 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H-H2O C3H6O9P2 1.798959903 5-Hydroxylysine 163.1076103 0.607833333 HMDB0000450 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C16741 38.7 0.0 M+H C6H14N2O3 -0.668837267 D-Erythrose 4-phosphate 218.0425407 0.635583333 HMDB0001321 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00279 38.7 0.0 M+NH4 C4H9O7P 0.629732871 3-Hydroxykynurenamine 198.123691 0.64945 63548 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C05636 38.7 0.0 M+NH4 C9H12N2O2 -0.06769995 2-Hydroxy-3-methylbutyric acid 136.0968858 0.663316667 HMDB0000407 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 Unclassified 38.7 0.0 M+NH4 C5H10O3 0.560186019 Triethylene Glycol Monomethyl Ether 165.1128547 0.663316667 HMDB0062666 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 38.7 6.88 M+H C7H16O4 4.382758295 1H-Imidazole-1-acetic acid 144.0767635 0.67715 HMDB0029736 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.7 0.0 M+NH4 C5H6N2O2 0.083773286 6-Deoxy-5-ketofructose 1-phosphate 260.05284 0.67715 63568 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C6H11O8P -0.576090483 Dihydro-4,4-dimethyl-2,3-furandione 129.0547032 0.704816667 44746 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C6H8O3 0.645287825 Salicylhydroxamic acid 171.0763 0.704816667 69005 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C7H7NO3 -0.774935304 Ectoine 143.0815142 0.718683333 43384 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C06231 38.7 0.0 M+H C6H10N2O2 0.071456237 Guvacoline 159.1127471 0.7464 71368 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C7H11NO2 -0.404469675 N-Nitrosopiperidine 132.1131854 0.774083333 73002 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C5H10N2O 0.411624887 2-Maleylacetate 176.0553032 0.85775 HMDB0060348 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 2 C02222 38.7 0.0 M+NH4 C6H6O5 -0.288510142 Pyrimidine-4-Carboxylic Acid (sodium salt) 142.0610757 0.91435 45027 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C5H4N2O2 -0.219253787 2,7-Anhydro-alpha-N-acetylneuraminic acid 274.0919204 1.0006 66198 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H-H2O C11H17NO8 -0.71388463 N2-Galacturonyl-L-lysine 305.1341364 1.01445 88996 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.7 0.0 M+H-H2O C12H22N2O8 -0.592826618 Kasugamycin 362.1553964 1.01445 71964 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H-H2O C14H25N3O9 -1.041090774 5-Hydroxytryptophol 195.112826 1.334433333 HMDB0001855 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles 1 Unclassified 38.7 0.0 M+H, M+NH4 C10H11NO2 -0.06541192 Osmundalin 308.1334554 1.43835 87571 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.7 0.0 M+NH4 C12H18O8 -1.853233889 Varenicline 250.0743961 1.500583333 HMDB0015398 Organoheterocyclic compounds Benzazepines Unclassified Unclassified Unclassified 38.7 0.0 M+K C13H13N3 1.376262852 Etiracetam 188.1393518 1.5667 85076 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C07841 38.7 0.0 M+NH4 C8H14N2O2 -0.008160476 (1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol 204.1594114 1.632833333 HMDB0041545 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.7 0.0 M+NH4 C10H18O3 -0.046024011 Terephthalic acid 184.0604752 1.716933333 6676 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C06337 38.7 0.0 M+NH4 C8H6O4 0.247153923 Imidazol-5-yl-pyruvate 155.0450659 1.733633333 63492 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C6H6N2O3 -0.341461132 Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- 256.117809 1.733633333 1685 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C12H14O5 -0.588311262 ARECOLINE 173.1284677 1.817116667 43570 Alkaloids and derivatives Unclassified Unclassified Unclassified C10129 38.7 0.0 M+NH4 C8H13NO2 0.087358029 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one 263.2365874 10.006 89972 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.7 0.0 M+H C18H30O -1.35241936 Myxalamid A 398.3045804 10.006 69329 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.168 M+H-H2O, M+H C26H41NO3 -1.867445707 4-Oxoretinal 299.2002463 10.30253333 HMDB0012794 Lipids and lipid-like molecules Prenol lipids Retinoids 1 Unclassified 38.7 0.0 M+H C20H26O2 -1.040127133 4-Epiisoinuviscolide 249.1483833 10.72515 HMDB0031378 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.7 0.0 M+H-H2O, M+H C15H20O3 -0.921000257 Thymol methyl ether 165.1273107 10.74158333 91174 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.7 0.0 M+H C11H16O -0.493009169 11'-Carboxy-alpha-chromanol 436.3416686 11.1524 HMDB0012515 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.7 0.0 M+NH4 C26H42O4 -1.115863251 Methyl tetradecanoate 225.2209979 11.6173 LMFA07010467 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.7 0.0 M+H-H2O C15H30O2 -1.213853608 Guggulsterone 343.2266318 11.7411 58133 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 38.7 0.0 M+H C22H30O3 -0.407636459 Arachidonic acid 322.2736457 11.81706667 HMDB0001043 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C00219 38.7 0.0 M+NH4 C20H32O2 -1.347872654 N-Methyl-2-oxoglutaramate 198.0170468 11.95813333 66012 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+K C6H9NO4 4.595834566 Albuterol (Salbutamol-4'-O-sulfate) 337.1431682 12.79705 800 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C13H21NO6S 1.204091788 Acarbose (component 1) 321.1651658 2.013966667 769 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C13H21NO7 -1.523237042 Fluphenazine enanthate 550.2713663 2.0934 66772 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 10.5 M+H C29H38F3N3O2S 0.740497251 Retronecine 173.1284321 2.356016667 64442 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C8H13NO2 -0.142218376 DL-Glyceraldehyde 2-Phosphate 171.0055465 2.4209 103468 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C3H7O6P 1.444303174 DPTA NONOate 230.1019598 2.437616667 62980 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+K C6H17N5O2 3.018301656 Norecasantalic acid 198.148835 2.520666667 HMDB0036817 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.7 0.0 M+NH4 C11H16O2 -0.112688143 4-Methyl-2-propyloxazole 143.1178543 2.716533333 HMDB0037854 Organoheterocyclic compounds Azoles Oxazoles 1 Unclassified 38.7 0.0 M+NH4 C7H11NO -0.281781831 2-(Ethylsulfonylmethyl)phenyl methylcarbamate 258.0793289 2.982433333 94813 Benzenoids Benzene and substituted derivatives Phenyl methylcarbamates Unclassified Unclassified 38.7 0.0 M+H C11H15NO4S -0.491983595 N-D-Glucosylarylamine 273.1440264 3.152333333 65913 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C12H17NO5 -1.849499344 Citrusin D 360.1650563 3.321083333 93916 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.7 0.0 M+NH4 C16H22O8 -0.692271038 Pyridoxine (Vitamin B6) 170.081083 3.473866667 2202 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C8H11NO3 -0.51242192 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-6,7,8,9-tetrahydro-2-methyl- 210.1600323 3.84855 2352 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C11H16N2O -0.293664335 d-Dethiobiotin 215.1390025 4.34365 3351 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C01909 38.7 0.0 M+H C10H18N2O3 -0.076524916 Imazapyr 262.1186324 4.393 72626 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C13H15N3O3 0.055965847 2-Isopropyl-3-methoxypyrazine 170.1288536 4.604216667 94856 Organoheterocyclic compounds Diazines Pyrazines 1 Unclassified 38.7 0.0 M+NH4 C8H12N2O 0.427872063 3'-Hydroxyhexobarbital 253.1182091 4.825566667 HMDB0013940 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 38.7 0.0 M+H C12H16N2O4 -0.294671696 Swietenidin B 223.1077195 4.841016667 68541 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C11H11NO3 0.003661091 Maculine 261.0868471 4.841016667 68520 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C13H9NO4 -0.560563495 2-Carboxybenzaldehyde 151.0388899 4.9001 65893 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C8H6O3 -0.537159739 5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid 218.1386968 4.916283333 HMDB0030989 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 38.7 0.0 M+NH4 C10H16O4 0.061122924 Metoprolol acid 285.1808314 4.932916667 1254 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C14H21NO4 -0.195645026 N-Desmethylselegiline 191.1543511 4.983366667 2402 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C12H15N 0.439671918 Puromycin 489.2552483 4.983366667 64568 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C22H29N7O5 -3.383369764 Eriojaposide A 520.2767599 5.079183333 92803 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.7 0.0 M+NH4 C24H38O11 3.031172212 N-Tritylaziridine 303.1862424 5.1277 3309 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C21H19N 2.340033913 Cimifugin 324.1443349 5.1277 67340 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C16H18O6 0.558899124 Alfuzosin 407.2388536 5.161166667 858 Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Unclassified Unclassified 38.7 0.0 M+NH4 C19H27N5O4 -3.279121826 Mefenamic acid Metabolite (Benzoic acid, 3-[(2-carboxyphenyl)amino]-2-methyl-) 289.1181322 5.192583333 1100 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C15H13NO4 -0.557770133 Tecostanine 201.1961885 5.2563 68068 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C11H21NO 0.265643697 FRAXIDIN METHYL ETHER 237.075813 5.2563 43772 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C12H12O5 0.267060487 Dioncophylline C 386.1723468 5.348566667 69437 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+Na C23H25NO3 -0.874366935 Vulgarole 230.1749723 5.4597 HMDB0035085 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.7 0.0 M+NH4 C12H20O3 -0.460899884 Colnelenic acid 310.2374222 5.50615 46569 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16320 38.7 0.0 M+NH4 C18H28O3 -0.848987889 BENFLUOREX 334.142539 5.586183333 44234 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H-H2O C19H20F3NO2 3.456387385 Scriptaid 327.133756 5.619533333 64766 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C18H18N2O4 -0.544276373 Fortimicin KH 387.2015224 5.650983333 71972 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+K C15H32N4O5 3.142175251 Neocnidilide 212.1644363 5.66695 HMDB0034450 Organoheterocyclic compounds Isobenzofurans Unclassified 3 C17002 38.7 0.0 M+NH4 C12H18O2 -0.355898414 Propantheline 391.2110743 5.877366667 HMDB0014920 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified C07506 38.7 0.0 M+Na C23H30NO3+ -1.94237384 EUPATORIOCHROMENE 236.1280226 5.944716667 43992 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C13H14O3 -0.44568203 BOLDINE 345.1804907 5.961266667 43941 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C19H21NO4 -1.201320634 Rosmaricine 328.1904371 6.011633333 HMDB0041446 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.7 0.0 M+H-H2O C20H27NO4 -0.819862489 WIN I(S) 374.2432727 6.107866667 66419 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C21H28N2O3 -1.531627068 3,4-Dihydroxy-3,4-dihydro-9-fluorenone 232.0965836 6.1705 66726 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C13H10O3 -1.102997482 (R)-1-O-b-D-glucopyranosyl-1,3-octanediol 291.1799709 6.1705 HMDB0029362 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.7 0.0 M+H-H2O C14H28O7 -0.792173287 Phenethyl tiglate 205.1221947 6.29965 HMDB0037628 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.7 0.0 M+H C13H16O2 -0.545961736 simvastatin hydroxy acid 475.24703 6.332866667 HMDB0061047 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 38.7 3.6 M+K C25H40O6 3.169779544 Perilloside A 297.1687269 6.383283333 HMDB0038706 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.7 0.0 M+H-H2O, M+Na C16H26O6 -2.939064781 PC(7:0/8:0)[U] 496.3025604 6.6307 39975 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H C23H46NO8P -1.655728276 6-(2-carboxy-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 329.0508312 6.772616667 HMDB0125158 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.7 0.0 M+H-H2O C13H14O11 1.468650629 Cyclopassifloic acid B 559.340434 6.878166667 HMDB0038388 Lipids and lipid-like molecules Steroids and steroid derivatives Cycloartanols and derivatives 1 Unclassified 38.7 6.54 M+K C31H52O6 1.703709113 Triethylenemelamine 222.1461404 7.285966667 66702 Organoheterocyclic compounds Triazines 1,3,5-triazines Unclassified C08737 38.7 0.0 M+NH4 C9H12N6 -0.14471267 Methyldopexamine 353.2580503 7.31915 2391 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H-H2O C23H34N2O2 -1.863046071 Dolichosterone 463.3412723 7.335566667 89857 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 38.7 0.0 M+H-H2O, M+H C28H46O5 -0.380419465 N-linolenoyl dopamine 431.3257102 7.502433333 LMFA08020271 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.7 5.69 M+NH4 C26H39NO3 -2.684357442 4-(4-Hydroxyphenyl)-2-butanone 182.1174827 7.650933333 HMDB0033723 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 3 Unclassified 38.7 0.0 M+NH4 C10H12O2 -0.441771541 LPA(18:2(9Z,12Z)/0:0) 457.2332496 7.924783333 59312 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 38.7 0.0 M+Na C21H39O7P 1.585998629 10-Hydroxymyoporone 267.1587706 8.216633333 HMDB0035210 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.7 0.0 M+H C15H22O4 -1.183595562 Sunitinib 416.2458859 8.34725 HMDB0015397 Organoheterocyclic compounds Indoles and derivatives Indolines Unclassified Unclassified 38.7 1.03 M+NH4 C22H27FN4O2 0.642924851 6-(5-ethyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 331.1018713 8.364 HMDB0128028 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.7 0.0 M+H C14H18O9 -1.476253661 (Diphenylmethoxy)acetic acid 260.127851 8.414266667 2319 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4 C15H14O3 -1.110381377 O-Arachidonoyl Glycidol 343.2627791 8.535433333 44872 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H-H2O C23H36O3 -1.048173611 Abscisic acid glucose ester 449.1776646 8.719533333 64113 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+NH4, M+Na C21H30O9 -0.688449611 1-Methyl-4-(1-methyl-2-propenyl)-benzene 175.1479854 9.14445 HMDB0061824 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.7 0.0 M+H C13H18 -0.812989984 Menthone 1,2-glyceryl ketal 229.1796199 9.14445 91295 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.7 0.0 M+H C13H24O3 -0.881439491 O-Desmethylverapamil 423.2632739 9.2073 3012 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+H-H2O C26H36N2O4 -2.147548995 (+/-)-N,N-Dimethyl menthyl succinamide 186.2214919 9.270916667 HMDB0032236 Hydrocarbons Unsaturated hydrocarbons Branched unsaturated hydrocarbons Unclassified Unclassified 38.7 0.0 M+NH4 C12H24 -0.799045449 Pentadecanal 244.2632064 9.43295 HMDB0031078 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 C01948 38.7 0.0 M+NH4 C15H30O -1.258537822 Methyl jasmonate 225.1482419 9.598433333 3361 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C11512 38.7 0.0 M+H C13H20O3 -1.244956044 (2E)-hexenedioylcarnitine 305.1693618 9.63115 LMFA07070013 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 38.7 12.2 M+NH4 C13H21NO6 -4.705433267 Pentadecan-2-one 244.2632171 9.64625 LMFA12000056 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.7 0.0 M+NH4 C15H30O -1.211265897 20, 22-Dihydrodigoxigenin 410.2895296 9.864783333 HMDB0060730 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 38.7 0.0 M+NH4 C23H36O5 -1.453483547 1,17-Diamino-4,9,13-triazaheptadecane 312.2528038 9.880183333 94062 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 38.7 0.0 M+K C14H35N5 1.461909178 Persicaxanthin 385.2732667 9.880183333 HMDB0034952 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.7 0.0 M+H C25H36O3 -1.183468242 (S)-2-Acetolactate 115.0391809 0.020566667 HMDB0006855 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 2 C06010 38.6 0.0 M+H-H2O C5H8O4 1.593872018 (3Z,6Z)-3,6-Nonadien-1-ol 123.1169692 0.020566667 HMDB0030957 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.6 0.0 M+H-H2O C9H16O 1.015589834 Allyl tiglate 141.0909373 0.0372 LMFA07010779 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.6 0.0 M+H C8H12O2 -0.490931255 2,6-Nonadien-1-ol 141.1273093 0.0372 HMDB0031262 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.6 0.0 M+H C9H16O -0.587439115 Oleic acid 283.2628775 0.0372 HMDB0000207 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C00712 38.6 0.0 M+H C18H34O2 -0.989290863 Ureidoglycine 156.0377097 0.566283333 63387 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+Na C3H7N3O3 -1.894921615 4-Hydroxy-1H-indole-3-acetonitrile 190.097414 0.6217 93150 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles Unclassified Unclassified 38.6 0.0 M+NH4 C10H8N2O -0.432701505 Piperazine phosphate 220.105486 0.635583333 69496 Organoheterocyclic compounds Diazinanes Piperazines Unclassified C07973 38.6 0.0 M+H-H2O, M+NH4 C4H15N2O5P 0.625619118 Nitrilacarb 236.0794131 0.635583333 72714 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+K C9H15N3O2 -0.871035529 D-Glutamine 169.0583483 0.663316667 63630 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00819 38.6 0.0 M+Na C5H10N2O3 -0.099932863 AMPA 204.0977255 0.663316667 69625 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C7H10N2O4 -0.843178514 Serylthreonine 189.086884 0.67715 HMDB0029049 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M+H-H2O, M+H C7H14N2O5 -0.481757958 Bis (2-hydroxypropyl) amine 172.0715696 0.718683333 44741 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H, M+K C6H15NO2 0.074698194 D-Xylitol 153.0756516 0.718683333 HMDB0002917 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C00379 38.6 0.0 M+H C5H12O5 -0.646805865 dimethyl (R)-pyrrolidine-1,2-dicarboxylate 205.1181714 0.7464 265049 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C8H13NO4 -0.598817869 2-nonenoylglycine 231.170147 0.7464 HMDB0094807 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M+NH4 C11H19NO3 -0.806863733 Quindoxin 180.0766972 0.76025 88831 Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Unclassified Unclassified 38.6 0.0 M+NH4 C8H6N2O2 -0.343893748 D-Manno-2-heptulose 421.1561647 0.7879 86600 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H-H2O, M+H C14H28O14 2.172835178 Histidinyl-Valine 237.1346065 1.0006 HMDB0028898 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 38.6 0.0 M+H-H2O C11H18N4O3 0.016765942 Leu-Gly-Pro 286.1759719 1.0006 65659 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H, M+Na C13H23N3O4 -0.563874919 Aminomuconic acid 140.0342206 1.01445 6440 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H-H2O, M+H C6H7NO4 0.0070988 3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione 185.0920326 1.056116667 90275 Organoheterocyclic compounds Isoindoles and derivatives Isoindolines 1 Unclassified 38.6 0.0 M+NH4 C8H9NO3 -0.215835126 (+)-2,7-Dideoxypancratistatin 311.123545 1.056116667 69398 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C14H15NO6 -0.743004883 3-Methoxyanthranilate 185.0919848 1.199516667 HMDB0060374 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C05831 38.6 0.0 M+NH4 C8H9NO3 -0.502251915 3-Oxoglutaric acid 129.0183422 1.21445 HMDB0013701 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 3 Unclassified 38.6 0.0 M+H-H2O C5H6O5 0.733884087 Aprobarbital 228.1341153 1.21445 66747 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07826 38.6 0.0 M+NH4 C10H14N2O3 -0.725857784 PIRACETAM 160.1079454 1.2878 44173 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C6H10N2O2 -0.757994081 Dulcin 181.0971136 1.46935 73118 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.6 0.0 M+H C9H12N2O2 -0.224527144 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid 272.1127875 1.516783333 HMDB0128669 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C12H14O6 -0.299883443 L-Glutamate 5-semialdehyde 132.0656269 1.700233333 63469 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01165 38.6 0.0 M+H C5H9NO3 0.818510923 L-Tyrosine n-butyl ester 238.1434819 1.96585 3540 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H C13H19NO3 -1.214676431 Sotalol 290.1529654 1.96585 2474 Benzenoids Benzene and substituted derivatives Sulfanilides Unclassified C07309 38.6 0.0 M+NH4 C12H20N2O3S -1.189248607 9-Acetoxyfukinanolide 275.163836 10.16061667 90114 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.6 0.0 M+H-H2O, M+NH4 C17H24O4 -1.1466213 5alpha-Dihydrodeoxycorticosterone 333.2420598 10.33101667 HMDB0060407 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C18040 38.6 0.0 M+H C21H32O3 -1.088215933 Docosahexaenoyl Glycine 403.294837 10.53591667 62993 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C24H35NO3 -1.771613192 (+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol 186.1851102 10.6921 88287 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.6 0.0 M+NH4 C11H20O -0.776806654 PA(12:0/15:1(9Z)) 599.368334 11.1524 LMGP10010046 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 38.6 0.0 M+Na C30H57O8P 0.013698817 alpha-Tocopherol acetate 511.35285 11.23268333 HMDB0034227 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.6 0.0 M+K C31H52O3 -4.135602672 MG(18:1(11Z)/0:0/0:0) 374.325987 11.51946667 HMDB0011566 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 3 Unclassified 38.6 0.0 M+NH4 C21H40O4 -1.398459867 Ginsenoyne K 277.1795644 11.86308333 LMFA05000664 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.6 0.0 M+H C17H24O3 -0.929299787 O-palmitoylcarnitine 382.330974 12.2442 LMFA07070098 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 38.6 0.0 M+H-H2O C23H45NO4 -1.494226351 15S-HETrE 340.2842003 12.68573333 LMFA03050007 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 38.6 0.0 M+NH4 C20H34O3 -1.303927418 Cer(d18:0/16:0) 540.5345031 13.75783333 LMSP02020001 Lipids and lipid-like molecules Sphingolipids Ceramides 1 Unclassified 38.6 0.0 M+H C34H69NO3 -0.960799841 (R)-Piperazine-2-carboxamide 130.097522 14.44198333 73352 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H C5H11N3O 0.260187139 (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate 244.9974346 15.95038333 LMPR01010009 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C11811 38.6 0.0 M+H-H2O C5H12O8P2 -0.067617042 Methocarbamol 259.1286314 2.125966667 43251 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 38.6 0.0 M+NH4 C11H15NO5 -0.89897525 5-Amino-4-imidazole carboxylate 128.0453465 2.142083333 63404 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H C4H5N3O2 -0.837351037 (S)-Ureidoglycolic acid 172.9962016 2.174483333 5935 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00603 38.6 0.0 M+K C3H6N2O4 2.140377129 Ethyl 2-methyl-3,4-pentadienoate 158.1174549 2.191183333 92163 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.6 0.0 M+NH4 C8H12O2 -0.715367743 Ruspolinone 267.1700685 2.437616667 68172 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C14H19NO3 -1.005379401 4-methylthiazole-5-acetic-acid 158.0270004 2.487916667 1877 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H C6H7NO2S -0.162585694 Agaritinal 248.1028055 2.487916667 95169 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M+H-H2O C12H15N3O4 -0.612010961 3-nonenoylglycine 231.1701098 2.797416667 HMDB0094808 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M+NH4 C11H19NO3 -0.981505691 Methionyl-Asparagine 264.1010947 3.118266667 HMDB0028968 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.668 M+H C9H17N3O4S -0.603477332 Citronellyl anthranilate 314.1527476 3.152333333 HMDB0032208 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.6 0.0 M+K C17H25NO2 3.853750847 Syringic acid 216.0865509 3.304183333 HMDB0002085 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 C10833 38.6 0.0 M+NH4 C9H10O5 -0.495308916 7-Ethoxyresorufin 259.1074742 3.473866667 69607 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C14H11NO3 -1.01456328 1-(2-Furanylmethyl)-1H-pyrrole 130.0652089 4.064383333 HMDB0030204 Organoheterocyclic compounds Pyrroles Substituted pyrroles Unclassified Unclassified 38.6 0.0 M+H-H2O C9H9NO 0.566051797 2-Hydroxyadenine 152.0566858 4.163 5392 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 38.6 0.0 M+H C5H5N5O -0.00281622 Xylobiose 265.0916541 4.2137 65624 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01630 38.6 0.0 M+H-H2O C10H18O9 -0.495412582 Terbumeton 208.1556982 4.376416667 72539 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H-H2O C10H19N5O 0.116207251 2,6-Dihydroxypseudooxynicotine 228.1343392 4.393 63883 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C10H14N2O3 0.339563974 Pentadecylic acid(d3) 284.2067307 4.4433 45753 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+K C15H27D3O2 0.661273422 PC(O-2:0/O-2:0) 336.1554302 4.4433 40241 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+Na C12H28NO6P 2.507501389 Lophophorine 253.1546065 4.459283333 67815 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C13H17NO3 -0.265477621 Methyl N-butyrylglycine 160.0968902 4.47545 5654 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H C7H13NO3 0.442862701 Methyldopate 257.1497609 4.540083333 43257 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified C07194 38.6 0.0 M+NH4 C12H17NO4 0.741691986 1-Naphthaldehyde 174.0915186 4.587983333 HMDB0060325 Benzenoids Naphthalenes Unclassified Unclassified C14090 38.6 0.0 M+NH4 C11H8O 1.141855537 1,2-Dihydroxy-3-keto-5-methylthiopentene 163.0423324 4.604216667 HMDB0012134 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C15606 38.6 0.0 M+H C6H10O3S -0.056991276 3-Hydroxy-N-glycyl-2,6-xylidine (3-Hydroxyglycinexylidide) 212.1393401 4.619866667 1003 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C10H14N2O2 -0.067494685 Stavudine 225.0868756 4.731233333 2495 Nucleosides, nucleotides, and analogues Nucleoside and nucleotide analogues Unclassified Unclassified C07312 38.6 0.0 M+H C10H12N2O4 -0.480585309 1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone 259.1177202 4.731233333 88506 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 38.6 0.0 M+H C12H18O6 0.408815689 (1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid 292.1291235 4.74755 90453 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C14H14N2O4 -0.215001178 Tomenin 407.0941898 4.74755 HMDB0033900 Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Unclassified Unclassified 38.6 0.0 M+Na C17H20O10 -1.764524292 Diamorphine (heroin) 387.1911473 4.841016667 1987 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C21H23NO5 -0.815578337 Gentianine 176.0706215 4.856283333 3576 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H C10H9NO2 0.094654053 O-Acetyl Salicylhydroxamic Acid 178.0498985 4.856283333 63046 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H-H2O C9H9NO4 0.148337254 4-PIOL 207.0526332 4.871 69651 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+K C8H12N2O2 -2.394432247 PC(7:0/0:0)[U] 392.1815113 4.885333333 40331 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+Na C15H32NO7P 1.765000337 Aesculetin 196.0605504 4.916283333 HMDB0030819 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins 3 C09263 38.6 0.0 M+NH4 C9H6O4 0.652511487 3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside 329.1602774 5.047433333 HMDB0039385 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.6 0.0 M+H C16H24O7 2.431319833 1-Methyl-L-tryptophan 257.0686906 5.063266667 44695 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+K C12H14N2O2 0.022271107 p-Hydroxymeperidine 281.1859233 5.063266667 1131 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C15H21NO3 -0.173855493 APGPR Enterostatin 479.2717877 5.0956 HMDB0006117 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 11.7 M+H-H2O C21H36N8O6 -1.42059692 N-hexanoyl-L-Homoserine lactone 217.1546833 5.111566667 45094 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C10H17NO3 0.072164769 Ramiprilat diketopiperazine 371.1962349 5.1774 2248 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H C21H26N2O4 -0.80718411 EPA 181.133487 5.192583333 69063 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C06428 38.6 0.0 M+NH4 C10H13NO -0.322577064 Oxadixyl 261.1233085 5.192583333 72526 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H-H2O C14H18N2O4 -0.21692305 8-Hydroxycarteolol 291.1705221 5.223183333 HMDB0060990 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified Unclassified 38.6 4.31 M+H-H2O C16H24N2O4 0.65889575 PC(3:0/2:0)[U] 378.1297512 5.223183333 39948 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+Na C13H26NO8P 2.610448198 Phosphocholine 207.0652168 5.239483333 HMDB0001565 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts 3 C00588 38.6 0.0 M+NH4, M+Na C5H15NO4P -1.647040059 2-Hydroxy-8-methylchromene-2-carboxylate 224.0917084 5.2563 69784 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C11H10O4 -0.125621879 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one 299.1028533 5.272583333 70542 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C16H11NO4 0.782579609 Isonicotinamide, 2-propyl- 182.1288218 5.348566667 2182 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C9H12N2O 0.202777895 N-[(diphenylmethoxy)acetyl]-Glycine 317.1503087 5.490783333 2320 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C17H17NO4 2.424346373 Benzyl Benzoate 230.1174658 5.553333333 HMDB0014814 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 1 C12537 38.6 0.0 M+NH4 C14H12O2 -0.421417227 Scutigeral 390.2633545 5.619533333 HMDB0030012 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.6 0.0 M+NH4 C23H32O4 -1.425261421 Prenyl benzoate 208.1331317 5.697833333 HMDB0032488 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C03885 38.6 0.0 M+NH4 C12H14O2 -0.386931883 Quinidine-10,11-dihydrodiol 376.2233002 5.776783333 2226 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H, M+NH4 C20H26N2O4 1.007248693 Erlotinib 394.1759864 5.810533333 64753 Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Unclassified Unclassified 38.6 0.0 M+H C22H23N3O4 -0.371929628 Epothilone A 511.283891 5.877366667 LMPK04000040 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides Unclassified C12153 38.6 16.1 M+NH4 C26H39NO6S 0.52000264 Methyl 4,8-decadienoate 200.1644769 5.910883333 90153 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.6 0.0 M+NH4 C11H18O2 -0.156069957 Phenylbutyrylglutamine 315.1341152 5.944716667 62425 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M+H, M+Na C15H20N2O4 -1.214927098 CAY10583 370.1785745 5.961266667 45347 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H-H2O C25H25NO3 -4.0831253 Trimetazidine 284.1967054 5.994866667 85225 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C14H22N2O3 -0.611322436 Acrifoline 279.2065361 6.0283 67964 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C16H23NO2 -0.644725344 Apodine 384.1916035 6.0283 67369 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C21H22N2O4 -0.489477347 3'-Methoxy-[6]-Gingerdiol 3,5-diacetate 395.2421776 6.0283 95054 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.6 0.0 M+H C22H34O6 -1.61728667 PC(O-2:0/2:0) 345.1785356 6.3162 40147 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 38.6 0.0 M+NH4 C12H26NO7P 0.064935105 (3R,7R)-1,3,7-Octanetriol 163.1327575 6.332866667 89425 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.6 0.0 M+H C8H18O3 -0.699164073 Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate 415.2224329 6.34955 HMDB0031977 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.6 14.4 M+Na C26H32O3 -4.92741894 Prodiamine 389.0832103 6.366616667 72645 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+K C13H17F3N4O4 -0.392700421 Estradiol 290.2110405 6.53305 HMDB0000151 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 2 C00951 38.6 0.0 M+NH4 C18H24O2 -1.524866577 Diethylphosphate 155.0465386 6.59905 62856 Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Unclassified C06608 38.6 0.0 M+H C4H11O4P -1.514821239 Avenanthramide 1p 301.117979 6.695866667 86153 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.6 0.0 M+NH4 C16H13NO4 -1.075527841 1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione 277.1431337 6.788383333 64193 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+H C16H20O4 -1.092995211 Armillasin 373.2005506 6.803616667 93395 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.6 0.0 M+H C22H28O5 -1.074289369 (Z)-6-Nonenal 123.1169395 7.054383333 87316 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.6 0.0 M+H-H2O C9H16O 0.8034787 (+)-Elaeocarpine 275.1752438 7.070766667 68412 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C16H19NO2 -0.624329192 Pterostilbene 274.14344 7.781466667 LMPK13090015 Lipids and lipid-like molecules Polyketides Aromatic polyketides 3 C10287 38.6 0.0 M+NH4 C16H16O3 -1.288302351 LysoPE(0:0/18:4(6Z,9Z,12Z,15Z)) 496.243779 7.843266667 62268 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 38.6 0.0 M+Na C23H40NO7P 0.674116592 8,9-DiHETrE 339.2526261 8.103666667 HMDB0002311 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14773 38.6 0.0 M+H C20H34O4 -1.063943801 Pyrido[3,4-c]psoralen 255.0760753 8.249916667 73199 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+NH4 C14H7NO3 -1.448133195 1-docosanoyl-glycero-3-phosphate 517.3271833 8.249916667 HMDB0062314 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 38.6 0.0 M+Na C25H51O7P 1.460571846 15R-PGE2 methyl ester, 15-acetate 426.2840626 9.081183333 45956 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 38.6 0.0 M+NH4 C23H36O6 -2.331429147 Kinetensin 4-7 594.2764848 9.28655 HMDB0012986 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M+Na C26H37N9O6 1.022483304 LysoPA(20:3(8Z,11Z,14Z)/0:0) 443.256946 9.5153 HMDB0114759 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 38.6 0.0 M+H-H2O C23H41O7P 2.702793746 L-Fucose 147.0651987 0.00225 63169 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01019 38.5 0.0 M+H-H2O C6H12O5 0.082247137 Benzyl sulfate 211.0033245 0.00225 90204 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 38.5 0.0 M+Na C7H8O4S -1.201806777 3-Fluorobenzoate 178.9906443 0.020566667 65755 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+K C7H5FO2 0.918086898 Heptanoic acid 113.0963458 0.070583333 HMDB0000666 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C17714 38.5 0.0 M+H-H2O C7H14O2 1.954932053 Lumazine 202.9969248 0.538583333 44770 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+K C6H4N4O2 2.080873228 4-Trimethylammoniobutanal 112.1122975 0.552433333 6179 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C01149 38.5 0.0 M+H-H2O C7H15NO 1.716479867 1-Methylhistamine 126.1026709 0.593983333 HMDB0000898 Organic nitrogen compounds Organonitrogen compounds Amines 2 C05127 38.5 0.0 M+H C6H11N3 0.775833716 Ethyldimethylaminopropyl Carbodiimide 156.1494737 0.607833333 24064 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C8H17N3 -0.324439546 Imidazole-4-acetaldehyde 128.0819691 0.663316667 58184 Organoheterocyclic compounds Azoles Imidazoles 2 C05130 38.5 0.0 M+NH4 C5H6N2O 1.187730255 4-Oxoglutaramate 163.0712009 0.663316667 63497 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C5H7NO4 -0.912376501 "N,N',N"",N'""-Tetraacetylglycoluril" 328.1248353 0.663316667 85163 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C12H14N4O6 -1.046123639 5-Methylthiopentanaldoxime 148.0794093 0.67715 64513 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C6H13NOS 2.365210617 4-Imidazolone-5-propionic acid 157.0607204 0.690983333 HMDB0001014 Organoheterocyclic compounds Azoles Imidazoles 2 C03680 38.5 0.0 M+H C6H8N2O3 -0.308907021 Allantoic acid 177.0617218 0.718683333 343 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00499 38.5 0.0 M+H C4H8N4O4 -0.621302344 Picolinamide 140.0817996 0.73255 65685 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C6H6N2O -0.317367631 3,4-Dihydroxybenzaldehyde 156.0654201 0.774083333 HMDB0059965 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 3 C16700 38.5 0.0 M+NH4 C7H6O3 -0.721056307 3,4-Dihydro-5-propanoyl-2H-pyrrole 164.0453456 0.7879 90271 Organoheterocyclic compounds Pyrrolines Unclassified Unclassified Unclassified 38.5 0.0 M+NH4, M+K, M+H C7H11NO 0.142136297 1,4-Diamino-2-nitrobenzene 154.0610196 0.7879 73088 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C6H7N3O2 -0.544203126 cis-4-Carboxymethylenebut-2-en-4-olide 158.0447283 0.7879 66181 Organoheterocyclic compounds Dihydrofurans Furanones Unclassified C04431 38.5 0.0 M+NH4 C6H4O4 -0.398827476 Etidronic acid 206.9811466 0.85775 2629 Organic acids and derivatives Organic phosphonic acids and derivatives Bisphosphonates Unclassified C07736 38.5 0.0 M+H C2H8O7P2 -3.183303314 N-Nitrosomorpholine 117.066077 0.9003 73001 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C4H8N2O2 1.921578578 L-Lysine 1,6-lactam 146.1287546 1.0006 65848 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C6H12N2O -0.265062506 Hydroxytyrosol 172.0968332 1.0006 HMDB0005784 Benzenoids Phenols Tyrosols and derivatives Unclassified Unclassified 38.5 0.0 M+NH4 C8H10O3 0.087446863 5-Acetyl-3,4-dihydro-2H-pyrrole 129.1023436 1.1264 HMDB0031308 Organoheterocyclic compounds Pyrrolines Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C6H9NO 0.938103364 N-Furfurylformamide 143.0814486 1.154533333 65850 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C6H7NO2 -0.443118109 1-Pyrroline-4-hydroxy-2-carboxylate 147.0762927 1.16885 HMDB0002234 Organoheterocyclic compounds Pyrrolines Unclassified 2 C04282 38.5 0.0 M+NH4 C5H7NO3 -0.975899778 6-nonenoylglycine 231.170143 1.184816667 HMDB0094811 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+NH4 C11H19NO3 -0.825961619 Hydroxyprolyl-Methionine 263.1057546 1.349116667 85776 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+H C10H18N2O4S -0.953274026 1,2-Diamino-4-nitrobenzene 154.0610354 1.394083333 73087 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C6H7N3O2 -0.441001088 3-hydroxy-cis,cis-muconic acid 141.0182165 1.40935 45914 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C03676 38.5 0.0 M+H-H2O C6H6O5 -0.117148784 ZLJ-6 297.1013539 1.46935 45512 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C12H13N3O3S -0.838199219 Pentosidine 361.1981985 1.5832 HMDB0003933 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+H-H2O C17H26N6O4 -0.176100014 3-hydroxy-3-methyl-2-oxo-butanoic acid 115.0392328 1.700233333 LMFA01020277 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C04181 38.5 0.0 M+H-H2O C5H8O4 1.986325792 2-Phthalimidoglutaramic acid 294.108222 1.716933333 2815 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C13H12N2O5 -0.815174714 4-nonenoylglycine 231.1701555 1.750416667 HMDB0094809 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+NH4 C11H19NO3 -0.767160261 3-Nitrophenol 140.0342307 1.817116667 70046 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C6H5NO3 0.080780012 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone 312.1549419 1.817116667 87983 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.5 0.0 M+NH4 C14H18N2O5 -1.548103609 5-Nitro-2-furfuryl methyl ether 140.0342066 1.884433333 69944 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C6H7NO4 -0.081965916 Bis(2-furanylmethyl) sulfide 212.0739338 1.884433333 HMDB0041503 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C10H10O2S -0.217809396 6,8-Dihydroxypurine 153.0406344 1.94945 58027 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 1 Unclassified 38.5 0.0 M+H C5H4N4O2 -0.443738126 p-Cymene 135.1167958 10.006 41091 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C06575 38.5 0.0 M+H C10H14 -0.231990787 5S-HpETE 319.2263329 10.12943333 LMFA03060012 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05356 38.5 0.0 M+H-H2O C20H32O4 -1.303655156 3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide 311.1849055 10.28776667 95221 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.5 0.0 M+H C17H26O5 -1.273109998 Acetostearin 473.2874567 10.92098333 88234 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+K C23H46O7-2 -0.127127126 PA(15:0/14:1(9Z)) 627.3998715 11.1524 LMGP10010139 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 38.5 0.0 M+Na C32H61O8P 0.405845785 Isotrichodermin 293.1743546 11.31523333 HMDB0034738 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.5 0.0 M+H C17H24O4 -1.304187101 22-Oxo-docosanoate 372.3467458 11.40651667 73268 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C22H42O3 -1.340405713 N-stearoyl dopamine 437.3733286 11.48685 LMFA08020246 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.5 0.0 M+NH4 C26H45NO3 -1.052269434 Pipericine 336.3255836 12.7812 LMFA08020200 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 38.5 0.0 M+H C22H41NO -1.514381132 Eicosadienoic acid 326.3049624 13.15018333 HMDB0005060 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C16525 38.5 0.0 M+NH4 C20H36O2 -1.276492156 Purine 138.0773508 13.72693333 HMDB0001366 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 1 C15587 38.5 0.0 M+NH4 C5H4N4 -0.59084216 N-Desmethylmifepristone (RU 42633) 433.2845181 14.95238333 1305 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C28H33NO2 -1.051639465 2-Acetyl-3-methylpyrazine 119.0605474 15.48381667 86654 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.5 0.0 M+H-H2O C7H8N2O 1.26979284 DL-Histidinol 124.0869697 15.80606667 63491 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C6H11N3O 0.325967262 7,8-dihydroxy-2H-chromen-2-one 196.0603015 2.04585 HMDB0130547 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins 3 C03093 38.5 0.0 M+NH4 C9H6O4 -0.745124613 4-(2-Nitroethyl)phenyl primeveroside 479.1867775 2.125966667 HMDB0031742 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.5 1.15 M+NH4 C19H27NO12 -0.809672222 2-Ethyl-4-methyloxazole 129.1023029 2.142083333 HMDB0037837 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 38.5 0.0 M+NH4 C6H9NO 0.571405516 Homovanillic acid 200.0916143 2.207783333 971 Benzenoids Phenols Methoxyphenols 2 C05582 38.5 0.0 M+NH4 C9H10O4 -0.659282868 N-Acetyl-2,3-dihydro-1H-pyrrole 129.1023117 2.356016667 HMDB0031163 Organoheterocyclic compounds Pyrrolines Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C6H9NO 0.650145946 6-Hydroxydopamine 187.1076769 2.437616667 6307 Benzenoids Phenols Benzenediols Unclassified Unclassified 38.5 0.0 M+NH4 C8H11NO3 -0.247314781 Triaziquone 232.1079154 2.504266667 73219 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C12H13N3O2 -0.596022462 4-Isopropylbenzoic acid 182.1175833 2.55365 44724 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C06578 38.5 0.0 M+NH4 C10H12O2 0.171639348 Secogalioside 421.1337401 2.57025 69151 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C17H24O12 -0.743799075 N5-Hexanoylspermidine 244.2381761 2.6534 HMDB0029568 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 38.5 0.0 M+H C13H29N3O -0.669584217 Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) 288.1439611 2.66965 773 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C13H18O6 -0.750447764 Trigonellinamide 154.0973973 2.73235 274 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C02918 38.5 0.0 M+NH4 C7H8N2O -0.669710344 Butenylcarnitine 247.1649372 2.797416667 LMFA07070053 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.5 0.0 M+NH4 C11H19NO4 -1.293689894 Phenylacetylglycine methyl ester 225.1231833 2.865033333 5786 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C11H13NO3 -0.895758442 2-Nitrophenol 140.0341767 2.9319 65691 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C6H5NO3 -0.307281127 Rhamnose 147.0652521 3.338 HMDB0000849 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00507 38.5 0.0 M+H-H2O C6H12O5 0.407313136 Ethyl 4-pentenoate 129.0910929 3.422833333 LMFA07010870 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.5 0.0 M+H C7H12O2 0.678331946 3-Isopropylmalic acid 159.0651213 3.644233333 340 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C04411 38.5 0.0 M+H-H2O C7H12O5 -0.362860491 (Z)-6-Nonen-1-ol 143.1430432 3.67825 HMDB0040581 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.5 0.0 M+H C9H18O 0.010912261 Succinic acid semialdehyde 103.0393079 3.7293 LMFA06000118 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C00232 38.5 0.0 M+H C4H6O3 3.306789984 Santene 123.11699 3.7463 92881 Hydrocarbons Unsaturated hydrocarbons Branched unsaturated hydrocarbons Unclassified Unclassified 38.5 0.0 M+H C9H14 1.336232788 Isopentyl pyrophosphate 336.1349064 3.7463 373 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C10H24O7P2 4.258000597 Laccarin 177.1022098 3.983116667 HMDB0041440 Organoheterocyclic compounds Pyrrolopyridines Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C10H14N2O2 -0.15253929 (Z)-5-Oxohex-2-enedioate 141.0182124 4.196733333 63559 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C6H6O5 -0.143111076 Leucyl-Gamma-glutamate 260.1604008 4.2137 85845 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+H C11H21N3O4 -0.31572786 4-Methyl-2-phenyl-2-pentenal 192.1382655 4.278366667 HMDB0037281 Benzenoids Benzene and substituted derivatives Phenylacetaldehydes 1 Unclassified 38.5 0.0 M+NH4 C12H14O -0.143926985 Indeloxazine 249.1596875 4.40975 68687 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C14H17NO2 -0.289229856 Isonicotinylglycine 181.0608384 4.491716667 HMDB0041912 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C16623 38.5 0.0 M+H C8H8N2O3 0.387974091 Miraxanthin-III 348.1554666 4.491716667 67062 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C17H18N2O5 0.21011251 5-Hydroxyindol-2-carboxylic acid 178.0499689 4.50795 44729 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C9H7NO3 0.561317279 (R)-2-Nitro-p-mentha-1,5-diene 199.1442031 4.5244 91256 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.5 0.0 M+NH4 C10H15NO2 0.545719975 Monocerin 326.1600564 4.571483333 68040 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C16H20O6 0.78716677 Phenylacetylglycine dimethylamide 203.1179239 4.604216667 69515 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C12H16N2O2 0.156298443 HYDRASTININE 225.1235138 4.604216667 44038 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C11H13NO3 0.700034751 Todatriol glucoside 413.1415139 4.666383333 HMDB0037260 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.5 0.0 M+Na C17H26O10 -0.778587495 N-Methyltyramine 134.0965269 4.6987 HMDB0003633 Benzenoids Benzene and substituted derivatives Phenethylamines 2 C02442 38.5 0.0 M+H-H2O C9H13NO 0.669287578 Casimiroin 251.1026915 4.6987 HMDB0033349 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified C10654 38.5 0.0 M+NH4 C12H11NO4 0.249558464 2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate (DAHP) 271.0224296 4.7151 3414 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C7H13O10P 3.765680157 4-Hydroxy-2,6-dimethylaniline 120.0810505 4.779683333 HMDB0060681 Benzenoids Phenols Cresols 2 C16570 38.5 0.0 M+H-H2O C8H11NO 2.004268605 2-Deoxystreptidine 285.1078197 4.779683333 65800 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+K C8H18N6O3 2.531821711 Sinapyl alcohol 228.1231901 4.8098 HMDB0013070 Benzenoids Phenols Methoxyphenols 2 C02325 38.5 0.0 M+NH4 C11H14O4 0.741003862 2-{[hydroxy(1-oxo-1H-isochromen-3-yl)methylidene]amino}acetic acid 265.0817825 4.825566667 HMDB0128628 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+NH4 C12H9NO5 -0.467243421 8-hydroxy Guanosine 317.1206983 4.841016667 44820 Unclassified Unclassified Unclassified 3 Unclassified 38.5 0.0 M+NH4 C10H13N5O6 0.968205849 Asteltoxin 419.2083006 4.856283333 HMDB0029464 Organoheterocyclic compounds Furofurans Unclassified Unclassified Unclassified 38.5 11.9 M+H C23H30O7 4.473725698 Oxabetrinil 215.0815073 4.9001 72639 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C12H12N2O3 0.014085781 Ac-Ser-Asp-Lys-Pro-OH 488.2351408 4.932916667 HMDB0062552 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+H C20H33N5O9 0.075375363 3-Methyl-3-butenyl apiosyl-(1->6)-glucoside 398.2024007 4.999783333 HMDB0031954 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.5 6.0 M+NH4 C16H28O10 0.862947316 Leiokinine A 214.122559 5.047433333 68509 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C14H17NO2 -0.352959931 5-nonenoylglycine 231.1702993 5.079183333 HMDB0094810 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+H, M+Na, M+NH4 C11H19NO3 0.653191083 4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone 468.201448 5.0956 70573 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C26H26O7 -0.512451744 L,L-Cyclo(leucylprolyl) 228.1707411 5.111566667 89817 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+NH4 C11H18N2O2 0.417410512 Iprovalicarb 321.2172015 5.161166667 72628 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C18H28N2O3 -0.211572106 Plastoquinol-1 189.1273894 5.239483333 LMPR02010037 Lipids and lipid-like molecules Prenol lipids Quinones and hydroquinones 2 C02185 38.5 0.0 M+H-H2O C13H18O2 -0.010575621 Hydroxytanshinone 333.1111399 5.288616667 91682 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.5 0.0 M+NH4, M+Na C19H18O4 0.132281596 fluorobenzoylpropionic acid 232.0789312 5.3049 HMDB0060951 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.5 0.0 M+NH4 C10H8F2O3 4.462291442 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone 394.1494999 5.3049 53115 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C19H20O8 -0.380815629 Pentasine 636.345496 5.3798 HMDB0029803 Organic acids and derivatives Carboxylic acids and derivatives Pentacarboxylic acids and derivatives Unclassified Unclassified 38.5 13.0 M+H-H2O C30H49N6O10+ -3.417123843 Ureidosuccinic acid 177.0497952 5.41175 HMDB0000828 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00438 38.5 0.0 M+H C5H8N2O5 -4.559061154 L-Kynurenine 209.0919702 5.427633333 HMDB0000684 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 3 C00328 38.5 0.0 M+H C10H12N2O3 -0.473380924 PA(15:1(9Z)/0:0) 417.2018923 5.490783333 82340 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 38.5 0.0 M+Na C18H35O7P 1.602079247 4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one 167.1066216 5.50615 64050 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O, M+H C10H16O3 -0.18737053 1-hydroxy-5-(4-methoxyphenyl)-2-methylpentan-3-one 240.1593123 5.586183333 HMDB0132943 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.5 0.0 M+NH4 C13H18O3 -0.484647479 Zanthodioline 323.159852 5.6028 HMDB0031929 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified Unclassified 38.5 0.0 M+NH4 C16H19NO5 -0.970878422 OHODA-PG 759.3853109 5.6028 LMGP20060035 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 38.5 0.0 M+H-H2O, M+K C36H65O12P -0.429453693 4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid 271.1650128 5.635316667 1354 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C13H19NO4 -0.872258987 Neostigmine 246.1334666 5.713466667 HMDB0015472 Benzenoids Benzene and substituted derivatives Phenoxy compounds Unclassified C07258 38.5 0.0 M+Na C12H19N2O2+ -1.82353806 4-Hydroxycinnamoylagmatine 315.1224537 5.713466667 HMDB0033460 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C04498 38.5 0.0 M+K C14H20N4O2 2.425203161 O-Acetylcypholophine 378.2383794 5.7291 68387 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C20H28N2O4 -0.981449282 b-D-Glucopyranosiduronic acid, 6-(3-hydroxybutyl)-2-naphthalenyl 410.180754 5.745083333 1376 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C20H24O8 -0.482540461 Gallopamil 507.2814736 5.745083333 2999 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+Na C28H40N2O5 -3.034246556 Dimebolin 358.1677895 5.793616667 45332 Organoheterocyclic compounds Indoles and derivatives N-alkylindoles Unclassified Unclassified 38.5 0.0 M+K C21H25N3 -0.67793291 Menthyl lactate 246.2062219 5.810533333 HMDB0037212 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.5 0.0 M+NH4 C13H24O3 -0.649878751 Fluprostenol-d4 445.2128199 5.810533333 96574 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C23H25D4F3O6 -1.345895869 L-Glutamic acid dibutyl ester 260.1854975 5.82695 3545 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C13H25NO4 -0.529294836 Dienestrol 284.1643273 5.994866667 HMDB0015027 Phenylpropanoids and polyketides Stilbenes Unclassified Unclassified C08090 38.5 17.0 M+NH4 C18H18O2 -0.668853509 Laricitrin 3-rutinoside-7-glucoside 859.1915212 5.994866667 50890 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.5 0.0 M+K C34H44O23 1.250270602 2,4-Nonadienal 121.1013408 6.011633333 HMDB0031685 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.5 0.0 M+H-H2O C9H14O 1.187663575 11b-Hydroxyprogesterone 333.2059363 6.011633333 HMDB0004031 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 2 C05498 38.5 0.0 M+H, M+NH4 C20H28O4 -0.299618706 1-Guanidino-1-deoxy-scyllo-inositol 244.0906786 6.202516667 64555 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+Na C7H15N3O5 1.299441008 5-(3''-hydroxypropyl)-7-hydroxy-2-(3',4'-methylenedioxyphenyl)benzofuran 295.0962286 6.202516667 265091 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C18H16O5 -0.82261956 (1R,2S,4R,5S)-2,5-Fenchanediol 2-O-b-D-glucoside 315.179853 6.218066667 HMDB0033221 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.5 0.0 M+H-H2O C16H28O7 -1.089738499 Dihydrofukinolide 393.2266515 6.218066667 90117 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.5 0.0 M+H C22H32O6 -1.309639774 Graveoline 262.0860425 6.2338 HMDB0033480 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified C10689 38.5 0.0 M+H-H2O C17H13NO3 -0.761502863 Octyl phenylacetate 249.1846936 6.29965 HMDB0037713 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.5 0.0 M+H C16H24O2 -0.857505901 CEPHALOTAXINE 333.1804891 6.29965 43928 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C18H21NO4 -1.25221346 Morphinone 301.1549716 6.49935 HMDB0003563 Alkaloids and derivatives Morphinans Unclassified 1 C01735 38.5 0.0 M+NH4 C17H17NO3 1.069106111 beta-Funaltrexamine 472.2439214 6.75725 72051 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C25H30N2O6 -0.640367969 2-Oxo-2,3-dihydrofuran-5-acetate 125.0233755 6.818416667 66005 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C6H6O4 0.388095725 (S,S)-(-)-Hydrobenzoin 232.133027 7.054383333 64946 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C14H14O2 -0.83256975 (R)-3-Hydroxybutyric acid 143.0107361 7.368583333 HMDB0000011 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives 2 C01089 38.5 0.0 M+K C4H8O3 2.248456135 Spiramine A 417.2742693 7.452616667 67143 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C24H33NO4 -1.289346645 12-oxo-20-dihydroxy-leukotriene B4 384.2375544 7.535616667 HMDB0012551 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 38.5 0.0 M+NH4 C20H30O6 -1.392051715 20-trifluoro-LTB4 391.2092074 7.535616667 36250 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 38.5 0.0 M+H C20H29F3O4 0.350939789 (S)-Laudanosine 375.2269445 7.666516667 HMDB0030213 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines 3 Unclassified 38.5 0.0 M+NH4 C21H27NO4 -2.4898913560000002 Pregn-4-ene-3,20-dione, 6a,17-dihydroxy-6-methyl-, 17-acetate 403.2473024 7.767266667 1086 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C24H34O5 -1.487099859 Lovastatin acid (Mevinolinic acid) 440.3001956 7.90815 1037 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C24H38O6 -1.11029996 6-Ethyl-4-methyl-3E,5E,7E-decatriene 179.1792767 8.0225 LMFA11000053 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 38.5 0.0 M+H C13H22 -0.844410135 Anhalamine 192.1017046 8.216633333 69378 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C11H15NO3 -0.95896547 Dibutyl succinate 231.1588419 8.381133333 72884 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C12H22O4 -1.05913636 4-(N-Maleimido)benzyltrimethylammonium iodide 373.0420896 8.549466667 69630 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C14H17IN2O2 3.594703952 Benzhydrol 202.122435 8.6408 1761 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C13H12O -1.116263628 Cavipetin D 419.278069 8.91945 HMDB0030365 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.5 0.0 M+H C25H38O5 -2.705740727 SWIETENINE 551.2637479 9.004233333 43669 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C32H40O9 -0.346169835 CLOVANEDIOL DIACETATE 340.2477803 9.239166667 44495 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+NH4 C19H30O4 -1.411218989 MG(0:0/15:0/0:0) 334.2946824 9.317566667 62316 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 38.5 0.0 M+NH4 C18H36O4 -1.589708143 STROPHANTHIDIN SEMICARBAZIDE 444.2489757 9.317566667 44254 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H-H2O C24H35N3O6 -0.697924367 1,3-Hexadecadien-1-ol 256.2631256 9.677 LMFA05000209 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 38.5 2.88 M+NH4 C16H30O -1.534138374 CAY10621 436.3416069 9.880183333 45549 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+H C26H45NO4 -1.213807812 Methyl (2E,4Z)-decadienoate 165.1272998 9.9442 HMDB0034730 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.5 0.0 M+H-H2O C11H18O2 -0.504017266 3,4-Dihydroxybutyric acid 103.0392941 0.00225 5326 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O C4H8O4 2.696165284 4-Nitrophenol 140.0341339 0.00225 HMDB0001232 Benzenoids Phenols Nitrophenols Unclassified C00870 38.4 0.0 M+H C6H5NO3 -0.615372284 2-(4-Methyl-5-thiazolyl)ethyl butanoate 214.0894624 0.00225 HMDB0032418 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 38.4 0.0 M+H C10H15NO2S -0.768498605 3-Hydroxypicolinic acid 140.034153 0.2222 HMDB0013188 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Unclassified C18620 38.4 0.0 M+H C6H5NO3 -0.478081722 2-Hydroxynicotinic acid 140.0341495 0.473116667 HMDB0059710 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Unclassified Unclassified 38.4 0.0 M+H C6H5NO3 -0.503324445 N-Nitroethylenediamine 128.0426422 0.506516667 87505 Organic 1,3-dipolar compounds Allyl-type 1,3-dipolar organic compounds Organic nitro compounds Unclassified Unclassified 38.4 0.0 M+Na C2H7N3O2 -3.855231942 Ammeline 110.045798 0.580133333 73559 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O C3H5N5O -2.546298119 Thiodiacetic acid sulfoxide 204.9569135 0.6217 70377 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+K C4H6O5S 0.970643312 Valeric acid 120.102084 0.663316667 LMFA01010005 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C00803 38.4 0.0 M+NH4 C5H10O2 1.753288998 myo-Inositol 203.0525137 0.663316667 HMDB0000211 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 2 C00137 38.4 0.0894 M+Na, M+K C6H12O6 -0.527772345 6-Hydroxyl-1,6-dihydropurine ribonucleoside 271.1034489 0.663316667 66214 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H, M+Na C10H14N4O5 -0.914753055 Prolyl-Arginine 272.1714124 0.67715 HMDB0029011 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+H, M+Na C11H21N5O3 -1.119449786 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 309.1290173 0.67715 66213 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C11H17NO8 -0.771901626 Diphenylphosphine isopropyl ester 367.1431921 0.67715 45301 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+Na C20H25O3P -0.464594388 D-Fructofuranose 1,2':2,3'-dianhydride 325.1128546 0.704816667 66178 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C12H20O10 -0.211877316 Allose 163.0600161 0.718683333 348 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01487 38.4 0.0 M+H-H2O C6H12O6 -0.465258312 Fludarabine 268.0848076 0.718683333 566 Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Unclassified Unclassified 38.4 0.0 M+H-H2O C10H12FN5O4 2.679092687 Ethylmalonic acid 115.0392212 0.73255 4180 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.4 0.0 M+H-H2O C5H8O4 1.898457757 3-(2,4,5-trihydroxy-3-methoxyphenyl)propanoic acid 211.0599797 0.73255 HMDB0125596 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.4 0.0 M+H-H2O, M+H C10H12O6 -0.526783893 Senecivernine 353.2068034 0.76025 68300 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C18H25NO5 -0.880131837 N-Formyl-L-methionine 178.0531549 0.774083333 HMDB0001015 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C03145 38.4 0.0 M+H C6H11NO3S -0.48443603 2,6-Diamino-7-hydroxy-azelaic acid 217.1182256 0.80175 69262 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O C9H18N2O5 -0.247045328 beta-Butoxyethyl nicotinate 241.15444 0.815583333 69542 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C12H17NO3 -1.025954423 Erinapyrone A 143.0702789 0.91435 HMDB0041426 Organoheterocyclic compounds Pyrans Pyranones and derivatives Unclassified Unclassified 38.4 0.0 M+H C7H10O3 0.058653353 Histidinyl-Proline 235.118825 1.0006 85799 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+H-H2O C11H16N4O3 -0.504347295 Hydroxyprolyl-Hydroxyproline 245.1131348 1.01445 HMDB0028864 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+H-H2O, M+H C10H16N2O5 -0.050759788 2-[4,6-dihydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-2-methoxyphenyl]acetic acid 300.1442599 1.042183333 HMDB0125459 Benzenoids Benzene and substituted derivatives Phenylacetic acids Unclassified Unclassified 38.4 0.0 M+NH4 C14H18O6 0.340675165 Propaphos 305.0976658 1.056116667 72764 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0234 M+H, M+Na C13H21O4PS 1.88282442 N-(3-oxo-butanoyl)-homoserine lactone 203.1024952 1.112483333 LMFA08030028 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.4 0.0 M+NH4 C8H11NO4 -0.74669667 (R)-2,3-Dihydroxy-isovalerate 117.0548642 1.1264 HMDB0012141 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C04272 38.4 0.0 M+H-H2O C5H10O4 1.817717238 Arginyl-Glutamate 285.1442942 1.1264 85623 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+H-H2O C11H20N5O5- 3.768732844 9-Hydroxybenzo[a]pyrene-4,5-oxide 302.1165085 1.154533333 HMDB0062439 Benzenoids Phenanthrenes and derivatives Chrysenes 2 C14854 38.4 0.0 M+NH4 C20H12O2 -3.684167646 Tyrosinamide 198.1235985 1.199516667 HMDB0013319 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+NH4 C9H12N2O2 -0.581242091 Dubinidine 314.0801688 1.21445 68474 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+K C15H17NO4 4.553474801 5-hydroxy-1H-indole-3-carboxylic acid 195.0763775 1.2294 HMDB0134931 Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Unclassified Unclassified 38.4 0.0 M+NH4 C9H7NO3 -0.232455359 METHOXYVONE 249.0903079 1.2294 43575 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O C17H14O3 -2.623693268 Methyl-L-NIO 188.1392217 1.272816667 45238 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C8H17N3O2 -0.703111098 Octopamine (p-Hydroxyphenylethanolamine) 171.1127003 1.318883333 61 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C8H11NO2 -0.678214056 Valiolone 175.0600121 1.334433333 69312 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O C7H12O6 -0.45688254 2,4-Hexadienyl butyrate 186.1488436 1.40935 HMDB0032312 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.4 0.0 M+NH4 C10H16O2 -0.069496599 Mesifurane 143.0702934 1.42375 HMDB0034230 Organoheterocyclic compounds Dihydrofurans Furanones Unclassified Unclassified 38.4 0.0 M+H C7H10O3 0.160446175 p-Aminobenzaldehyde 139.0866134 1.500583333 2831 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C7H7NO 0.198041165 3'-Sialyllactosamine 650.2623498 1.5667 HMDB0006607 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.4 0.0 M+NH4 C23H40N2O18 1.442280751 L-Threonine 120.0657619 1.5832 HMDB0000167 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00188 38.4 0.0 M+H C4H9NO3 2.035292206 (Morpholinoimino)acetonitrile 140.0817738 1.666633333 1340 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C6H9N3O -0.463942138 CHONDROSINE 356.1198326 1.700233333 43949 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C12H21NO11 3.085570393 2,6-Dihydroxynicotinate 138.0186271 1.733633333 63880 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O, M+H C6H5NO4 0.372336514 (3Z)-2-Propylpent-3-enoic acid 160.133183 1.867833333 HMDB0013903 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16654 38.4 0.0 M+NH4 C8H14O2 -0.156123927 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide 403.1821814 1.900533333 73260 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C19605 38.4 0.0 M+NH4 C16H23N3O8 -0.412304711 PHODiA-PA 598.3366955 10.25611667 LMGP20070007 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 38.4 0.0 M+NH4 C27H49O11P 2.793372831 Polyoxyethylene 40 monostearate 346.3311107 10.30253333 88488 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.4 0.0 M+NH4 C20H40O3 -1.400938903 (Z,Z)-3,6-Dodecadien-1-ol 183.1742616 10.47075 LMFA05000573 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.4 0.0 M+H C12H22O -0.440011397 17-hydroxyandrostane-3-glucuronide 502.3006449 10.47075 57954 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 38.4 0.0 M+NH4 C25H40O9 -0.853871074 18-fluoro-octadecanoic acid 325.2521555 10.67678333 34674 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.4 0.0 M+Na C18H35FO2 2.733388745 4-Fluorocatechol 166.9906236 10.873 71214 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+K C6H5FO2 0.842544631 MG(0:0/18:3(6Z,9Z,12Z)/0:0) 370.2947793 11.03361667 62323 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 38.4 0.0 M+NH4 C21H36O4 -1.15218241 12-hydroxy-5,8,10-heptadecatrienoic acid 263.2002279 11.31523333 74573 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C20388 38.4 0.0 M+H-H2O, M+H C17H28O3 -1.172594519 4-Methylcatechol 125.0597512 11.37685 64945 Benzenoids Phenols Benzenediols 2 C06730 38.4 0.0 M+H C7H8O2 0.364804028 (3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene 219.2105336 11.4223 HMDB0034498 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C20700 38.4 0.0 M+H C16H26 -0.887708306 Bovinic acid 298.273656 11.97426667 HMDB0003797 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C04056 38.4 0.0 M+NH4 C18H32O2 -1.426710167 Valeroyl Salicylate 205.0857632 12.13366667 43594 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O C12H14O4 -0.709087776 Linoleamide 297.2897381 13.30505 LMFA08010008 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 38.4 0.0 M+NH4 C18H33NO -1.081998414 Tricosanoylglycine 429.4047373 14.35463333 HMDB0013314 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+NH4 C25H49NO3 -0.808712987 N-isobutyl-2E,4Z-octadecadienoyl amine 336.3256022 14.9227 LMFA08020207 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.4 0.0 M+H C22H41NO -1.458821339 Pseudoephedrine 148.1119351 15.18841667 2189 Benzenoids Benzene and substituted derivatives Phenylpropanes 2 C02765 38.4 0.0 M+H-H2O C10H15NO -0.852528379 Phytal 312.3256129 15.73338333 HMDB0035654 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.4 0.0 M+NH4 C20H38O -1.625658659 5-Heptynoic acid, 7-hydroxy-; 7-Hydroxy-5-heptynoic acid 143.0702428 2.305933333 74626 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C7H10O3 -0.195672734 Isonicotineamide 140.0817341 2.339433333 65768 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C6H6N2O -0.854439125 Gemcitabine 281.1065361 2.387916667 565 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides Unclassified C07650 38.4 0.0 M+NH4 C9H11F2N3O4 3.604578354 2-Pyridylacetaldehyde 139.0865747 2.4209 1309 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C7H7NO -0.121222825 Methyl o-methoxyhippuric acid 224.0914984 2.620233333 5659 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C11H13NO4 -1.05751445 ZM 336372 412.1644161 2.620233333 64698 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+Na C23H23N3O3 3.221698976 Arginyl-Asparagine 289.1631622 2.636816667 HMDB0028704 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+H C10H20N6O4 4.451189336 Cinnamoylglycine 223.1075784 2.685183333 HMDB0011621 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+NH4 C11H11NO3 -0.684257873 (5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate 204.1593384 2.9319 64072 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C10H18O3 -0.438099691 3-Hydroxystachydrine 160.0967661 3.101233333 68156 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C7H13NO3 -0.337080916 D-2-Amino-hexano-6-lactam 129.102331 3.135316667 66307 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C6H12N2O 0.714610002 L-Ascorbic acid-2-glucoside 356.1197093 3.270766667 72159 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C12H18O11 2.876107359 Vanilloside 332.1337113 3.304183333 HMDB0029664 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.4 0.0 M+NH4 C14H18O8 -0.897172363 (-)-Pellotine 238.1435403 3.338 67841 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C13H19NO3 -0.968059436 Tyrosyl-Leucine 312.1914818 3.37185 HMDB0029109 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 38.4 0.0 M+NH4 C15H22N2O4 -1.022929569 Glutarylcarnitine 258.1334827 3.405816667 LMFA07070066 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.4 0.0 M+H-H2O C12H21NO6 -0.423233892 Demethylmethoxsalen 185.0233114 3.490866667 1201 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O C11H6O4 -0.044773929 N-(3-oxo-pentanoyl)-homoserine lactone 217.1181099 3.576033333 LMFA08030031 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.4 0.0 M+NH4 C9H13NO4 -0.871497216 Elaidic acid 283.2629308 3.67825 HMDB0000573 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C01712 38.4 0.0 M+H C18H34O2 -0.800488598 Erinapyrone B 143.0702776 3.7293 95824 Organoheterocyclic compounds Pyrans Pyranones and derivatives Unclassified Unclassified 38.4 0.0 M+H C7H10O3 0.048879581 ETHYLNOREPINEPHRINE 215.1389007 3.84855 44403 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C10H15NO3 -0.599378297 4-Oxo-4-(3-pyridyl)-butanoic acid 197.0921046 4.163 5924 Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives 2 C19569 38.4 0.0 M+NH4 C9H9NO3 0.200677571 Promacyl 295.2014431 4.246316667 72715 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C16H23NO3 -0.635054946 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone 143.0702968 4.31095 HMDB0033551 Organoheterocyclic compounds Dihydrofurans Furanones Unclassified Unclassified 38.4 0.0 M+H C7H10O3 0.184031093 Panaquinquecol 7 277.1799197 4.376416667 HMDB0041201 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.4 0.0 M+H C17H24O3 0.357125222 5-Nitro-ortho-anisidine 169.0609651 4.459283333 73163 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C7H8N2O3 1.169710887 Isoleucyl-Gamma-glutamate 242.1498659 4.5244 85826 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+H-H2O C11H21N3O4 -0.200742791 Oxomethylphenidate 265.1545725 4.55555 1229 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C14H17NO3 -0.390303307 N-Carboxytocainide 254.1499342 4.682216667 2865 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C12H16N2O3 0.068912524 N-Methylpelletierine 173.1648952 4.7945 64436 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H, M+NH4 C9H17NO 0.440763008 7-Methylguanosine 316.1502204 4.825566667 HMDB0001107 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C11H16N5O5+ 4.197165849 Isocarboxazid 232.107957 4.856283333 HMDB0015377 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 38.4 0.0 M+H C12H13N3O2 -0.416013061 Streptobiosamine 376.1000937 4.871 66705 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+K C13H23NO9 -1.025421551 Sylvopinol 172.0968406 4.885333333 HMDB0030570 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 38.4 0.0 M+NH4 C8H10O3 0.135821115 Cardiogenol C 261.1344428 4.932916667 64802 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C13H16N4O2 -0.612634171 8-Isoquinoline methanamine (hydrochloride) 158.0964912 5.047433333 45036 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C11H11N 0.416193603 N-Acetoxy-4-aminobiphenyl 245.1285804 5.0956 66010 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C14H13NO2 0.555948033 PS(14:1(9Z)/0:0) 506.1922998 5.0956 LMGP03050032 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 38.4 0.0 M+K C20H38NO9P 1.547976426 Furoparadine 329.1133075 5.111566667 HMDB0041087 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 38.4 0.0 M+NH4 C17H13NO5 0.351689954 EXALAMIDE 239.1753477 5.144516667 44112 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C13H19NO2 -0.256250386 2-Hydroxymethylropivacaine 308.2331539 5.192583333 2380 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C17H26N2O2 -0.343562033 Sitagliptin 425.1528341 5.192583333 85042 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+NH4 C16H15F6N5O 2.282110852 (1E)-5-hydroxy-1-(4-methoxyphenyl)pent-1-en-3-one 189.0910183 5.239483333 HMDB0132977 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.4 0.0 M+H-H2O C12H14O3 0.05944058 10-Acetyl-3,7-dihydroxyphenoxazine 275.1024737 5.3049 64703 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C14H11NO4 -0.620946521 1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone 267.1701712 5.364233333 70526 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C14H19NO3 -0.593183891 Obtusifolin 2-glucoside 447.1283683 5.41175 68292 Benzenoids Anthracenes Anthraquinones 1 C10381 38.4 0.0 M+H C22H22O10 -0.459574359 8-Nonen-3-one 123.1169886 5.44365 90184 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.4 0.0 M+H-H2O, M+K C9H16O 1.154394656 L-Hexanoylcarnitine 260.1855595 5.490783333 3548 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.4 0.0 M+H C13H25NO4 -0.290292637 p-Mentha-1,3,5,8-tetraene 133.1012495 5.50615 HMDB0029641 Benzenoids Benzene and substituted derivatives Phenylpropenes 3 Unclassified 38.4 0.0 M+H C10H12 0.550054957 Platyphylline 376.1531498 5.50615 3473 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+K C18H27NO5 3.169535616 a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol 241.190903 5.553333333 2015 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C13H21NO2 -0.678840657 Thiobenzamide 155.063411 5.619533333 71171 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C7H7NS -2.443232734 5alpha-Androst-16-en-3-one 255.2106171 5.619533333 HMDB0034406 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 38.4 0.0 M+H-H2O, M+H C19H28O -0.404660181 PG(18:2(9Z,12Z)/0:0) 491.2780312 5.650983333 80002 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 38.4 0.0 M+H-H2O, M+Na C24H45O9P 2.36060288 9-Riburonosyladenine 299.1100474 5.66695 69076 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C10H11N5O5 0.723597182 Vanillin 153.0545831 5.682066667 HMDB0012308 Benzenoids Phenols Methoxyphenols 3 C00755 38.4 0.0 M+H C8H8O3 -0.246235931 3-Hydroxyhexobarbital 253.1181193 5.682066667 65899 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C12H16N2O4 -0.65112509 Geranylgeranyl diphosphate 433.1905441 5.793616667 LMPR0104010001 Lipids and lipid-like molecules Prenol lipids Diterpenoids 2 C00353 38.4 0.0 M+H-H2O, M+NH4 C20H36O7P2 0.456629227 Ubiquinone-2 336.2169501 5.910883333 HMDB0006709 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 2 C00399 38.4 0.0 M+NH4 C19H26O4 0.04798992 Salbutamol 257.1856527 5.9279 HMDB0001937 Benzenoids Benzene and substituted derivatives Benzyl alcohols Unclassified C11770 38.4 0.0 M+NH4 C13H21NO3 -1.322713344 6-Succinoaminopurine 253.1050022 5.978083333 HMDB0013204 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 38.4 0.0 M+NH4 C9H9N5O3 2.71207483 3,4,5-trihydroxy-6-[4-(3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}propyl)phenoxy]oxane-2-carboxylic acid 829.1812669 6.011633333 HMDB0128236 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.4 0.0 M+K C33H42O22 1.690529166 Aziridyl benzoquinone 321.1442168 6.044966667 73040 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H-H2O C16H22N2O6 -0.832020936 3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide 281.1745023 6.366616667 HMDB0040755 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.4 0.0 M+H-H2O, M+H C16H24O4 -0.892801689 Methyl 10-undecenoate 216.1956209 6.399633333 86365 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.4 0.0 M+NH4 C12H22O2 -0.931209426 (3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol 412.268919 6.44925 88076 Organoheterocyclic compounds Naphthofurans Unclassified Unclassified Unclassified 38.4 0.0 M+H, M+NH4 C22H34O6 -1.184300608 Lucidenic acid N 443.2784036 6.44925 HMDB0038352 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 38.4 0.0 M+H-H2O, M+H C27H40O6 -1.731934804 4'-Desmethylpapaverine 343.1648989 6.465933333 1703 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C19H19NO4 -1.029428384 2,5-Diisopropyl-4-methylphenol 175.1480529 6.48265 HMDB0029821 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.4 0.0 M+H-H2O C13H20O -0.385448805 Farnesol 205.1949527 6.6307 HMDB0004305 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 2 C06081 38.4 0.0 M+H-H2O C15H26O -0.560410915 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid 205.1221874 6.75725 HMDB0140967 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.4 0.0 M+H-H2O, M+Na C13H18O3 -0.534873416 TETRAHYDROTRIMETHYLHISPIDIN 310.1646232 7.087216667 44639 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C16H20O5 -0.945078209 N-Acetyl-leu-leu-leu-tyr-amide 562.3593261 7.25285 68968 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C29H47N5O6 -1.041371033 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one 342.2634422 7.402283333 LMFA05000595 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.4 0.0 M+NH4 C19H32O4 -1.36585543 Madecassoside 957.5037149 7.666516667 94663 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.4 0.0 M+H-H2O, M+H C48H78O20 -1.684642308 Seneciphylline 351.1910854 7.843266667 68299 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C18H23NO5 -1.089437055 Lyngbic acid 274.2373218 8.103666667 65452 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C15H28O3 -1.36025993 Goshonoside F4 613.3588482 8.103666667 93085 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.4 0.0 M+H-H2O C32H54O12 0.966614687 PG(15:1(9Z)/0:0) 469.2557538 8.119833333 80006 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 38.4 0.0 M+H C21H41O9P -0.730660037 Rapanone 340.2480272 8.15215 68305 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C19H30O4 -0.644937503 Queuine 295.1524617 8.549466667 6279 Organoheterocyclic compounds Pyrrolopyrimidines Pyrrolo[2,3-d]pyrimidines Unclassified C01449 38.4 0.0 M+NH4 C12H15N5O3 4.138218726 PGF2alpha isopropyl ester 414.320672 8.6408 LMFA03010076 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 38.4 12.6 M+NH4 C23H40O5 -1.836786517 PE-Cer(d16:1(4E)/24:0(2OH)) 799.5701942 8.6891 LMSP03020086 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids Unclassified Unclassified 38.4 0.0 M+K C42H85N2O7P -3.160082882 NG-amino-L-Arginine 228.0850741 9.113066667 96429 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+K C6H15N5O2 -3.483164488 3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol 195.1014413 9.175883333 HMDB0126162 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.4 0.0 M+H C11H14O3 -0.666999724 PC(O-8:0/O-1:0)[U] 384.2525832 9.2073 40254 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+H C17H38NO6P 4.258788708 Nalorphine 329.1855581 9.598433333 43268 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C19H21NO3 -1.320931248 MEBHYDROLIN 277.1692171 9.63115 43471 Organoheterocyclic compounds Indoles and derivatives N-alkylindoles Unclassified Unclassified 38.4 0.0 M+H C19H20N2 -2.563530017 Benzyl nicotinate 231.1125154 9.70755 69501 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+NH4 C13H11NO2 -1.354790362 Pubesenolide 459.3099606 9.807416667 89500 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 38.4 0.0 M+H C28H42O5 -1.178807852 2-Acetylpyrazine 140.0816889 0.00225 87980 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.3 0.0 M+NH4 C6H6N2O -1.224313883 2-Methyl-3-hydroxybutyric acid 101.0600809 0.020566667 HMDB0000354 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.3 0.0 M+H-H2O C5H10O3 3.175608805 Cholesterol 369.3511929 0.0372 LMST01010001 Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids 2 C00187 38.3 0.0 M+H-H2O C27H46O -0.996356851 1,2,3,5-Tetrahydroxybenzene 125.0234594 0.523333333 66034 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O C6H6O4 0.978869132 N-Ethylammelide 179.0537927 0.580133333 66433 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+Na C5H8N4O2 -0.98353204 Ne-Methyl-L-lysine 161.128425 0.607833333 49 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C7H16N2O2 -0.182530325 Ethyl Oxalacetate 206.1023366 0.663316667 6422 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C8H12O5 0.199973412 5-Aminopentanamide 117.1024711 0.67715 HMDB0012176 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00990 38.3 0.0 M+H C5H12N2O 1.9953903 1-(gamma-Glutamylamino)cyclopropanecarboxylic acid 248.1238186 0.67715 87877 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M+NH4 C9H14N2O5 -1.210479018 3-Oxoadipic acid 178.0708542 0.690983333 HMDB0000398 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 2 C00846 38.3 0.0 M+NH4 C6H8O5 -0.903819063 Galactitol 205.0681598 0.690983333 HMDB0000107 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01697 38.3 0.0 M+Na C6H14O6 -0.544064723 N2-Acetyl-L-aminoadipate 221.1130254 0.690983333 63446 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C8H13NO5 -0.850276337 L-Arginine 157.1083089 0.718683333 HMDB0000517 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00062 38.3 0.0 M+H-H2O C6H14N4O2 -0.451397631 4,4-Bis(p-fluorophenyl)butyric acid 259.0924264 0.718683333 1940 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O C16H14F2O2 -1.707493397 N-(Carboxyaminomethyl)urea 116.0458389 0.73255 66389 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O C3H7N3O3 2.901285938 Mimosine 216.0977628 0.73255 43986 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C04771 38.3 0.0 M+NH4 C8H10N2O4 -0.603298753 3-Formylsalicylic acid 184.0605499 0.7464 69791 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C8H6O4 0.696779679 Nopaline 305.1447696 0.7464 63474 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C11H20N4O6 -2.601622504 Gamma Glutamylglutamic acid 277.1029413 0.76025 62460 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C10H16N2O7 -0.311332206 2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine 166.0722955 0.7879 HMDB0011657 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C04744 38.3 0.0 M+H-H2O, M+Na C6H9N5O2 -0.222646042 (R)-AMAA 190.0821517 0.7879 69672 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C6H8N2O4 -0.468117463 2-Benzoxazolol 136.0393629 0.94255 HMDB0032931 Organoheterocyclic compounds Benzoxazoles Benzoxazolones Unclassified Unclassified 38.3 0.0 M+H C7H5NO2 0.430273343 Acetylagmatine 195.1235616 1.0006 65718 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H, M+Na C7H16N4O 0.532119433 Neuromedin B (1-3) 285.1555481 1.0006 HMDB0013016 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M+H-H2O, M+Na C12H22N4O5 -0.607153248 (S)-5'-Deoxy-5'-(methylsulfinyl)adenosine 314.0916495 1.01445 HMDB0033662 Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides Unclassified Unclassified Unclassified 38.3 0.0 M+H C11H15N5O4S -0.325655777 L-NIL 188.1392784 1.112483333 62970 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C8H17N3O2 -0.399738291 Acalyphin 378.1507072 1.112483333 66904 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C14H20N2O9 0.004085824 1-Methyl-1,6-dihydropyridine-2-carbaldoxime 156.1131489 1.184816667 69204 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C7H10N2O 0.075105978 2,5-Dihydro-5-oxofuran-2-acetate 125.0234893 1.199516667 66114 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O, M+NH4 C6H6O4 1.188771207 2-Methyladipic acid 143.070211 1.21445 HMDB0029167 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.3 0.0 M+H-H2O C7H12O4 -0.372506143 Argininosuccinic acid 273.1190582 1.243816667 HMDB0000052 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C03406 38.3 0.0 M+H-H2O C10H18N4O6 -0.992383981 2-Phenylbutyramide 181.1333706 1.2582 2085 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C10H13NO -1.036088976 2-Nonen-1-ol 143.143063 1.40935 HMDB0041498 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.3 0.0 M+H C9H18O 0.150430679 7-Methyluric acid 183.0513181 1.46935 61975 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C16355 38.3 0.0 M+H C6H6N4O3 0.283419226 Penicillenic acid 262.0856494 1.500583333 69194 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C9H12N2O4S 0.188474303 2-Methylguanosine 298.1144827 1.533116667 HMDB0005862 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified 3 Unclassified 38.3 0.0 M+H C11H15N5O5 -0.378220907 3-Methylguanine 166.072374 1.54975 HMDB0001566 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified C02230 38.3 0.0 M+H C6H7N5O 0.228455005 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone 224.10289 1.5667 73257 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C19602 38.3 0.0 M+H C10H13N3O3 -0.34828226 Beta-Tyrosine 199.1077479 1.632833333 HMDB0003831 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C04368 38.3 0.0 M+NH4 C9H11NO3 0.160918308 Histidinyl-Tryptophan 380.1119745 1.632833333 HMDB0028896 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M+K C17H19N5O3 0.078812494 3-Hydroxy-N-methylpyridinium 127.0867335 1.716933333 2200 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C6H7NO 1.321951228 Isradipine Metabolite (3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-, mo 345.1193643 1.767216667 874 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C16H13N3O5 0.055920249 Dihydrodipicolinic acid 187.0713369 1.867833333 333 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C7H7NO4 0.021899903 beta-Geraniol 155.1429999 1.884433333 HMDB0035155 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C01500 38.3 0.0 M+H C10H18O -0.270673102 Pramoxine 332.1633757 1.933416667 43313 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+K C17H27NO3 3.833318125 Phenicarbazide 152.0818319 1.94945 73190 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C7H9N3O -0.042632825 Encelin 262.1435229 10.0824 67666 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 C09404 38.3 0.0 M+NH4 C15H16O3 -1.01177424 Aminophylline 438.2304641 10.0824 85478 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C07130 38.3 0.0 M+NH4 C16H24N10O4 -3.714239158 (9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine 438.3209553 10.09818333 LMFA07070027 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 38.3 0.0 M+H C25H43NO5 -1.016746527 Nonadecylic acid 316.3206519 10.47075 LMFA01010019 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C16535 38.3 0.0 M+NH4 C19H38O2 -1.187047231 Tricycloekasantalol 198.1851223 10.62896667 HMDB0039339 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.3 0.0 M+NH4 C12H20O -0.657980958 LysoSM(d18:1) 466.3522966 10.70865 HMDB0006482 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids 2 C03640 38.3 0.0 M+H C23H50N2O5P+ -1.534631097 5-(1-oxopropan-2-yl)isolongifol-5-ene 243.2104375 10.96895 LMPR0103500011 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 38.3 0.0 M+H-H2O C18H28O -1.113640912 Avocadyne 2-acetate 344.2792089 11.0171 87372 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.3 0.0 M+NH4 C19H34O4 -1.000003529 4,5-(methanoxyethano)isolongifol-4-ene 243.2104099 11.10941667 LMPR0103500012 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 38.3 0.0 M+H-H2O C18H28O -1.219506855 BISSALICYL FUMARATE 357.0620654 11.10941667 43539 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C18H12O8 4.413951457 cis-5-Tetradecenoylcarnitine 370.2947314 11.31523333 6437 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 M+H C21H39NO4 -1.228752688 Methoprene acid 269.2107926 11.3302 43446 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O, M+H C16H28O3 -1.122397607 1-Acetoxy-2-hydroxy-16-heptadecen-4-one 349.2351607 11.36115 87344 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.3 0.0 M+Na C19H34O4 0.70642182 4,2',4'-Trihydroxy-3',5'-diprenylchalcone 410.2320985 11.39205 LMPK12120049 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C25H28O4 -1.240198791 delta-Methylionone 207.1741416 11.69568333 HMDB0031737 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.3 0.0 M+H-H2O, M+H C14H22O -0.708315252 4-Dodecylphenol 280.2631816 12.02326667 69906 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C18H30O -1.180189878 2-Ethyl-1,3,3-trimethyl-2-norbornanol 183.1742481 12.38306667 88324 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.3 0.0 M+H C12H22O -0.514099572 Farnesal 221.1897751 12.4943 44756 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 2 C03461 38.3 0.0 M+H C15H24O -0.984111455 Erucic acid 356.3518592 13.33548333 HMDB0002068 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C08316 38.3 0.0 M+NH4 C22H42O2 -1.32106794 Macamide 406.2521228 14.4858 LMFA08020159 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.3 0.0 M+K C25H37NO 3.947477659 2-Imino-4-methylpiperidine 113.1075153 15.01111667 64866 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C6H12N2 1.699065982 (-)-Hygroline 144.1381994 15.29165 68157 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C8H17NO -0.637097671 Norselic acid C 425.3045365 15.6893 LMST01031090 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 38.3 0.0 M+H, M+Na C28H40O3 -1.143254855 3-Dimethylallyl-4-hydroxyphenylpyruvate 266.138449 2.0934 64597 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C14H16O4 -0.949111671 4-Hydroxyphenylacetaldehyde 137.0596768 2.1097 63506 Benzenoids Benzene and substituted derivatives Phenylacetaldehydes 2 C03765 38.3 0.0 M+H C8H8O2 -0.21435311 2,4-Dimethyl-2-pentenoic acid 129.0910701 2.125966667 HMDB0039819 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.3 0.0 M+H C7H12O2 0.499636738 Glucosylisomaltol 289.0915158 2.125966667 93061 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.3 0.0 M+H C12H16O8 -0.965460876 N-Nitrosodiethylamine 103.0868923 2.1582 70049 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C4H10N2O 2.967006008 2-(Ethylamino)propiophenone 195.1491316 2.1582 2010 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C11H15NO -0.327802221 2,4,6-trimethyl-3,5-dinitrobenzonitrile 236.0663598 2.174483333 34473 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C10H9N3O4 -0.946390865 Stizolobate 228.0500171 2.322666667 63513 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C9H9NO6 -1.084833284 Ethyl tiglate 129.0910666 2.339433333 LMFA07010884 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C08487 38.3 0.0 M+H C7H12O2 0.472533723 (R)-3-hydroxybutyrylcarnitine 265.1754063 2.5869 HMDB0062735 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 Unclassified 38.3 0.0 M+NH4 C11H21NO5 -1.586045059 (2S)-2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid 258.144755 2.848133333 HMDB0142637 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C11H16N2O4 -0.323067088 2-Pyridylethanol 141.1021877 2.91515 1310 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C7H9NO -0.420839561 Avenanthramide 1c 317.1129956 2.96555 86155 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.3 0.0 M+NH4 C16H13NO5 -0.676965432 5-Carboxymethoxy-3,4-dihydrocarbostyril 222.0758332 3.0672 1549 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C11H11NO4 -1.135852924 PI(14:0/0:0) 562.2978328 3.101233333 81173 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 38.3 0.0 M+NH4 C23H45O12P -1.573171557 Phenyllactic acid 184.0967987 3.18635 HMDB0000779 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified 3 C01479 38.3 0.0 M+NH4 C9H10O3 -0.126698258 Oxidized-adrenal-ferredoxin 201.1232477 3.2875 HMDB0062515 Benzenoids Phenols Benzenediols 3 Unclassified 38.3 0.0 M+NH4 C9H13NO3 -0.661265783 15-Deacetylcalonectrin 326.1959559 3.456883333 HMDB0035724 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.3 0.0 M+NH4 C17H24O5 -0.790265776 N-Acetylcadaverine 145.1334938 3.507883333 6592 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 38.3 0.0 M+H C7H16N2O -0.317678136 xi-5-Hydroxydodecanoic acid 217.1797292 3.559016667 94705 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.3 0.0 M+H C12H24O3 -0.424735788 HBOA 183.0766135 3.593083333 64534 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C8H7NO3 1.180803174 N-Caffeoyltryptophan 389.1114053 3.69525 86535 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M+Na C20H18N2O5 1.67399922 D-Tryptophan 227.0788435 4.04825 65364 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified C00525 38.3 0.0 M+K, M+Na C11H12N2O2 -0.422070483 3-Methyl-quinolin-2-ol 160.0756029 4.064383333 66381 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O, M+H C10H9NO -0.246005527 Formyl-5-hydroxykynurenamine 209.0919137 4.080516667 63540 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C05647 38.3 0.0 M+H C10H12N2O3 -0.744720276 Enterocin 900 490.2137564 4.146366667 HMDB0038284 Lipids and lipid-like molecules Prenol lipids Monoterpenoids Unclassified Unclassified 38.3 0.0 M+K C31H33NO2 -1.176795048 Dimethylaniline-N-oxide 120.0810078 4.230033333 HMDB0001466 Benzenoids Benzene and substituted derivatives Unclassified 1 C01183 38.3 0.0 M+H-H2O C8H11NO 1.693048317 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- 252.09784 4.393 1413 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C11H10N2O4 -0.180922703 L-Lysine 147.1128654 4.47545 HMDB0000182 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00047 38.3 0.0 M+H C6H14N2O2 0.419472151 (11Z)-8,18-propano-retinal 363.2088742 4.47545 LMPR01090045 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 38.3 11.2 M+K C23H32O 1.235034836 3,4-Methylenedioxymethamphetamine (MDMA) 211.1441255 4.491716667 3311 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C11H15NO2 0.110046983 2,4-DPD 224.0917723 4.491716667 63077 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C11H13NO4 0.170229751 a-Methyl-3,4-dihydroxyphenylpropionic acid 214.1074422 4.604216667 1515 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C10H12O4 0.294577785 Di-n-pentyl phthalate 324.2168443 4.74755 69951 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C18H26O4 -0.295690573 2-Oxomelatonin 249.1235892 4.7945 HMDB0060721 Organoheterocyclic compounds Indoles and derivatives Indolines Unclassified Unclassified 38.3 0.0 M+H C13H16N2O3 0.888273177 5,6,7-Trimethoxycoumarin 254.1022799 4.8098 67597 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C12H12O5 -0.081137037 Fortimicin KK1 389.2021739 4.8098 71970 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+Na C14H30N4O7 4.106650479 Boc-Asn 271.0686776 4.871 65591 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+K C9H16N2O5 -1.732351535 Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)- 334.2124672 4.871 1513 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C18H24N2O3 -0.161243559 Ipomeanine 184.096918 4.9501 HMDB0034243 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 3 Unclassified 38.3 0.0 M+NH4 C9H10O3 0.591715631 L-Capreomycidine 195.0878241 4.983366667 72278 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4, M+Na C6H12N4O2 3.411563861 Ethyl 2-pyrrolecarboxylate 157.0972254 5.047433333 HMDB0059856 Organoheterocyclic compounds Pyrroles Pyrrole carboxylic acids and derivatives Unclassified Unclassified 38.3 0.0 M+NH4 C7H9NO2 0.513057936 alpha-Allokainic acid 231.1338098 5.144516667 71936 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C10H15NO4 -0.580417078 Zingerone glucoside 374.1809171 5.192583333 95045 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.3 0.0 M+NH4 C17H24O8 -0.073482299 Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- 213.1597225 5.223183333 1264 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C11H17NO2 -0.163002605 PC(3:0/3:0)[U] 392.1452057 5.288616667 39950 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+Na C14H28NO8P 1.98151842 Norsanguinine 277.1545292 5.33425 69395 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C15H17NO3 -0.539384952 2-S-glutathionyl acetate 383.123432 5.33425 HMDB0062198 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C14862 38.3 0.0 M+NH4 C12H19N3O8S 0.878923109 PC(8:2(2E,4E)/8:2(2E,4E)) 484.2462149 5.348566667 LMGP01011254 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 38.3 0.0 M+H-H2O C24H40NO8P 0.696791037 2-Ethyl-4,5-dimethyloxazole 143.1179421 5.41175 92671 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 38.3 0.0 M+NH4 C7H11NO 0.420830582 Benzphetamine 278.1297952 5.427633333 HMDB0015003 Benzenoids Benzene and substituted derivatives Phenethylamines Unclassified C07538 38.3 0.0 M+K C17H21N -3.188446597 6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one 186.1488689 5.44365 90124 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.3 0.0 M+NH4 C10H16O2 0.081066504 HAEMATOMMIC ACID, ETHYL ESTER 207.0651407 5.44365 43967 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O, M+H C11H12O5 -0.198613754 4-Isopropylphenylacetaldehyde 145.1011726 5.474733333 95879 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.3 0.0 M+H-H2O C11H14O -0.025743786 2-Methylbutyroylcarnitine 246.1698539 5.474733333 HMDB0000378 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 Unclassified 38.3 0.0 M+H C12H23NO4 -0.533289141 2-Propenyl 2,4-hexadienoate 153.0909753 5.490783333 91373 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 M+H C9H12O2 -0.201953411 p-Coumaryl benzoate 272.127939 5.490783333 265094 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C16H14O3 -0.711656888 Steryl sulfate 351.1584384 5.490783333 65725 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+Na, M+K C17H28O4S -4.914129698 PC(5:0/5:0)[U] 408.2126711 5.537433333 39960 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O C18H36NO8P -4.455204326 Anhydrocinnzeylanol 384.2380961 5.586183333 HMDB0036863 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.3 0.0 M+NH4 C20H30O6 0.08715169 Colestipol 304.1903558 5.6028 85371 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O, M+Na C11H28ClN5O 2.178820396 Blumenol C O-[apiosyl-(1->6)-glucoside] 505.2654705 5.6028 88049 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.3 0.0 M+H C24H40O11 2.244866345 Aliskiren 590.3544435 5.6028 HMDB0015387 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 25.8 M+K C30H53N3O6 -3.901074546 Leukotriene B4 ethanolamide 397.3058995 5.635316667 HMDB0002304 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 38.3 0.0 M+NH4 C22H37NO4 -0.487091126 5-Hydroxymethylcimetidine 307.0745008 5.650983333 1756 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+K C10H16N6OS 2.657554161 4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside 371.1267415 5.793616667 88724 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C16H19NO6S -1.111084521 Orysastrobin 409.2206239 5.8605 72365 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C18H25N5O5 3.142781394 Dihydrodioscorine 241.1908397 5.877366667 86533 Organoheterocyclic compounds Azaspirodecane derivatives Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C13H21NO2 -0.962329172 Avenanthramide 1f 331.1288376 5.877366667 HMDB0029283 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.3 0.0 M+NH4 C17H15NO5 -0.033673501 6-methoxy Naphthalene Acetic Acid 217.0858665 5.944716667 1371 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C13H12O3 -0.250558167 (-)-Sedamine 237.1959573 5.978083333 64453 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C14H21NO -0.832914702 Dicyclohexylcarbodiimide 207.1854753 6.011633333 24058 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C13H22N2 -0.484156862 cis-3-Hexenyl crotonate 186.1487768 6.0283 88360 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 M+NH4 C10H16O2 -0.467028525 Gravacridonetriol 380.1093905 6.061516667 86194 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 38.3 0.0 M+Na C19H19NO6 -2.989081415 26,27-dinor-cholest-5-en-23-yn-3beta-ol 393.2630614 6.18665 83890 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+Na, M+K C25H38O -4.384606146 Fortimicin KR 387.2012371 6.18665 71973 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+K C15H32N4O5 2.32274894 5-methyl-hexanoic acid 148.1332624 6.202516667 LMFA01020083 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.3 0.0 M+NH4 C7H14O2 0.43923195 Artelinic acid 295.1530967 6.218066667 1116 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O, M+Na C16H24O6 -2.894537817 SNAP 221.0595714 6.2338 44297 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C7H12N2O4S 2.349987765 Norizalpinin 271.059792 6.2338 HMDB0029521 Phenylpropanoids and polyketides Flavonoids Flavones 3 C10044 38.3 0.0 M+H C15H10O5 -1.139888895 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one 205.0705903 6.332866667 HMDB0041031 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.3 0.0 M+H-H2O, M+H C8H12O6 -0.293502552 Triethylene glycol diglycidyl ether 245.1381849 6.332866667 73214 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O C12H22O6 -0.63028286 NAPROXOL 217.1222215 6.34955 43877 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C14H16O2 -0.391914851 Dihydronepetalactone 186.1487483 6.416 91053 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.3 0.0 M+NH4 C10H16O2 -0.636151794 PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 868.4529237 6.465933333 HMDB0012417 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines 1 Unclassified 38.3 3.67 M+K C46H72NO10P 0.459889228 Canin 279.1225008 6.48265 67626 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C15H18O5 -0.716725784 Desmedipham 301.1180025 6.515966667 72225 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C16H16N2O4 -0.936109478 PPA 163.1116263 6.566216667 63086 Organic acids and derivatives Organic phosphonic acids and derivatives Organic phosphonic acids 2 C05682 38.3 0.0 M+H C11H14O -0.710762489 2,6-Dioxo-6-phenylhexanoate 238.107113 6.832883333 66035 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C12H12O4 -1.233406954 Dinoprost tromethamine 458.3110237 6.878166667 69483 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O C24H45NO8 -0.432238678 Isodomedin 393.2264746 6.954833333 67439 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C22H32O6 -1.76076078 Lucidenic acid J 491.2633506 6.954833333 HMDB0035700 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 38.3 0.0 M+H C27H38O8 -1.211605571 2-Acetyl-5-methylfuran 125.0597994 7.170083333 90541 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.3 0.0 M+H C7H8O2 0.753476568 1,2-Dehydroreticuline 345.1804643 7.2199 64359 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C19H21NO4 -1.281856833 Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)- 408.3102395 7.285966667 1090 Unclassified Unclassified Unclassified 3 Unclassified 38.3 0.0 M+NH4 C24H38O4 -1.526516935 3-NOR-3-OXOPANASINSAN-6-OL 205.1585719 7.352033333 44489 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O C14H22O2 -0.539171214 Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside 927.4928608 7.8755 HMDB0038346 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 38.3 0.0 M+Na C45H76O18 0.524629852 Naphthalene dihydrodiol 163.0752079 8.200533333 44785 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H-H2O, M+H C10H10O2 -0.524889959 4-Acetoxy-2-hexyltetrahydrofuran 232.1904722 8.233266667 HMDB0037398 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C12H22O3 -1.157755571 Misoprostol (free acid) 386.2896112 8.282466667 1325 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C21H36O5 -1.326731258 N-arachidonoyl glutamine 450.3322328 8.282466667 LMFA08020126 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.3 0.0 M+NH4 C25H40N2O4 -0.926494024 beta-Ionol 177.1636226 8.34725 91834 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.3 0.0 M+H-H2O, M+H C13H22O -0.795600386 2-Pentanamido-3-phenylpropanoic acid 232.1329239 8.4611 HMDB0094646 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M+H-H2O, M+H C14H19NO3 -1.129094242 Istamycin A1 440.2460359 8.535433333 71983 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+Na C18H35N5O6 -4.598289997 Morphine 303.1701721 8.624666667 HMDB0014440 Alkaloids and derivatives Morphinans Unclassified 2 C01516 38.3 0.0 M+NH4 C17H19NO3 -0.515028512 7alpha,12alpha-dihydroxy-3-oxocholest-4-en-27-oic acid 469.2943288 8.733933333 LMST04030150 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 38.3 12.8 M+Na C27H42O5 4.220550688 Dihydropteroic acid 315.1198531 8.748466667 3444 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives 2 C00921 38.3 0.0 M+H C14H14N6O3 -0.51472207 8,9-Epoxyeicosatrienoic acid 321.2419697 8.8123 HMDB0002232 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C14769 38.3 0.0 M+H C20H32O3 -1.41029163 3,3'-Dimethylbisphenol A 274.1798387 9.113066667 69977 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+NH4 C17H20O2 -1.236349444 Acetylleucyl-leucyl-norleucinal 422.2432466 9.270916667 68977 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+K C20H37N3O4 4.388067486 4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol 441.3722789 9.270916667 6233 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 38.3 0.0 M+H-H2O, M+H C30H48O2 -1.090335901 Guazatine 394.3055022 9.333816667 68758 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+K C18H41N7 -0.000608289 Guaiacol 125.0597783 9.366566667 HMDB0001398 Benzenoids Phenols Methoxyphenols 1 C15572 38.3 0.0 M+H C7H8O2 0.583152969 1,2-Diphenylhydrazine 223.0634271 9.41635 85156 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+K C12H12N2 1.198390764 1-Tridecene 200.237072 9.532 LMFA11000331 Hydrocarbons Unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons 1 Unclassified 38.3 0.0 M+NH4 C13H26 -1.12166917 eucalyptol 172.169395 9.581783333 4020 Organoheterocyclic compounds Oxanes Unclassified 2 C09844 38.3 0.0 M+NH4 C10H18O -1.270017384 Maslinic acid 3-O-b-D-glucoside 635.4146334 9.614566667 86371 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.3 0.0 M+H-H2O, M+H C36H58O9 -0.994589205 [6]-Shogaol 277.1795017 9.750433333 68362 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+H C17H24O3 -1.156537811 Corticosterone 347.2210548 9.960066667 HMDB0001547 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 3 C02140 38.3 0.0 M+H C21H30O4 -1.822731142 3-Octen-2-one 144.1382443 0.00225 HMDB0033547 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.2 0.0 M+NH4 C8H14O -0.367307725 2-Aminopropiophenone 150.0913159 0.00225 2011 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C9H11NO -0.164268126 Trigonelline 155.0813946 0.00225 HMDB0000875 Alkaloids and derivatives Unclassified Unclassified 3 C01004 38.2 0.0 M+NH4 C7H7NO2 -0.797919986 Suberic acid 157.085925 0.00225 4243 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C08278 38.2 0.0 M+H-H2O C8H14O4 0.024700163 Triacetylene 112.9786283 0.580133333 66996 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C6H2 -2.429434512 Gamma-glutamyl-Arginine 325.1601669 0.607833333 86035 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H, M+Na C11H22N6O4 -0.427551805 Putreanine 144.1257621 0.64945 HMDB0006078 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+H-H2O C7H17N2O2+ 0.295335425 Gulonolactone 196.0813787 0.663316667 3314 Organoheterocyclic compounds Lactones Gamma butyrolactones 2 C01040 38.2 0.0 M+NH4 C6H10O6 -1.038460934 8-Hydroxyalanylclavam 234.1082095 0.663316667 71633 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C8H12N2O5 -1.099162468 Pimethixene 316.113399 0.663316667 HMDB0240247 Organoheterocyclic compounds Benzothiopyrans 1-benzothiopyrans Unclassified Unclassified 38.2 0.0 M+Na C19H19NS 1.220161028 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole 188.0664817 0.67715 693 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C6H9N3O4 -0.53744906 3-propylmalic acid 194.1023897 0.67715 45908 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C02123 38.2 0.0 M+NH4 C7H12O5 0.515069475 Alanyl-Gamma-glutamate 218.1133996 0.67715 85616 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+H C8H15N3O4 -0.611560657 Dimethyl 2-oxoglutarate 192.0867138 0.704816667 HMDB0061388 Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives Unclassified Unclassified 38.2 0.0 M+NH4 C7H10O5 0.372870363 3-Pyridylamide oxime 120.0557671 0.718683333 45426 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C6H7N3O 1.046679462 3-(Uracil-1-yl)-L-alanine 182.0561889 0.718683333 66003 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C7H9N3O4 0.860933037 L-Pipecolic acid 112.075979 0.73255 HMDB0000716 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00408 38.2 0.0 M+H-H2O C6H11NO2 2.236315146 3-Methylhistidine 170.0923394 0.73255 HMDB0000479 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01152 38.2 0.0 M+H-H2O, M+H C7H11N3O2 -0.705016205 Spermidine 146.1651383 0.7464 HMDB0001257 Organic nitrogen compounds Organonitrogen compounds Amines 3 C00315 38.2 0.0 M+H C7H19N3 -0.246435897 5-Hydroxyhexanoic acid 133.0864065 0.7879 HMDB0000525 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.2 0.0 M+H C6H12O3 3.678017167 (3xi,6xi)-Cyclo(alanylvalyl) 153.1022194 0.7879 89623 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+H-H2O, M+Na C8H14N2O2 -0.117905649 Vanillyl alcohol 172.0967522 0.7879 66362 Benzenoids Phenols Methoxyphenols Unclassified C06317 38.2 0.0 M+NH4 C8H10O3 -0.438470898 Heptabarbital 273.1191825 0.7879 HMDB0015443 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C17725 38.2 0.0 M+NH4, M+Na C13H18N2O3 -0.966670499 Tetranor Iloprost 324.2167642 0.956916667 780 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C18H26O4 -0.557451902 Syndesine 288.1551751 1.056116667 93756 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+H-H2O, M+H C12H23N3O6 -0.727792267 N-Acetylindoxyl 193.0971056 1.1264 63544 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C10H9NO2 -0.276774751 SECNIDAZOLE 186.0872939 1.349116667 43554 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C7H11N3O3 -0.128397166 Ethyl sorbate 141.0909483 1.378866667 HMDB0040463 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.2 0.0 M+H C8H12O2 -0.411939868 Allyl crotonate 127.0754793 1.394083333 HMDB0032067 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.2 0.0 M+H C7H10O2 0.978100152 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- 270.0970093 1.40935 1212 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C12H12O6 -0.810780618 Indospicine 174.1237282 1.4849 3299 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C7H15N3O2 0.144649291 N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 278.0804699 1.500583333 96288 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C13H13N5 0.904714243 (R)-(-)-2-Phenylglycinol 120.0810086 1.516783333 45040 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C8H11NO 1.698812235 2-(4-Methoxyphenethyl)chromone 263.1057011 1.54975 67013 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C18H16O3 -3.409589195 Indole-5,6-quinone 165.065836 1.5667 HMDB0006779 Organoheterocyclic compounds Indoles and derivatives Unclassified 2 C05579 38.2 0.0 M+NH4 C8H5NO2 -0.121967633 N1-Methyl-4-pyridone-3-carboxamide 135.0553712 1.599716667 HMDB0004194 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C05843 38.2 0.0 M+H-H2O C7H8N2O2 0.538787668 (2R,3R)-heptane-1,2,3-triol 149.1173236 1.599716667 LMFA05000549 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 38.2 0.0 M+H C7H16O3 0.693966081 Pseudooxynicotine 196.1445107 1.632833333 HMDB0001240 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C20361 38.2 0.0 M+NH4 C10H14N2O 0.404519709 Toluene-cis-dihydrodiol 127.0755065 1.666633333 66219 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C7H10O2 1.19357129 (S)-2-aceto-2-hydroxy-butanoic acid 127.075499 1.700233333 45845 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C7H12O3 0.992285984 Pantoyllactone glucoside 310.1498325 1.716933333 HMDB0041269 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.2 0.0 M+NH4 C12H20O8 0.648245288 3-keto-n-caprylic acid 159.1015859 1.867833333 LMFA01060017 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Unclassified Unclassified 38.2 0.0 M+H C8H14O3 0.095764165 Vulgaxanthin II 323.0871825 1.900533333 HMDB0029841 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C08569 38.2 0.0 M+H-H2O C14H16N2O8 -0.572450625 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol 248.1028194 1.94945 73258 Organoheterocyclic compounds Pyridines and derivatives Pyridinium derivatives 2 C19603 38.2 0.0 M+H-H2O, M+Na C10H15N3O3 -0.158673434 4-Ethynylaniline 118.0652777 10.006 4113 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C8H7N 1.298641915 2,5-Diisopropyl-3-methylphenol 175.1480006 10.006 HMDB0029822 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.2 0.0 M+H-H2O C13H20O -0.658128771 3b,12a-Dihydroxy-5b-cholanoic acid 393.2995994 10.006 5427 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 38.2 0.0 M+H C24H40O4 -0.858580745 10-Hydroxy-2,8-decadiene-4,6-diynoic acid 177.0545063 10.02021667 HMDB0031054 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.2 0.0 M+H C10H8O3 -0.648876172 15(S)-Latanoprost 450.3205862 10.14498333 45714 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C26H40O5 -1.882241133 (2Z)-2-(phenylmethylidene)hept-6-enoic acid 234.1486148 10.16061667 HMDB0133178 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids Unclassified Unclassified 38.2 0.0 M+NH4 C14H16O2 -1.112562932 Methyl 4-phenylbutanoate 179.1065179 10.17686667 91528 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.2 0.0 M+H C11H14O2 -0.775907927 N-gamma-linolenoyl dopamine 414.2993705 10.24085 LMFA08020273 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.2 0.0 M+H C26H39NO3 -2.177760156 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate 343.2627796 10.25611667 70804 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C23H36O3 -1.046763087 (1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol 186.1851261 10.28776667 HMDB0035417 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.2 0.0 M+NH4 C11H20O -0.681961287 heptadecanal 272.2944717 10.48696667 LMFA06000097 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 38.2 0.0 M+NH4 C17H34O -1.25659159 Brassinolide 498.3785594 10.58235 HMDB0034081 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 C11049 38.2 0.0 M+NH4 C28H48O6 -0.739899539 Myrsinone 295.1901069 10.64501667 95124 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.2 0.0 M+H C17H26O4 -0.947914494 Oleamide 299.3053591 10.67678333 LMFA08010004 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 C19670 38.2 0.0 M+NH4 C18H35NO -1.177324303 Millefin 389.1363219 10.75773333 HMDB0036689 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.2 0.0 M+K C19H26O6 0.643214627 N-palmitoyl glutamic acid 386.2895931 10.77416667 75469 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.2 0.0 M+H C21H39NO5 -1.315027531 13-Hydroxyabscisic acid 281.1380312 10.90575 HMDB0036095 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.2 0.0 M+H C15H20O5 -1.13874948 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one 189.1636188 10.96895 87909 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.2 0.0 M+H-H2O C14H22O -0.76766794 gamma-Glutamyl-S-methylcysteine sulfoxide 281.0807812 10.96895 HMDB0031863 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0345 M+H, M+Na C9H16N2O6S 2.133635302 Gossypetin 7-methyl ether 8-acetate 357.0623378 10.96895 51668 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.2 0.0 M+H-H2O C18H14O9 4.929597981 PG(18:0/22:4(7Z,10Z,13Z,16Z)) 865.5321741 11.10941667 LMGP04010883 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols 1 Unclassified 38.2 0.0 M+K C46H83O10P -4.07642579 14S-Methyl-1-octadecene 284.3308604 11.1524 97436 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 38.2 0.0 M+NH4 C19H38 -1.188001133 Tributyl phosphate 267.1716284 11.53576667 70062 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C12H27O4P -1.292548457 LysoPC(18:1(11Z)) 522.3549226 11.72598333 HMDB0010385 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 3 C04230 38.2 0.0 M+H C26H52NO7P -0.946490159 (2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one 219.1741272 11.92551667 87259 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.2 0.0 M+H-H2O C15H24O2 -0.908487882 Desethylene-N-acetylnorfloxacin 353.1615681 12.00703333 1603 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C16H18FN3O4 -1.168722025 m-Salicylic acid 121.0285131 12.11975 3262 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C00587 38.2 0.0 M+H-H2O C7H6O3 0.777173399 Stearic acid 267.2679341 13.56408333 LMFA01010018 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C01530 38.2 0.0 M+H-H2O C18H36O2 -1.083456941 Behenoyl-EA 366.3726233 13.59376667 3727 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.2 0.0 M+H-H2O C24H49NO2 -1.091037848 JWH 309 435.2426823 14.35463333 85205 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C30H27NO -0.977368253 2-methyl Benzamideoxime 133.0760035 14.67421667 45424 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C8H10N2O -0.141577849 4-Hexen-3-one 116.1071879 15.12908333 90551 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.2 0.0 M+NH4 C6H10O 2.012827892 2,4,6-Triaminotoluene 138.102496 15.54306667 71188 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C7H11N3 -0.567800323 2'-Aminoacetophenone 118.0653463 2.0298 HMDB0032630 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.2 0.0 M+H-H2O C8H9NO 1.6337566 2-Methylbenzyl alcohol 140.1069404 2.125966667 66608 Benzenoids Benzene and substituted derivatives Benzyloxycarbonyls 2 C07213 38.2 0.0 M+NH4 C8H10O -0.410141818 4-Amino-o-cresol 141.1021523 2.142083333 34511 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C7H9NO -0.708356179 3-AMINOBENZAMIDE 154.0973889 2.289266667 44363 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C7H8N2O -0.73107572 Samin 268.1177218 2.322666667 93538 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C13H14O5 -0.908683735 Succinylcarnitine 262.1282586 2.372016667 HMDB0061717 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 Unclassified 38.2 0.0 M+H C11H19NO6 -0.977179767 N-Isopropyl-p-toluamide 195.1491383 2.404266667 2110 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C11H15NO -0.289566714 desethyletomidate 234.123629 2.487916667 2645 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C12H12N2O2 -0.343108994 2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol 289.0916061 2.57025 HMDB0132663 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.2 0.0 M+H C12H16O8 -0.651883765 1-nitronaphthalene 191.0813541 2.5869 HMDB0062188 Benzenoids Naphthalenes Nitronaphthalenes 2 C14040 38.2 0.0 M+NH4 C10H7NO2 -0.866482793 3-Amino-4-hydroxybenzoic acid 171.0763299 2.620233333 69314 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C7H7NO3 -0.579657259 AAPH 237.1231078 2.685183333 64879 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C8H18N6 3.305823655 o-Hydroxylaminobenzoate 171.0763516 2.848133333 71158 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C7H7NO3 -0.438148691 Bis(2,3-epoxycyclopentyl)ether 183.1015391 2.8818 73056 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 10.8 M+H C10H14O3 -0.173960718 Naptalam 292.0958511 2.8818 72631 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C18H13NO3 -3.327546439 3S-methyl-2-oxo-pentanoic acid 148.0970448 2.982433333 LMFA01020275 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C00671 38.2 0.0 M+NH4 C6H10O3 1.73073053 D-Alanyl-D-alanine 161.0922719 2.999233333 HMDB0003459 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00993 38.2 0.0 M+H C6H12N2O3 1.269351185 Methyl pentanoate 117.0912233 3.576033333 HMDB0031207 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.2 0.0 M+H C6H12O2 1.871589271 3-Ethylcatechol 156.1019003 3.69525 66508 Benzenoids Phenols Benzenediols 2 C06728 38.2 0.0 M+NH4 C8H10O2 -0.034804053 1-methylhistidine 152.0818142 3.882683333 3741 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01152 38.2 0.0 M+H-H2O C7H11N3O2 -0.143004546 AFMK 247.1073746 3.983116667 44788 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C05642 38.2 0.0 M+H-H2O C13H16N2O4 -1.303224715 Furaneol 4-(6-malonylglucoside) 394.1342799 4.146366667 HMDB0029778 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.2 0.0 M+NH4 C15H20O11 -0.284773364 3,7-Dimethyl-2E-octene-1,8-dioic acid 218.1388893 4.163 96876 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C10H16O4 1.023153328 Arginyl-Glutamine 341.1342819 4.2137 85622 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+K C11H22N6O4 2.881138485 D-Ornithine 115.0868425 4.278366667 6910 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00515 38.2 0.0 M+H-H2O C5H12N2O2 1.91645371 SULFAMETER 298.0967692 4.34365 43486 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C11H12N4O3S -0.241305552 Lycoramine 328.1320366 4.359933333 69380 Unclassified Unclassified Unclassified 3 Unclassified 38.2 0.0 M+K C17H23NO3 3.751874713 (2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium 319.138991 4.393 HMDB0136315 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.2 0.0 M+Na C15H22NO5+ -0.092803776 PI(17:1(10Z)/0:0) 602.3325779 4.491716667 LMGP06050003 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 38.2 7.23 M+NH4 C26H49O12P 4.430559442 Seryllysine 216.1343373 4.5244 HMDB0029044 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+H-H2O C9H19N3O4 0.297887034 Phosphoribosyl formamidocarboxamide 384.092482 4.5244 HMDB0001439 Nucleosides, nucleotides, and analogues Imidazole ribonucleosides and ribonucleotides 1-ribosyl-imidazolecarboxamides 2 C04734 38.2 0.0 M+NH4 C10H15N4O9P 2.709399463 O-7-Angelylheliotridine 255.1702535 4.540083333 68213 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C13H19NO3 -0.276052664 Uplandicine 396.1401268 4.635566667 68316 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C17H27NO7 -4.993344621 7,8-Dihydroxycoumarin 196.0605382 4.650983333 65905 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C9H6O4 0.584284346 Humilixanthin 344.1451395 4.666383333 HMDB0039123 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C08548 38.2 0.0 M+NH4 C14H18N2O7 -0.266498582 Sisomicin 430.266045 4.682216667 43332 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C19H37N5O7 0.077650287 6-({2-[(acetyloxy)methyl]-3,5,6-trihydroxyoxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 399.1119933 4.7151 HMDB0125229 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.2 0.0 M+H C14H22O13 -3.325476715 (1S,3R,4R)-8,10-Dihydroxyfenchone 10-O-b-D-glucoside 364.196207 4.731233333 89090 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.2 0.0 M+NH4 C16H26O8 -1.116144856 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, mono(2-hydroxyethyl) ester 378.1296816 4.779683333 1545 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C17H16N2O7 0.292200777 1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid 276.134409 4.856283333 1674 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C14H19N3O4 0.481558115 DHAP(8:0) 319.0923641 4.885333333 62423 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.2 0.0 M+Na C11H21O7P 2.207985666 Oxitropium 370.1409453 4.885333333 1676 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C19H25NO4 -1.72427695 Ro 18-5364 429.1958578 4.916283333 71008 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C22H25N3O3S 0.898955641 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone 336.1076754 4.9501 LMPK12140600 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C16H14O7 -0.323403788 2-Amino-5-nitrobenzophenone 260.1030706 4.983366667 1570 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C13H10N2O3 0.425128627 Mono-methyl-adipate 143.0703764 4.999783333 HMDB0059722 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.2 0.0 M+H-H2O C7H12O4 0.661133183 Capillanol 192.1383281 5.015383333 71903 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C12H14O 0.215431349 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-7-(sulfooxy)-, endo- glucuronide 536.27179 5.031616667 3146 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C25H34N4O8 0.57964901 Fukiic acid 273.0617905 5.047433333 HMDB0029496 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 38.2 0.0 M+H C11H12O8 4.766604176 PMEG 307.0924757 5.047433333 68899 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C8H12N5O5P 3.615150855 Tryptophyl-Glycine 262.1186929 5.0956 HMDB0029083 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+H C13H15N3O3 0.287564735 O-Demethylfonsecin 294.09705 5.223183333 89448 Organoheterocyclic compounds Naphthopyrans Naphthopyranones Unclassified Unclassified 38.2 0.0 M+NH4 C14H12O6 -0.592894447 1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose 378.2119656 5.223183333 98324 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 38.2 0.0 M+NH4 C17H28O8 -0.771114274 Capecitabine 360.1555845 5.272583333 HMDB0015233 Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides Unclassified 2 C12650 38.2 0.0 M+H C15H22FN3O6 -2.660650416 1-epi-Fortimicin B 387.201045 5.272583333 71974 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C15H32N4O5 1.771230555 Meperidine (pethidine) 265.1908278 5.3049 1127 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C15H21NO2 -0.917000504 (6E,8E)-4,6,8-Megastigmatriene 177.1637766 5.348566667 HMDB0035180 Hydrocarbons Unsaturated hydrocarbons Branched unsaturated hydrocarbons Unclassified Unclassified 38.2 0.0 M+H C13H20 -0.002460089 Tropacocaine 263.1752516 5.364233333 68627 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C15H19NO2 -0.623155886 2-Phthalimidoglutaric acid 295.0924519 5.364233333 2816 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C13H11NO6 -0.038720637 4-Methylumbelliferone 194.0812035 5.3953 HMDB0059622 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins 3 C03081 38.2 0.0 M+NH4 C10H8O3 0.192401313 Deacetylisovaltrate 381.1905429 5.41175 91058 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.2 0.0 M+H C20H28O7 -0.622741455 Homovanillin 184.0968246 5.4597 HMDB0005175 Benzenoids Phenols Methoxyphenols 2 C05581 38.2 0.0 M+NH4 C9H10O3 0.029436835 Dibutyl malate 247.1539467 5.474733333 HMDB0031696 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Unclassified Unclassified 38.2 0.0 M+H C12H22O5 -0.217595925 di-Hydroxymelatonin 265.1181163 5.474733333 HMDB0061136 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 38.2 0.0 M+H C13H16N2O4 -0.632873451 Phenylacetonitrile 118.0653503 5.490783333 63616 Benzenoids Benzene and substituted derivatives Benzyl cyanides 2 C16074 38.2 0.0 M+H C8H7N 1.91918991 2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol 340.1025838 5.490783333 HMDB0136090 Phenylpropanoids and polyketides Flavonoids Flavans Unclassified Unclassified 38.2 0.0 M+NH4 C15H14O8 -0.338923696 5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside 535.1443735 5.490783333 LMPK12113043 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O C25H28O14 -0.441639903 Diethyl adipate 203.1277656 5.50615 70161 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C10H18O4 -0.098370135 N-Ac-Tyr-Val-Ala-Asp-CHO 510.2559431 5.569416667 45363 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C23H32N4O8 0.210475498 3'-Azido-3'-deoxy-5'- O-beta-D-glucopyranuronosylthymidine 466.1199604 5.586183333 HMDB0060752 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2',3'-dideoxyribonucleosides Unclassified Unclassified 38.2 1.49 M+Na C16H21N5O10 4.282677727 (3-Methylphenyl)methyl acetate 165.0909459 5.6028 HMDB0041473 Benzenoids Benzene and substituted derivatives Benzyloxycarbonyls 2 C07216 38.2 0.0 M+H C10H12O2 -0.36669111 Propanoic acid, 2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]- 266.1021323 5.697833333 2175 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C13H12O5 -0.671914896 6-Methoxy-4a-methyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone 262.179939 5.776783333 43691 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C16H20O2 -0.886351258 2-Heptyl-3-hydroxy-quinolone 277.1908939 5.776783333 69243 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C16H21NO2 -0.619468783 3-(2-Furanylmethyl)-1H-pyrrole 130.0652057 5.910883333 94552 Organoheterocyclic compounds Pyrroles Substituted pyrroles Unclassified Unclassified 38.2 0.0 M+H-H2O C9H9NO 0.544055701 FENAMISAL 247.1074221 5.910883333 43838 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C13H11NO3 -1.295048387 Euparotin acetate 401.1593675 5.910883333 67694 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O, M+H C22H26O8 -0.267830972 1-pentadecanoyl-glycero-3-phosphate 414.2602692 5.9279 HMDB0062324 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 38.2 0.0 M+NH4 C18H37O7P -3.145971894 3-Hydroxy-beta-ionone 191.1429615 5.944716667 HMDB0036821 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.2 0.0 M+H-H2O C13H20O2 -0.384863269 Betavulgaroside VII 833.3941461 5.994866667 HMDB0033427 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.2 19.9 M+Na C41H62O16 1.406051055 Omega-Carboxy-trinor-leukotriene B4 339.178928 6.011633333 HMDB0013032 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.2 0.0 M+H-H2O, M+H C18H26O6 -4.157430303 4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate 477.1022149 6.061516667 66269 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C14H21NO14S 0.248323692 Erythrityl Tetranitrate 340.9615322 6.107866667 HMDB0015551 Organic oxygen compounds Organic oxoanionic compounds Organic nitrates Unclassified Unclassified 38.2 0.0 M+K C4H6N4O12 0.504816133 Auramine 306.1366217 6.154283333 72921 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C17H21N3 -0.314544112 Geranyl tiglate 237.1846684 6.1705 LMFA07010898 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.2 0.0 M+H C15H24O2 -1.008096722 Istamycin C0 385.220583 6.202516667 71990 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C16H34N4O4 -1.676960642 Biotripyrrin-a 504.15306 6.218066667 HMDB0003323 Organoheterocyclic compounds Pyrroles Substituted pyrroles Unclassified Unclassified 38.2 2.72 M+K C25H27N3O6 -0.179785047 FPL64176 348.1590402 6.3162 69688 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C22H21NO3 -1.093860269 20-epi-20-A4-NeuroP 397.1785904 6.3162 LMFA04010451 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 38.2 0.528 M+K C22H30O4 2.855490599 2,3,9,10-Tetrahydroxyberbine 317.1493339 6.332866667 69431 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C17H17NO4 -0.834662334 Bafetinib 594.291709 6.332866667 HMDB0240206 Benzenoids Benzene and substituted derivatives Anilides Unclassified Unclassified 38.2 0.0 M+NH4 C30H31F3N8O 1.025920598 5,7-Dihydroxy-4'-methoxyflavan 290.1397499 6.34955 LMPK12020263 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 2.98 M+NH4 C16H16O4 3.9154263 [6]-Gingerdiol 3-acetate 356.2431761 6.366616667 95051 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.2 0.0 M+NH4 C19H30O5 0.07843663 Dihydro-alpha-ionone 177.1636725 6.48265 92801 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.2 0.0 M+H-H2O C13H22O -0.538795947 Monodesethylamiodarone 621.0101633 6.48265 950 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C22H23I2NO3 -0.666406031 (S)-10,16-Dihydroxyhexadecanoic acid 306.2635714 6.49935 HMDB0037798 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C08285 38.2 0.0 M+NH4 C16H32O4 -1.088171794 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone 313.1066735 6.515966667 LMPK12120327 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H-H2O, M+H C18H18O6 -1.140754496 Capsidiol 219.1740633 6.582466667 HMDB0002352 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09627 38.2 0.0 M+H-H2O C15H24O2 -1.178862793 Petasitenine 382.1855313 6.7273 68275 Organoheterocyclic compounds Azaspirodecane derivatives Unclassified Unclassified C10359 38.2 0.0 M+H-H2O, M+H C19H27NO7 -0.586004231 N-stearoyl arginine 465.3206807 6.742183333 75518 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.2 0.0 M+K C23H46N4O3 1.246121103 Androsterone 308.2580126 6.788383333 HMDB0000031 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 3 C00523 38.2 0.0 M+NH4 C19H30O2 -1.354675896 LPIM1(19:2(9Z,12Z)/0:0) 790.3951566 6.878166667 LMGP15040008 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositolglycans Unclassified Unclassified 38.2 0.0 M+NH4 C34H61O17P -4.280486117 Menthone 1,3-glyceryl ketal 246.206128 7.004516667 HMDB0040004 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.2 0.0 M+NH4 C13H24O3 -1.061451352 Olmesartan 464.2394863 7.070766667 HMDB0014420 Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Unclassified Unclassified 38.2 0.0 M+NH4 C24H26N6O3 -2.191792688 Rolipram 293.1855867 7.170083333 45307 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C16H21NO3 -1.389799088 Flumazenil acid 298.0607533 7.269383333 2726 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+Na C13H10FN3O3 3.320067326 Homatropine 293.1855271 7.335566667 3162 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C16H21NO3 -1.60631047 6-Ketomyristic acid 260.2217305 7.552183333 HMDB0030982 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.2 0.0 M+NH4 C14H26O3 -1.196114092 Anhalonine 238.1434989 7.650933333 71291 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H C13H19NO3 -1.142700447 o-Methylbenzhydroxyacetic acid 274.1434104 7.666516667 1666 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C16H16O3 -1.403864463 Pteroside A 411.2009886 7.695566667 87178 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.2 0.0 M+H C21H30O8 -0.867336411 Longifolonine 315.1334528 7.79655 67811 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+NH4 C17H15NO4 -1.617868995 Guanethidine 237.1482523 7.891566667 515 Organic nitrogen compounds Organonitrogen compounds Guanidines Unclassified C07036 38.2 0.0 M+K C10H22N4 3.267157681 7C-aglycone 299.1273901 7.941333333 7073 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.2 0.0 M+H C18H18O4 -1.326161116 4-Coumaryl alcohol 163.0388128 7.957766667 HMDB0003654 Phenylpropanoids and polyketides Cinnamyl alcohols Unclassified 3 C02646 38.2 0.0 M+H C9H6O3 -0.972874987 Propanoylagmatine 225.1118629 7.974333333 65794 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+K C8H18N4O 3.457693658 3-Allyl-1-cyclohexene 123.1169014 8.0225 HMDB0061784 Hydrocarbons Unsaturated hydrocarbons Olefins Unclassified Unclassified 38.2 0.0 M+H C9H14 0.610416375 1,3-Diisopropylbenzene 180.1745153 8.03795 85265 Benzenoids Benzene and substituted derivatives Cumenes Unclassified Unclassified 38.2 0.0 M+NH4 C12H18 -0.991627726 3-hydroxypentadecanoyl carnitine 402.3209606 8.103666667 HMDB0061641 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.2 0.0 M+H C22H43NO5 -1.094592155 Bisphenol A 229.1221013 8.233266667 69602 Benzenoids Benzene and substituted derivatives Diphenylmethanes 2 C13624 38.2 0.0 M+H C15H16O2 -0.89821397 xi-8-Hydroxyhexadecanedioic acid 285.2057243 8.314966667 HMDB0037831 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.2 0.0 M+H-H2O, M+H, M+NH4 C16H30O5 -1.030750923 5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside 447.1281179 8.331033333 LMPK12100039 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+H, M+Na, M+H-H2O C22H22O10 -1.020938175 Glandulone B 245.1169968 8.398016667 93221 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.2 0.0 M+H C15H16O3 -0.91765839 LysoPE(0:0/14:0) 464.2175389 8.44615 62258 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 38.2 0.0 M+K C19H40NO7P 0.332879057 Deoxycorticosterone 313.2157159 8.549466667 HMDB0000016 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 3 C03205 38.2 0.0 M+H-H2O C21H30O3 -1.485936955 3-hydroxytetradecanoylcarnitine 388.3052899 8.719533333 LMFA07070045 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 38.2 0.0 M+H C21H41NO5 -1.187552817 Di(2-ethylhexyl) adipate 388.3416054 8.748466667 69902 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C14240 38.2 0.0 M+NH4 C22H42O4 -1.431101315 trans- and cis-2,4,8-Trimethyl-3,7-nona-dien-2-ol 165.1636527 9.14445 HMDB0032542 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.2 0.0 M+H-H2O C12H22O -0.682792221 Sclareol 309.2783527 9.317566667 HMDB0036827 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 C09183 38.2 0.0 M+H C20H36O2 -1.473017346 (4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 253.1794939 9.366566667 HMDB0033149 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.2 0.0 M+H C15H24O3 -1.297312145 Linalyl butyrate 242.2111201 9.3831 HMDB0030427 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.2 0.0 M+NH4 C14H24O2 -1.496148453 Avocadyne 302.2686079 9.598433333 HMDB0035473 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.2 0.0 M+NH4 C17H32O3 -1.275240312 9,12,13-TriHOME 331.2473635 9.750433333 HMDB0004708 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C14833 38.2 0.0 M+H C18H34O5 -1.626406904 (-)-Matairesinol 376.1748934 9.864783333 HMDB0035698 Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans 2 C10682 38.2 0.0 M+NH4 C20H22O6 -1.592965697 [(5-oxo-1,7-diphenylheptan-3-yl)oxy]sulfonic acid 380.1521893 9.864783333 HMDB0134658 Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Unclassified Unclassified 38.2 5.18 M+NH4 C19H22O5S -1.190371997 4-Nitrotoluene 120.0445603 0.00225 70025 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C7H7NO2 1.240937337 Gentisate aldehyde 121.0285937 0.00225 HMDB0004062 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C05585 38.1 0.0 M+H-H2O C7H6O3 1.360965639 (+)-1(10),4-Cadinadiene 205.1949573 0.00225 HMDB0035084 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 2 C06394 38.1 0.0 M+H C15H24 -0.587346791 Nitrosobenzene 108.0446968 0.020566667 44790 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C6H5NO 2.864566199 3-keto stearic acid 299.2577582 0.020566667 35754 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M+H C18H34O3 -1.0501179 4,6-Heptadiyne-1,3-diol 107.0494559 0.053916667 93572 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.1 0.0 M+H-H2O C7H8O2 2.536295973 3-Methyl-2-oxovaleric acid 113.0599565 0.070583333 HMDB0000491 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 1 C03465 38.1 0.0 M+H-H2O C6H10O3 1.926476325 D-Xylonate 167.0554272 0.523333333 63142 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00502 38.1 0.0 M+H C5H10O6 2.48579528 N-Phosphohypotaurocyamine 214.0043663 0.566283333 66013 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C3H10N3O5PS -0.967594487 2-Iodophenol methyl ether 216.9503981 0.580133333 66002 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O, M+H C7H7IO -2.036658588 Homo-L-arginine 189.1345887 0.64945 HMDB0000670 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C01924 38.1 0.0 M+H C7H16N4O2 -0.07185461 L-Cladinose 194.1386998 0.663316667 69247 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C8H16O4 0.08656138 L-Canaline 152.1049384 0.67715 HMDB0012251 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C08270 38.1 0.0 M+H-H2O, M+NH4 C4H10N2O3 1.759218491 2-Hydroxyphenylacetic acid 170.0810704 0.718683333 44707 Benzenoids Benzene and substituted derivatives Phenylacetic acids 2 C05852 38.1 0.0 M+NH4 C8H8O3 -0.6526132 Quinone 126.0550603 0.7464 HMDB0003364 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified C00472 38.1 0.0 M+H, M+NH4 C6H4O2 2.577796435 Methyridine 155.1177962 0.774083333 72205 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C8H11NO -0.680956565 3,5-Dihydroxyphenylglyoxylate 200.0553611 0.774083333 63849 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C8H6O5 0.06768979 4-Amino-4-deoxychorismic acid 226.0707092 0.7879 3363 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C10H11NO5 -1.287025894 Metaldehyde 199.0963987 0.9714 72518 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O, M+Na C8H16O4 -0.046782004 2-Oxosuberate 189.0757422 0.986166667 71247 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C8H12O5 -0.041213465 1-Methyladenine 150.0772502 1.0006 62374 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified C02216 38.1 0.0 M+H C6H7N5 -1.150423742 Arecaidine 159.1128252 1.0006 HMDB0030352 Alkaloids and derivatives Unclassified Unclassified Unclassified C10128 38.1 30.7 M+NH4 C7H11NO2 0.149589901 1-(p-Hydroxyphenyl)ethylamine 120.0810088 1.01445 65983 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C8H11NO 1.69988855 (3-Phenylpropionyl)glycine methyl ester 239.1388701 1.056116667 6387 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C12H15NO3 -0.67271881 7-hydroxy-5-heptynoic acid 125.059895 1.070083333 LMFA01050262 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.1 0.0 M+H-H2O, M+H C7H10O3 1.330740072 Noradrenochrome 148.0392621 1.084133333 HMDB0013030 Organoheterocyclic compounds Indoles and derivatives Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C8H7NO3 -0.258907935 2-Methylindoline 151.122967 1.084133333 812 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C9H11N -0.059167205 11-Deoxytetrodotoxin 304.1138458 1.112483333 73511 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C11H17N3O7 -0.265808842 Tyrosyl-Glutamate 328.1498532 1.184816667 HMDB0029104 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 38.1 0.0 M+NH4 C14H18N2O6 -1.478993687 4-Methylbenzyl alcohol 140.1069135 1.363833333 HMDB0041609 Benzenoids Benzene and substituted derivatives Benzyl alcohols 2 C06757 38.1 0.0 M+NH4 C8H10O -0.630190395 ACEXAMIC ACID 191.1389992 1.363833333 44105 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C8H15NO3 -0.113514707 SB 200646 305.0799106 1.363833333 69188 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+K C15H14N4O -0.032221347 Methylpyrazine 112.0872128 1.42375 89003 Organoheterocyclic compounds Diazines Pyrazines 1 Unclassified 38.1 0.0 M+NH4 C5H6N2 3.073378102 Paromamine 306.1656428 1.42375 65643 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C12H25N3O7 -0.987286176 6-Dimethylaminopurine 164.0931097 1.533116667 5460 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 38.1 0.0 M+H C7H9N5 0.23291912 4-O-Methylgallic acid 202.0709684 1.533116667 HMDB0013198 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 38.1 0.0 M+NH4 C8H8O5 -0.165886762 alpha-Ionol O-[arabinosyl-(1->6)-glucoside] 511.2509466 1.533116667 93385 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.1 0.0 M+Na C24H40O10 -0.863368399 6-N,4-diphenyl-1,4-dihydro-1,3,5-triazine-2,6-diamine 304.0958363 1.8003 96297 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+K C15H15N5 -0.253612845 N-Phenylacetylaspartic acid 269.1130487 1.867833333 HMDB0029355 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M+NH4 C12H13NO5 -0.594864633 beta-Caryophyllene 205.1950353 1.884433333 HMDB0036792 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 2 C09629 38.1 0.0 M+H C15H24 -0.205036006 (+)-gamma-Hydroxy-L-homoarginine 222.15671 1.94945 66885 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C7H16N4O3 3.155325003 Diethyl succinate 157.085956 1.98175 89562 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.1 0.0 M+H-H2O C8H14O4 0.202720978 Dihydromacarpine 394.1273126 1.98175 64389 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C22H19NO6 -3.055560234 Geranylhydroquinone 247.168946 10.006 64006 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C16H22O2 -1.260816642 3,4,5-TRIMETHOXYCINNAMALDEHYDE 223.0962906 10.02021667 44543 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C12H14O4 -0.877112899 Zeranol 323.1848225 10.20936667 HMDB0032702 Phenylpropanoids and polyketides Macrolides and analogues Unclassified Unclassified C14752 38.1 0.0 M+H C18H26O5 -1.483186509 Gibberellin A113 364.2110697 10.28776667 HMDB0032819 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.1 0.0 M+NH4 C20H26O5 -2.252545428 Estriol 289.179433 10.33101667 HMDB0000153 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 2 C05141 38.1 0.0 M+H C18H24O3 -1.346660707 Ricinenic acid 263.2366318 10.37563333 LMFA01030117 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 38.1 0.0 M+H-H2O C18H32O2 -1.107081141 alpha-Santalyl acetate 263.2002345 10.6921 HMDB0037209 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00124 38.1 0.0 M+H C17H26O2 -1.2281184 3beta-Acetoxy-4-oplopanone 297.2057433 10.6921 LMPR0103350001 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 38.1 0.0 M+H-H2O, M+H C17H28O4 -0.860230906 10Z-nonadecenoic acid 314.3047891 11.00068333 74032 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M+NH4 C19H36O2 -1.913027493 Ethyl (2E,4E,7Z)-Decatrienoate 195.1378255 11.10941667 HMDB0035375 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.1 0.0 M+H C12H18O2 -0.673727204 PS(19:0/22:4(7Z,10Z,13Z,16Z)) 892.5505478 11.10941667 78142 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 38.1 0.0 M+K C47H84NO10P 4.809397513 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione 221.1170103 11.1524 89065 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.1 0.0 M+H-H2O C13H18O4 -0.884213547 Harmalan 223.0634578 11.18393333 86538 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 38.1 0.0 M+K C12H12N2 1.364920189 alpha-Terpineol acetate 179.1429061 11.1999 HMDB0032051 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C12300 38.1 0.0 M+H-H2O C12H20O2 -0.691016499 (E,E)-2,4-Decadienoic isobutylamide 241.2270982 11.23268333 LMFA08020162 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.1 0.0 M+NH4 C14H25NO -1.531399421 Cortexolone 329.2106292 11.36115 5088 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05488 38.1 0.0 M+H-H2O C21H30O4 -1.421033613 Alizapride 333.2031959 11.37685 85516 Organoheterocyclic compounds Benzotriazoles Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C16H21N5O2 -0.490343811 Tricycloekasantal 179.1428984 11.80243333 87484 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.1 0.0 M+H C12H18O -0.80403542 OSTHOL 262.1434797 11.86308333 44022 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C15H16O3 -1.188980305 cis-7-Hexadecenoic Acid methyl ester 269.2471783 12.10365 44957 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C17H32O2 -1.224134201 Tridecyl phloretate 349.2732178 12.33828333 90761 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.1 0.0 M+H C22H36O3 -1.446174951 Vaccenic acid 300.2893553 12.87453333 3407 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C08367 38.1 0.0 M+NH4 C18H34O2 -1.241940582 TG(10:0/13:0/8:0) 569.4769938 13.8941 HMDB0071165 Lipids and lipid-like molecules Glycerolipids Triradylcglycerols 1 Unclassified 38.1 0.0 M+H C34H64O6 -1.006874167 2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- 169.1697799 15.3949 2753 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C10H17N -0.960603761 PA(O-20:0/0:0) 470.3625757 15.6893 LMGP10060003 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 38.1 0.0 M+NH4 C23H49O6P 4.585767451 Ethyladipic acid 175.0965056 2.125966667 HMDB0002023 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M+H C8H14O4 0.116290918 2-Phenyl-1,3-propanediyl monocarbamate 178.0861819 2.174483333 2657 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C10H13NO3 -0.375110542 2-Diethylaminoethanol 100.1123388 2.305933333 89647 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 38.1 0.0 M+H-H2O C6H15NO 2.245476734 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate 184.0604049 2.437616667 63862 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C8H9NO4 -0.160263317 Hypoglycin B 271.128601 2.454333333 66881 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 C08280 38.1 0.0 M+H C12H18N2O5 -0.914765868 trans-alpha-octenoic acid 160.1331364 2.487916667 73797 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M+NH4 C8H14O2 -0.484029488 N-Nitrosodi-n-propylamine 113.107571 2.57025 72997 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C6H14N2O 1.891793911 6-Methoxy-2(3H)-benzoxazolone 183.0765461 2.6534 HMDB0036582 Organoheterocyclic compounds Benzoxazoles Benzoxazolones Unclassified Unclassified 38.1 0.0 M+NH4 C8H7NO3 0.7725568 N(6)-[(Indol-3-yl)acetyl]-L-lysine 304.1654595 2.814283333 66141 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C16H21N3O3 -0.357744107 4'-Methylacetophenone 152.1069661 2.865033333 HMDB0032608 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.1 0.0 M+NH4 C9H10O -0.181841905 5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-ethylbarbituric acid 284.1238759 2.94865 1818 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C12H14N2O5 -0.831261442 2,6-nonadienal 156.1382923 2.999233333 LMFA06000046 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 C08499 38.1 0.0 M+NH4 C9H14O 0.012206943 Tenuazonic acid 215.1389293 3.118266667 HMDB0036074 Organoheterocyclic compounds Pyrrolines Unclassified Unclassified C08511 38.1 0.0 M+NH4 C10H15NO3 -0.454673253 6,7-Dimethoxyisoquinoline 207.112684 3.253983333 67621 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C11H11NO2 -0.63552316 Menadione 190.0861627 3.2875 43241 Benzenoids Naphthalenes Naphthoquinones 2 C05377 38.1 0.0 M+NH4 C11H8O2 -0.536640802 (Ac)2-L-Lys-D-Ala-D-Ala 373.207783 3.37185 65956 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C16H28N4O6 -1.015781135 Ethyl (2E,6Z)-dodecadienoate 207.1742515 3.456883333 87348 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.1 0.0 M+H-H2O C14H24O2 -0.402398775 6-(3,3-dimethyloxirane-2-carbonyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 310.1129874 3.507883333 HMDB0128931 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 M+NH4 C11H16O9 -0.925309093 p-Methoxycinnamic acid ethyl ester 224.127942 4.096833333 68349 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C12H14O3 -0.862665698 Hydroxy-lacosamide 265.1180414 4.278366667 HMDB0061146 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M+H-H2O C13H18N2O5 -0.857840984 Norfluoxetine glucuronide 472.1576318 4.393 HMDB0061170 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 M+H C22H24F3NO7 -0.278821923 Kukoamine A 513.3070378 4.40975 71818 Benzenoids Phenols Benzenediols Unclassified C17615 38.1 0.0 M+H-H2O C28H42N4O6 -0.205665691 Mexacarbate 223.1441461 4.426716667 72712 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C12H18N2O2 0.188296703 Tyrosyl-Gamma-glutamate 292.1294045 4.426716667 HMDB0029119 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M+H-H2O C14H19N3O5 0.718132098 PC(3:0/3:0) 387.1872925 4.426716667 39949 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 38.1 0.0 M+NH4 C14H28NO8P -4.839424464 Gamma-glutamyl-Phenylalanine 276.1344244 4.4433 86048 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C14H19N3O4 0.534109113 9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione 350.2128916 4.50795 70388 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C20H25FO3 0.882634958 3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3S-hydroxybutanoate 455.2136178 4.5244 LMFA03120060 Lipids and lipid-like molecules Fatty Acyls Acyltrehaloses Unclassified Unclassified 38.1 0.0 M+H C19H34O12 2.894846596 Erbstatin Analog 195.0653429 4.666383333 45228 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C10H10O4 0.812639819 N-Hydroxy-L-tyrosine 215.1025997 4.6987 63613 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 38.1 0.0 M+NH4 C9H11NO4 -0.170912223 9,12-dioxo-dodecanoic acid 246.1699779 4.871 LMFA01060092 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.1 0.0 M+NH4 C12H20O4 -0.029415738 3,4,5-trihydroxy-6-[(2Z)-3-oxo-2-(phenylmethylidene)propoxy]oxane-2-carboxylic acid 339.1075102 4.885333333 HMDB0133622 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.1 0.0 M+H C16H18O8 0.195756654 Deoxyribose triphosphate 356.9531639 4.932916667 69447 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C5H13O13P3 -1.198572664 N-(3-hydroxy-decanoyl)-homoserine lactone 289.2120873 5.031616667 LMFA08030037 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.1 0.0 M+NH4 C14H25NO4 -0.355902893 n-Butyl-2-cyanoacrylate 171.1128292 5.063266667 69571 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C8H11NO2 0.163986261 Desmosine 526.2872503 5.079183333 5554 Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Unclassified Unclassified 38.1 0.0 M+H C24H39N5O8 0.21067835 Latanoprost (free acid)-d4 433.2293804 5.111566667 96570 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+K C23H30D4O5 1.245657203 Uridine monophosphate (UMP) 342.0687999 5.1277 3453 Unclassified Unclassified Unclassified 3 Unclassified 38.1 0.0 M+NH4 C9H13N2O9P -2.753662825 3-Hydroxy-7-acetylaminonitrazepam 327.1448147 5.144516667 1564 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C17H15N3O3 -1.139382018 Allyl valerate 160.1332624 5.161166667 LMFA07010781 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.1 0.0 M+NH4 C8H14O2 0.402095117 trans-p-Menthane-1,7,8-triol 8-glucoside 351.2022563 5.161166667 HMDB0034784 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 5.99 M+H C16H30O8 2.604138423 Canescein 589.2614697 5.192583333 86179 Organoheterocyclic compounds Isobenzofurans Unclassified 1 Unclassified 38.1 0.0 M+Na C29H42O11 -0.817796105 8-Hydroxyluteolin 8-glucoside 3'-sulfate 527.0488958 5.223183333 92442 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 38.1 0.0 M+H-H2O C21H20O15S -0.196510315 Normeperidine 251.1752797 5.288616667 1132 Organoheterocyclic compounds Piperidines Phenylpiperidines Unclassified Unclassified 38.1 0.0 M+NH4 C14H19NO2 -0.534687051 1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoserine 522.2793784 5.288616667 LMGP03060007 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 38.1 3.69 M+Na C22H46NO9P -1.724289338 Cappariloside B 479.165957 5.319616667 90317 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 M+H-H2O C22H28N2O11 -0.130007622 Cilazprilat 390.2022531 5.348566667 1749 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C20H27N3O5 -0.242249342 Rishitin 223.1691475 5.427633333 HMDB0035593 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified C09715 38.1 0.0 M+H C14H22O2 -0.490272065 Kalkitoxin thioamide alcohol 423.2438188 5.427633333 65428 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+K C21H40N2O2S -1.01178335 Plakortic acid 299.2203875 5.490783333 71590 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C17H30O4 -4.353796295 MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) 351.2528101 5.553333333 62325 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 38.1 0.0 M+H C21H34O4 -0.502153028 2-Heptyl-4-hydroxyquinoline-N-oxide 277.1909779 5.569416667 66152 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C16H21NO2 -0.295337039 N3'-Acetylneomycin 639.3228262 5.6028 65820 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C25H48N6O14 4.973517792 SALSOLIDINE 225.159613 5.619533333 44388 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C12H17NO2 -0.682112401 2,3-Pentylone isomer 253.1544332 5.619533333 96630 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C13H17NO3 -1.002592774 (E)-3,7-Dimethyl-2,6-octadienyl formate 200.1644334 5.635316667 LMFA07010611 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 C12294 38.1 0.0 M+NH4 C11H18O2 -0.394785852 (2E)-N-(4-amino-2,3-dihydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enimidic acid 267.1337477 5.635316667 HMDB0139575 Benzenoids Benzene and substituted derivatives Styrenes Unclassified Unclassified 38.1 2.15 M+H, M+K, M+Na, M+H-H2O C13H18N2O4 -0.698069436 5-Methyl-2-phenyl-2-hexenal 189.1273734 5.66695 87975 Benzenoids Benzene and substituted derivatives Phenylacetaldehydes Unclassified Unclassified 38.1 0.0 M+H C13H16O -0.096562645 2-Aminobenzoic acid 120.0445681 5.713466667 HMDB0001123 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C00108 38.1 0.0 M+H-H2O C7H7NO2 1.297774104 Diatretin 2 146.0236105 5.713466667 HMDB0031004 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M+H C8H3NO2 -0.305036704 Furfuryl isovalerate 183.1015532 5.713466667 94420 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.1 0.0 M+H C10H14O3 -0.09641802 DHAP(10:0) 347.1235843 5.713466667 62414 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.1 0.0 M+Na C13H25O7P 1.770320303 BMPN-benzoic acid 274.1549033 5.7291 683 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C15H16N2O2 -0.390442254 5-Ketoeicosatetraenoic acid 357.18188 5.7291 43392 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C14732 38.1 0.0 M+K C20H30O3 -2.428971521 2,4-Di-tert-butylphenol 205.1586558 5.793616667 HMDB0013816 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 38.1 0.0 M+H C14H20O -0.175752482 3,4-Dihydroxymandelonitrile 148.0392495 5.810533333 66038 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C8H7NO3 -0.335311305 N-Isobutyl-2,4,8-decatrienamide 222.1851621 5.8605 86781 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 38.1 0.0 M+H C14H23NO -0.355999593 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-Propionic Acid 227.0922961 5.9279 44993 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C12H12N4O2 -1.807705564 N-lactoyl-Tryptophan 259.107546 5.961266667 HMDB0062178 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M+H-H2O C14H16N2O4 -0.625534025 N6,N6-Dimethyladenosine 278.1241862 5.961266667 65975 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C12H17N5O4 -1.963867161 Dimethylallyltryptophan 273.159835 5.978083333 66345 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C16H20N2O2 0.296286884 14,19-Dihydroaspidospermatine 358.2487014 5.994866667 HMDB0030359 Alkaloids and derivatives Strychnos alkaloids Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C21H28N2O2 -0.594505144 GRAYANOTOXIN I 430.2798414 6.0283 43915 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C22H36O7 -0.212585863 QUIPAZINE 214.1336596 6.044966667 44221 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C13H15N3 -1.005414046 Canavalmine 255.195195 6.1705 94003 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 38.1 0.0 M+K C11H28N4 2.959790064 12-trans-Hydroxy juvenile hormone III 300.2167464 6.29965 64604 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C16H26O4 -0.667785963 Limonin 488.2293797 6.29965 HMDB0035921 Lipids and lipid-like molecules Prenol lipids Triterpenoids 3 C03514 38.1 0.0 M+NH4 C26H30O8 3.160932874 Toxol 219.1014046 6.549566667 67322 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C13H14O3 -0.761961754 Liquoric acid 523.2908003 6.549566667 HMDB0034512 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 38.1 0.0 M+H, M+K C30H44O5 -0.604744504 decoquinate 435.2850416 6.61485 3973 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C24H35NO5 -0.736171231 Cannabisativine 364.2952627 6.6307 68398 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O C21H39N3O3 -1.550300722 3-(1,2-dihydroxybutyl)-7-hydroxy-1H-isochromen-1-one 251.0911593 6.71175 HMDB0130060 Phenylpropanoids and polyketides Isocoumarins and derivatives Unclassified Unclassified Unclassified 38.1 0.0 M+H-H2O, M+H C13H14O5 -1.046366314 Diphenylhydantoic acid 271.1074676 6.772616667 1857 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C15H14N2O3 -0.929902296 Sphingofungin D 432.295738 6.92295 LMSP01080064 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 38.1 0.0 M+H C22H41NO7 0.368533177 (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide 281.1380973 6.954833333 93218 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.1 0.0 M+H C15H20O5 -0.902722561 Lapachol 260.1279945 6.971566667 43506 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C15H14O3 -0.517593096 (-)-Fusicoplagin A 456.2953217 6.987866667 LMPR0104350001 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 38.1 0.0 M+NH4 C24H38O7 -0.587233488 Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate 421.2576371 7.186683333 HMDB0032099 Organic acids and derivatives Keto acids and derivatives Beta-keto acids and derivatives Unclassified Unclassified 38.1 0.0 M+H C24H36O6 -1.970848623 S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloctanoyl)-5,5-dimethyloxazolidin-2-one 393.2742172 7.46925 65463 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C22H33NO4 -1.510819296 2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one 399.1038955 7.535616667 70967 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C10H16N5O9P 3.952604732 Methyl 3-(4-methoxyphenyl)-2-oxopropanoate 209.0806354 7.695566667 265057 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C11H12O4 -0.960793786 Goshonoside F7 613.3588463 7.79655 HMDB0038378 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.1 0.0 M+H-H2O C32H54O12 0.963608774 trans-2,3-Didehydro-16,16-dimethyl-PGE1 398.2896169 7.811833333 3014 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C22H36O5 -1.26978755 4,5-dihydroxy-6-(hydroxymethyl)-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 536.1978138 7.82765 HMDB0133304 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.1 0.0 M+NH4 C22H30O14 0.83492203 Psychosine 444.3315604 7.8755 427 Lipids and lipid-like molecules Sphingolipids Glycosphingolipids 2 C01747 38.1 0.0 M+H-H2O C24H47NO7 -0.876253716 Homodihydrojasmone 198.1851045 8.0225 HMDB0031181 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.1 0.0 M+H, M+NH4, M+H-H2O C12H20O -0.935034785 9,13-dihydroxy-10-ethoxy-11-octadecenoic acid 376.3052852 8.249916667 LMFA01050121 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.1 0.0 M+NH4 C20H38O5 -1.29693878 Veatchine 361.2845806 8.314966667 64020 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C22H33NO2 -1.090345735 Palmitolinoleic acid 235.2053667 8.592716667 LMFA01030275 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C08362 38.1 0.0 M+H-H2O C16H28O2 -1.091219325 Diadenosine tetraphosphate 837.0559391 8.733933333 HMDB0001211 Nucleosides, nucleotides, and analogues (5'->5')-dinucleotides Unclassified 2 C01260 38.1 0.0 M+H C20H28N10O19P4 0.475372036 Cepagenin 447.3098852 8.8123 HMDB0030913 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.1 0.0 M+H C27H42O5 -1.379451755 Octadecanedioic acid 332.2790706 8.975683333 35984 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M+NH4 C18H34O4 -1.478223845 Aryl beta-D-glucoside 274.1277297 9.16015 65906 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C12H16O6 -3.061720054 Yamogenintetroside B 1045.556221 9.239166667 89467 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 38.1 0.0 M+H-H2O C52H86O22 -1.472650032 4-Hydroxyphenylretinamide 409.2854261 9.25525 43443 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C26H33NO2 1.204593375 Decylubiquinone 323.2211709 9.270916667 70945 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C19H30O4 -1.598167175 Tolylacetonitrile 132.0807841 9.43295 65797 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C9H9N 0.063560989 Gibberellin A20 350.1962243 9.466166667 LMPR0104170004 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C02035 38.1 0.0 M+NH4 C19H24O5 0.074959165 Ichangin 4-glucoside 633.2547181 9.598433333 HMDB0039340 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.1 0.0 M+H-H2O C32H42O14 0.846304752 Pitheduloside A 767.4564791 9.614566667 87610 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.1 0.0 M+H C41H66O13 -1.486709737 4,11,13,15-Tetrahydroridentin B 269.1744504 9.64625 91305 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.1 0.0 M+H C15H24O4 -1.063787922 Tetradecylamine 214.2526397 9.750433333 3313 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H C14H31N -1.34456184 Chaksine 468.3313435 9.793166667 68027 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+NH4 C22H38N6O4 4.584135988 (R)-Pterosin B 201.1271907 9.864783333 87179 Benzenoids Indanes Indanones Unclassified Unclassified 38.1 0.0 M+H-H2O, M+H C14H18O2 -0.920719386 Burseran 404.2061723 9.9442 68374 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+H, M+NH4 C22H26O6 -1.817249551 Dopamine quinone 169.0970585 0.00225 64470 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C17755 38.0 0.0 M+NH4 C8H9NO2 -0.632804039 Penicillic acid 171.065076 0.00225 73187 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C8H10O4 -0.642084478 2,4-Dimethyladipic acid 175.0963798 0.00225 HMDB0059727 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.0 0.0 M+H, M+Na C8H14O4 -0.60608283 Lauric aldehyde 185.1899136 0.00225 HMDB0033933 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 C02278 38.0 0.0 M+H C12H24O -0.424691634 1,2-Dihydrophthalic acid 186.0759613 0.00225 71156 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C8H8O4 -0.731793668 2-Hydroxyhepta-2,4-dienedioate 190.0712457 0.00225 63511 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C7H8O5 1.434860073 Methyl-delta-ionone 207.1741487 0.00225 88421 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.0 0.0 M+H C14H22O -0.936384514 2,5-Dimethyl-1H-pyrrole 113.1075762 0.523333333 HMDB0032973 Organoheterocyclic compounds Pyrroles Substituted pyrroles Unclassified Unclassified 38.0 0.0 M+NH4 C6H9N 2.644488921 Cadaverine 103.1233151 0.580133333 3236 Organic nitrogen compounds Organonitrogen compounds Amines 2 C01672 38.0 0.0 M+H C5H14N2 3.331353187 Benzamideoxime 154.0973102 0.593983333 96504 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C7H8N2O -1.309967026 Lysinoalanine 234.1446439 0.593983333 86274 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.0 0.0 M+H C9H19N3O4 -0.808910751 5,6,7,8-Tetrahydroquinoxaline 152.1181287 0.607833333 89032 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 38.0 0.0 M+NH4 C8H10N2 -0.70987294 N,N-Dimethyl-1,4-phenylenediamine 154.133783 0.64945 66134 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C8H12N2 -0.668408221 Raffinose 527.1578054 0.663316667 HMDB0003213 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00492 38.0 0.0 M+Na, M+K C18H32O16 -0.89300927 L-Acetopine 233.1242975 0.67715 HMDB0039111 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.0 0.0 M+H C8H16N4O4 -0.577052615 Vicianose 295.1022398 0.718683333 65623 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H-H2O, M+K, M+Na C11H20O10 -0.380649859 Dimethyl adipate 192.1227524 0.76025 HMDB0041606 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C14570 38.0 0.0 M+NH4 C8H14O4 -1.61997299 4-Hydroxy-1-(3-pyridinyl)-1-butanone 183.1128228 0.774083333 73234 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C19565 38.0 0.0 M+NH4 C9H11NO2 0.113001498 (2S,4S)-Pinnatanine 262.1393021 0.774083333 LMFA01050445 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.0 0.0 M+NH4 C10H16N2O5 -1.823146401 5-Hydroxyconiferaldehyde 212.091615 0.7879 64178 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C10H10O4 -0.614798683 Gamma-glutamyl-Valine 263.1711352 0.91435 86054 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C10H19N3O4 -1.005278733 Ne,Ne dimethyllysine 175.1441948 0.986166667 HMDB0013287 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C05545 38.0 0.0 M+H C8H18N2O2 0.51975115 N5-Dinitrophenyl-L-ornithine methyl ester 406.17172 1.098383333 66202 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C18H20N4O6 -1.004437358 1-Ethylcarbamyl-4-methylpiperazine 172.1443552 1.112483333 2006 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C8H17N3O -0.487612144 Indicaxanthin 326.1343346 1.1264 HMDB0029386 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C08549 38.0 0.0 M+NH4 C14H16N2O6 -1.062014975 5-exo-Hydroxy-1,2-campholide 202.1435965 1.303766667 66059 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C10H16O3 -0.941742434 Daimuron 307.1220068 1.349116667 72235 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+K C17H20N2O 4.793533994 b-D-Glucopyranosiduronic acid 344.1339074 1.378866667 2024 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C15H21NO8 -0.249810175 2,4,6-Octatriynoic acid 150.055218 1.43835 HMDB0030967 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.0 0.0 M+NH4 C8H4O2 1.992579855 p-Hydroxynorpseudoephedrine 150.0913739 1.516783333 2017 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H-H2O C9H13NO2 0.200329837 1,2-Benzoquinone 109.0287215 1.533116667 62804 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified C02351 38.0 0.0 M+H C6H4O2 2.922363548 3-(2,3-dihydroxyphenyl)propanoic acid 183.0651702 1.649716667 HMDB0134042 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified 2 C04044 38.0 0.0 M+H C9H10O4 -0.082444554 DL-Benzylsuccinic acid 226.1073037 1.649716667 44740 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C11H12O4 -0.387765272 Maculosidine 277.1181928 1.666633333 68522 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C14H13NO4 -0.349678557 Dikegulac 292.1388228 1.884433333 72590 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C12H18O7 -0.932658006 2,4-dihydroxy-3-methoxybenzoic acid 202.0708831 1.900533333 HMDB0125542 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 38.0 0.0 M+NH4 C8H8O5 -0.629247856 Glutamyl-Arginine 320.1812356 1.933416667 85727 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.0 0.0 M+NH4 C11H20N5O5- 3.198123157 4,7-Megastigmadien-9-ol 177.1636444 10.09818333 HMDB0038731 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.0 0.0 M+H-H2O C13H22O -0.683496168 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one 298.1795455 10.12943333 89151 Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Unclassified Unclassified 38.0 0.0 M+NH4 C19H20O2 -2.177002006 PS(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 804.4816143 10.17686667 HMDB0112459 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines 1 Unclassified 38.0 0.0 M+H C44H70NO10P 0.751426295 3b,7b,12a-Trihydroxy-5b-cholanoic acid 431.2750159 10.20936667 HMDB0000395 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 38.0 0.0 M+Na C24H40O5 -4.357569237 Desmethylgliquidone 531.2270991 10.24085 3125 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C26H31N3O6S -0.162082134 8-HpODE 313.2368977 10.27175 LMFA02000103 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C14831 38.0 0.0 M+H C18H32O4 -1.40369288 Pregnanetriolone 351.2524815 10.30253333 HMDB0041997 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 1 C15368 38.0 0.0 M+H C21H34O4 -1.440448691 9-Oxo-nonanoic acid 173.1171283 10.31675 HMDB0094711 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16322 38.0 0.0 M+H C9H16O3 -0.537340245 8-Nonen-2-one 123.1169018 10.33101667 LMFA12000145 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.0 0.0 M+H-H2O C9H16O 0.534518284 13'-Carboxy-gamma-tocopherol 447.3464799 10.51926667 HMDB0012557 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.0 0.0 M+H C28H46O4 -0.910726337 Heptadecan-2-one 272.2944831 10.59686667 LMFA12000046 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.0 0.0 M+NH4 C17H34O -1.211921534 OS-PE 580.3262517 10.74158333 LMGP20020035 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 38.0 0.0 M+H C27H50NO10P 3.006646546 (Z)-13-Octadecenoic acid 300.2893866 10.75773333 HMDB0041480 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.0 0.0 M+NH4 C18H34O2 -1.130938595 (Z)-15-Oxo-11-eicosenoic acid 325.2732782 10.80675 HMDB0029797 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.0 0.0 M+H-H2O, M+H C20H36O3 -1.110371572 (6R,7S)-6,7-Epoxy-1,3-tetradecadiyne 205.1585377 10.85656667 HMDB0031776 Organoheterocyclic compounds Epoxides Unclassified Unclassified Unclassified 38.0 0.0 M+H C14H20O -0.754074554 omega-hydroxy behenic 374.362389 10.85656667 35456 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C22H44O3 -1.352238284 PS(8:0/8:0) 494.2533537 10.90575 LMGP03010021 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 38.0 0.0 M+H-H2O C22H42NO10P 3.929181845 Absinthin 514.3159478 10.90575 67576 Lipids and lipid-like molecules Prenol lipids Sesterterpenoids 1 C09286 38.0 0.0 M+NH4 C30H40O6 -0.738921536 CAY10408 410.2894955 10.95276667 45593 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C23H36O5 -1.540516855 Zinnimidine 262.1435544 10.96895 68441 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C15H19NO3 -0.825432495 2,3-Dihydroxycyclopentaneundecanoic acid 287.2212767 11.0503 70485 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C16H30O4 -1.429589476 Alpha-Linolenoyl ethanolamide 339.3001021 11.09523333 HMDB0013624 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified C13828 38.0 0.0 M+NH4 C20H35NO2 -1.5651779 Dihydroceramide C2 344.3154951 11.21606667 43402 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C20H41NO3 -1.239541185 (13R,14R)-8-Labdene-13,14,15-triol 342.2998477 11.40651667 HMDB0034957 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.0 0.0 M+NH4 C20H36O3 -1.304047933 11,12-Epoxyeicosatrienoic acid 321.2418076 11.63391667 HMDB0004673 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 3 Unclassified 38.0 0.0 M+H C20H32O3 -1.916551501 Karakoline 395.2899929 11.75645 67127 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C22H35NO4 -1.169506669 Neodunol 281.0807872 11.83171667 HMDB0033743 Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Unclassified Unclassified 38.0 0.0 M+H C17H12O4 -0.171614256 (R)-3-Hydroxy-Octadecanoic acid 283.2628927 12.90525 HMDB0010737 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.0 0.0 M+H-H2O C18H36O3 -0.87948899 1-O-(2R-hydroxy-hexadecyl)-sn-glycerol 350.3260649 13.36593333 LMGL01020063 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 38.0 0.0 M+NH4, M+Na C19H40O4 -1.265195653 (3S,6E,10E)-1,6,10,14-Phytatetraen-3-ol 308.2944207 13.84901667 90431 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.0 0.0 M+NH4 C20H34O -1.276623171 (-)-alpha-Bisabolol 223.205373 15.21783333 HMDB0036197 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 2 C09621 38.0 0.0 M+H C15H26O -1.210218339 1-Phenyl-2-(ethylamino)-1-propanol 162.127579 15.48381667 2013 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H-H2O C11H17NO -0.820073254 Propham 197.1283733 1.998066667 72648 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C10H13NO2 -0.451893641 Buthionine sulfoximine 223.111162 2.1097 66203 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C8H18N2O3S 0.324668598 Prolyl-Glutamine 266.1133813 2.1097 HMDB0029015 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.0 0.0 M+H, M+Na C10H17N3O4 -0.779975207 delta-Amorphene 205.1949937 2.125966667 87112 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.0 0.0 M+H C15H24 -0.408742478 Homoanserine 255.1448523 2.125966667 58302 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 38.0 0.0 M+H C11H18N4O3 -1.237848735 Melatonin radical 251.1387357 2.191183333 HMDB0060070 Organoheterocyclic compounds Indoles and derivatives Indolines Unclassified Unclassified 38.0 0.0 M+H C13H18N2O3 -1.131933931 2,4-dihydroxy-5-methoxybenzoic acid 202.0709076 2.620233333 HMDB0125522 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 38.0 0.0 M+NH4 C8H8O5 -0.495945205 (+)-aristolochene 205.1950153 2.636816667 LMPR0103270003 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C02004 38.0 0.0 M+H C15H24 -0.303224745 Anhalonidine 206.1172744 2.814283333 71290 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H-H2O C12H17NO3 -1.258378089 Hydroxyatrazine 236.0915012 2.831133333 66427 Organoheterocyclic compounds Triazines 1,3,5-triazines 2 C06552 38.0 0.0 M+K C8H15N5O 3.464751175 Bisnorbiotin 217.0640614 2.91515 HMDB0004821 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C20384 38.0 0.0 M+H C8H12N2O3S -0.362237674 Allyl nonanoate 237.1246496 3.23705 86470 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.0 0.0 M+K C12H22O2 -2.464573269 3,5-Dimethyl-2-propylpyrazine 151.1229566 3.321083333 94536 Organoheterocyclic compounds Diazines Pyrazines 1 Unclassified 38.0 0.0 M+H C9H14N2 -0.121992407 Pelargonic acid 159.1379041 3.439833333 HMDB0000847 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C01601 38.0 0.0 M+H C9H18O2 -0.329952925 Methyl 2,4,6-trihydroxybenzoate 202.0708994 3.541966667 HMDB0029650 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 38.0 0.0 M+NH4 C8H8O5 -0.540366183 ORSELLINIC ACID, ETHYL ESTER 214.1072342 3.712283333 43800 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C10H12O4 -0.76607966 CAY10550 299.1136853 3.8656 45294 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C15H11N3O3 -0.645593554 Valyl-Glutamine 228.1341618 4.080516667 HMDB0029125 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.0 0.0 M+H-H2O C10H19N3O4 -0.432613701 Secologanin 406.1704715 4.096833333 41147 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C01852 38.0 0.0 M+NH4 C17H24O10 -0.775542724 5-ethenyl-3-methoxybenzene-1,2,4-triol 183.065187 4.179966667 HMDB0125595 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.0 0.0 M+H C9H10O4 0.009798189 Nevirapine 305.0799552 4.246316667 43275 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified C07263 38.0 0.0 M+K C15H14N4O 0.135419742 Hydroxyphenoxyethylaminohydroxypropanol 245.1498003 4.327383333 1575 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C11H17NO4 0.954414269 Ethyl 3-(N-butylacetamido)propionate 216.159618 4.426716667 72595 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C11H21NO3 0.920633736 JP104 407.2326757 4.426716667 45145 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C25H30N2O3 -0.599492047 Caffeoylputrescine 268.16559 4.50795 3380 Benzenoids Phenols Benzenediols Unclassified C03002 38.0 0.0 M+NH4 C13H18N2O3 0.088055449 Indole-3-acetyl-beta-1-D-glucoside 338.1235298 4.666383333 66132 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H, M+NH4 C16H19NO7 0.30074267 Dimethylallyl pyrophosphate 229.0032042 4.6987 LMPR01010001 Lipids and lipid-like molecules Prenol lipids Isoprenoid phosphates 2 C00235 38.0 0.0 M+H-H2O C5H12O7P2 2.70934661 cis-2,3-Dihydro-2,3-dihydroxybiphenyl 206.1175994 4.74755 66445 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C12H12O2 0.235107385 3-(2-Hydroxyphenyl)propionic acid 184.0968787 4.779683333 63105 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified 2 C01198 38.0 0.0 M+NH4 C9H10O3 0.355182328 3-methyl Benzamideoxime 168.1132079 4.7945 45442 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C8H10N2O 0.462820939 (R)-Prunasin 313.1391776 4.7945 63625 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00844 38.0 0.0 M+NH4 C14H17NO6 -0.796953499 Flaviolin 224.0551437 4.871 72004 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C10H6O5 -0.995391781 Anatalline 278.1058567 4.871 64434 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+K C15H17N3 1.886116815 {4-[3-(4-hydroxy-3,6-dioxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-1,4-dien-1-yl)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid 511.054244 4.916283333 HMDB0126625 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.0 0.0 M+H-H2O C21H20O14S 0.295325881 Marmeline 334.181573 4.932916667 HMDB0030192 Benzenoids Phenol ethers Unclassified Unclassified Unclassified 38.0 5.08 M+H-H2O, M+NH4 C22H25NO3 4.036627608 5-((2-hydroxy-2-methylpropoxy)carbonyl)-2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 424.1714801 4.9501 1557 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C19H22N2O8 0.095882229 Diethyl fumarate 190.1074826 4.966716667 93264 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.0 0.0 M+NH4 C8H12O4 0.5708136 2,3-di-0-hexanoyl-alpha-glucopyranose 359.2058327 4.999783333 LMSL05000001 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 11.6 M+H-H2O C18H32O8 -1.586856444 Isepamicin 608.2562124 5.015383333 HMDB0041911 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.0 0.0 M+K C22H43N5O12 3.921481127 Fumonisin FP1 818.4398712 5.015383333 87949 Organic acids and derivatives Carboxylic acids and derivatives Hexacarboxylic acids and derivatives Unclassified Unclassified 38.0 0.0 M+NH4 C39H62NO16+ -1.017269092 1beta-Hydroxyalantolactone 266.1750022 5.063266667 88081 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.0 0.0 M+NH4 C15H20O3 -0.273539694 Benzoyltropein 263.1752202 5.192583333 69026 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C15H19NO2 -0.751196754 PC(4:0/4:0) 380.1815588 5.223183333 39956 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 38.0 0.0 M+H-H2O C16H32NO8P -4.296628324 Diphenhydramine N-glucuronide 450.2347158 5.223183333 HMDB0060897 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.0 0.0 M+NH4 C23H30NO7+ -3.093535451 N-Methylmescaline 243.1701412 5.272583333 3364 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C12H19NO3 -0.7896789 OKHdiA-PI 770.3700311 5.272583333 LMGP20050026 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 38.0 0.0 M+NH4 C34H57O16P -2.946497289 Matsutakic acid A 201.1121565 5.288616667 HMDB0036715 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 38.0 0.0 M+H C10H16O4 0.105265951 OXOLINIC ACID 279.0974097 5.319616667 44143 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C13H11NO5 -0.529526231 2-Phenyl-1,3-dioxolane-4-methanol 198.112462 5.348566667 HMDB0031240 Benzenoids Benzene and substituted derivatives Unclassified 1 Unclassified 38.0 0.0 M+NH4 C10H12O3 -0.043179051 Mukonidine 259.1081285 5.3798 HMDB0030214 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 38.0 0.0 M+NH4 C14H11NO3 1.699826219 Hydroxyltolmetin 312.0653153 5.41175 2873 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H, M+K C15H15NO4 -0.787188927 Carbamazepine-o-quinone 284.1030093 5.474733333 71260 Organoheterocyclic compounds Benzazepines Dibenzazepines 2 C16606 38.0 0.0 M+NH4 C15H10N2O3 0.15639691 Ethyl trans-p-methoxycinnamate 207.1015622 5.6028 HMDB0030762 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Unclassified C10476 38.0 0.0 M+H C12H14O3 -0.041642354 3a,21-Dihydroxy-5b-pregnane-11,20-dione 349.2370655 5.619533333 57886 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05478 38.0 0.0 M+H C21H32O4 -0.776541322 1-Ethylhexyl tiglate 213.1847656 5.635316667 92468 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.0 0.0 M+H C13H24O2 -0.663897846 O-hexanoyl-R-carnitine 260.1856021 5.650983333 75446 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 38.0 0.0 M+H C13H25NO4 -0.125944275 Polygonolide 238.1072636 5.682066667 68050 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C12H12O4 -0.549081155 Corticrocin 264.1235576 5.697833333 89891 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.0 0.0 M+NH4 C14H14O4 2.12573159 Gelcohol 300.2157255 5.713466667 85094 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C16H26O4 -4.285706108 9-Hydroxy-2-nitrofluorene 245.091905 5.76095 68693 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C13H9NO3 -0.720674031 8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite) 271.1649463 5.76095 1452 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C13H19NO4 -1.134987017 3,4-Dihydroxyhydrocinnamic acid 183.0651747 5.82695 HMDB0000423 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified 2 C10447 38.0 0.0 M+H C9H10O4 -0.057716935 10alpha-4,5-Seco-11-eudesmene-4,5-dione 237.184772 5.82695 88620 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.0 0.0 M+H C15H24O2 -0.569176355 ACETAMINOSALOL 289.118088 5.84335 43489 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C15H13NO4 -0.720968599 3-[(1E)-3-methylbut-1-en-1-yl]benzene-1,2,4-triol 212.1280337 5.894166667 HMDB0126463 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 38.0 0.0 M+NH4 C11H14O3 -0.443848632 (S)-Rutaretin 280.1178568 5.910883333 HMDB0030882 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 38.0 0.0 M+NH4 C14H14O5 -0.352046389 Piperine 303.1703039 5.9279 HMDB0029377 Alkaloids and derivatives Unclassified Unclassified Unclassified C03882 38.0 18.9 M+NH4 C17H19NO3 -0.05307358 (4-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}phenyl)oxidanesulfonic acid 450.0850805 5.961266667 HMDB0127399 Phenylpropanoids and polyketides Flavonoids Pyranoflavonoids Unclassified Unclassified 38.0 0.222 M+NH4 C20H16O9S -0.57424689 Serratanidine 313.2118258 5.994866667 67995 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C16H25NO4 -1.212826398 Ethyl octynecarboxylate 200.1642816 6.0775 91363 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.0 0.0 M+NH4 C11H18O2 -1.228614239 Pentamidine 363.1792749 6.202516667 1750 Benzenoids Phenol ethers Unclassified Unclassified C07420 38.0 0.0 M+Na C19H24N4O2 0.376931583 19-Hydroxy-PGE2 369.2259157 6.202516667 HMDB0001908 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 38.0 0.0 M+H, M+Na C20H32O6 -3.393277793 Geranyl acetate 179.1429455 6.2338 HMDB0035157 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 C09861 38.0 0.0 M+H-H2O C12H20O2 -0.489905198 28-Homobrassinolide 533.3249681 6.332866667 86964 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 38.0 0.0 M+K C29H50O6 2.165770022 Lochnericine 370.2128188 6.366616667 64314 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C21H24N2O3 0.853527336 Hydroxy-alpha-sanshool 264.1956117 6.515966667 LMFA08020181 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 38.0 0.0 M+H C16H25NO2 -0.736147526 Cypridina luciferin 406.2333319 6.53305 65845 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0373 M+H, M+Na C22H27N7O -4.079426916 Sporotrichiol 389.1937961 6.566216667 HMDB0037062 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.0 0.0 M+Na C20H30O6 0.919660554 Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate 191.1064919 6.582466667 66209 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H-H2O C12H16O3 -0.788906774 (2E)-3-(3,4-dihydroxyphenyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid 333.1439979 6.695866667 HMDB0136320 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.0 0.0 M+NH4 C17H17NO5 -1.587621966 15-keto-PGE2 368.2430362 6.742183333 LMFA03010030 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 C04707 38.0 0.0 M+NH4 C20H30O5 -0.323725825 Lusitanicoside 460.2172581 6.803616667 68347 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C10474 38.0 0.0 M+NH4 C21H30O10 -1.050648688 21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione 436.2688353 6.938916667 70751 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C24H34O6 -1.264891587 (S)-Abscisic acid 247.1326178 6.954833333 HMDB0035140 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 2 C06082 38.0 0.0 M+H-H2O C15H20O4 -0.958290768 6-(butanoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 247.0809289 7.0212 HMDB0130127 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.0 0.0 M+H-H2O C10H16O8 -1.13733517 PE(0:0/20:4(5Z,8Z,11Z,14Z)) 484.2836183 7.0212 LMGP02050051 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 38.0 0.0 M+H-H2O C25H44NO7P 2.72729347 cis-12a-Hydroxyrot-2'-enonic acid 435.1399319 7.037866667 48056 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+Na, M+K C23H24O7 -3.619708232 (9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid 308.2216358 7.186683333 87406 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 38.0 0.0 M+NH4 C18H26O3 -1.324812183 Finasteride 390.310962 7.2199 2698 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Unclassified Unclassified 38.0 0.0 M+NH4 C23H36N2O2 -1.455812667 Cycloate 216.1415813 7.30255 72550 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C11H21NOS -0.373633803 Linalyl phenylacetate 290.211125 7.535616667 HMDB0037216 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.0 0.0 M+NH4 C18H24O2 -1.214518107 TOFA 342.2632925 7.568666667 34518 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C19H32O4 -1.827444651 TOLPERISONE 263.2115031 7.601833333 43502 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C16H23NO -1.169654101 11,13-dimethoxy-12-hydroxy-9-octadecenoic acid 376.3052923 7.79655 LMFA01080003 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.0 0.0 M+NH4 C20H38O5 -1.277163125 2,3-Secoporrigenin 478.3155825 7.79655 HMDB0030909 Organoheterocyclic compounds Naphthofurans Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C27H40O6 -1.590409294 Cycloxydim 326.1780228 7.843266667 68682 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C17H27NO3S -1.286451692 13-(2-Methylcrotonoyl)oxylupanine 385.1883092 7.8755 64459 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+K C20H30N2O3 -1.420090253 Plastoquinone-1 205.1221441 7.891566667 71287 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H C13H16O2 -0.794062614 3-Oxosteroid 257.2261247 7.891566667 65669 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H-H2O C19H30O -0.921375583 CEDRYL ACETATE 265.2159059 7.891566667 44609 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.0 0.0 M+H C17H28O2 -1.138061754 Valdiate 328.211386 7.891566667 95421 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.0 0.0 M+NH4 C17H26O5 -1.494195446 Allotetrahydrocortisol 384.2739211 8.168216667 3171 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 38.0 0.0 M+NH4 C21H34O5 -1.443443054 (4E,6E,d14:2) sphingosine 259.2377536 8.200533333 LMSP01080007 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 38.0 0.0 M+NH4 C14H27NO2 -1.040970455 Eugenyl benzoate 286.1434382 8.282466667 HMDB0032056 Phenylpropanoids and polyketides Depsides and depsidones Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C17H16O3 -1.237296222 Limaprost 398.2895688 8.331033333 45597 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C22H36O5 -1.396305927 Pentylbenzene 149.1324099 8.381133333 HMDB0059834 Benzenoids Benzene and substituted derivatives Unclassified 3 Unclassified 38.0 0.0 M+H C11H16 -0.452744988 O-sebacoylcarnitine 346.2218787 8.414266667 LMFA07070100 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 38.0 0.0 M+H C17H31NO6 -1.55113487 Allocortol 386.2896066 8.44615 3176 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C21H36O5 -1.339156064 PGG2 391.2093861 8.44615 LMFA03010009 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05956 38.0 0.0 M+Na C20H32O6 0.751351567 Podecdysone B 463.3047977 8.549466667 67216 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H, M+Na C27H42O6 -1.336377711 (+)-cis-3,4-Dihydrophenanthrene-3,4-diol 230.1173533 8.891216667 66187 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C14H12O2 -0.951561735 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone 269.1743957 8.961616667 HMDB0038153 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.0 0.0 M+H C15H24O4 -1.267761152 P1,P4-Bis(5'-adenosyl) tetraphosphate 837.0558258 8.975683333 HMDB0006502 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 38.0 0.0 M+H C20H28N10O19P4 0.339848234 Resveratrol 246.1121798 9.081183333 HMDB0003747 Phenylpropanoids and polyketides Stilbenes Unclassified 3 C03582 38.0 0.0 M+NH4 C14H12O3 -1.27156016 JWH 081 389.2214352 9.16015 64770 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C25H25NO2 -2.476943728 PHORBOL MYRISTATE ACETATE 599.3935856 9.270916667 44608 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H-H2O, M+H C36H56O8 -1.04627835 Diisopropyl phthalate 233.1169227 9.350316667 70085 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+H-H2O C14H18O4 -1.191998547 Diosgenin 3-[glucosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside] 1013.530284 9.366566667 HMDB0029309 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 38.0 0.0 M+H-H2O C51H82O21 -1.248909808 9,13-dihydroxy-12-ethoxy-10-octadecenoic acid 376.3052135 9.3831 LMFA01050122 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.0 0.0 M+NH4 C20H38O5 -1.497124038 PA(19:3(10Z,13Z,16Z)/0:0) 429.2413634 9.449533333 LMGP10050004 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 38.0 0.0 M+H-H2O C22H39O7P 2.938800726 Histidinol phosphate 239.0898663 9.5153 363 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+NH4 C6H12N3O4P -2.269626159 Stearidonic acid 277.2158897 9.7363 LMFA01030357 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C16300 38.0 0.0 M+H C18H28O2 -1.147045149 MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0) 368.2791232 9.976083333 HMDB0011571 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 38.0 0.0 M+NH4 C21H34O4 -1.17600433 2-amino-4'-hydroxy-Propiophenone 148.0756206 0.00225 2018 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C9H11NO2 -0.422628626 3-HYDROXYCOUMARIN 180.0654119 0.00225 44078 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Unclassified Unclassified 37.9 0.0 M+NH4 C9H6O3 -0.664403732 6-[(2Z)-2-carboxy-2-ethylideneethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 310.1128607 0.00225 HMDB0129115 Lipids and lipid-like molecules Saccharolipids Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C11H16O9 -1.358993042 Gamma-glutamyl-L-putrescine 218.1498091 0.607833333 62876 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C15699 37.9 0.0 M+H C9H19N3O3 -0.501231862 5-Methyldeoxycytidine 259.1401494 0.663316667 HMDB0002224 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides Unclassified C03592 37.9 0.0 M+NH4 C10H15N3O4 0.281699437 Tauropine 215.0694412 0.67715 65620 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C5H11NO5S -0.902399341 Fortimicin AP 317.2180384 0.67715 71971 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C14H30N4O5 -0.878043636 N-Acetyl-D-mannosaminolactone 220.0814495 0.704816667 66042 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C8H13NO6 -0.520752789 Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate 222.1335662 0.73255 66217 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C9H16O5 -0.161397046 N'-Nitrosonornicotine 195.123383 0.774083333 71204 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines Unclassified C16452 37.9 0.0 M+H-H2O, M+NH4 C9H11N3O 0.146620712 Fumarycarnitine 277.1393011 0.774083333 LMFA07070064 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+NH4 C11H17NO6 -0.431161257 Zanamivir 333.1398451 0.774083333 66814 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified C08095 37.9 0.0 M+H C12H20N4O7 -1.897778696 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine 322.1605249 0.7879 90282 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.9 0.0 M+NH4 C12H20N2O7 -1.156121954 Metixene 332.1449143 1.0006 85366 Organoheterocyclic compounds Benzothiopyrans 1-benzothiopyrans Unclassified Unclassified 37.9 0.0 M+Na C20H23NS 1.852899467 Tricaine 148.0757296 1.01445 72021 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C9H11NO2 0.237740774 N-(4-amino-2-hydroxybutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid 267.1337719 1.01445 HMDB0139703 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.9 0.0 M+H C13H18N2O4 -0.607055248 1-Penten-3-ol 104.1073465 1.042183333 HMDB0031605 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 1 Unclassified 37.9 0.0 M+NH4 C5H10O 4.136384534 Diethylcarbamazine N-oxide 198.1601061 1.042183333 HMDB0060817 Organoheterocyclic compounds Diazinanes Piperazines Unclassified Unclassified 37.9 0.0 M+H-H2O C10H21N3O2 0.08101568 Depdecin 246.1335818 1.098383333 36470 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 37.9 0.0 M+NH4 C11H16O5 -0.075897565 Arg-OEt 203.1501379 1.184816667 65589 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C8H18N4O2 -0.565853947 1-Methylpiperazine 101.1077136 1.21445 2008 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C5H12N2 3.884272568 Dexmethylphenidate 251.1750946 1.21445 85567 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 37.9 0.0 M+NH4 C14H19NO2 -1.328934785 Tryptophyl-Alanine 258.1233967 1.2878 85969 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M+H-H2O C14H17N3O3 -1.113767301 1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol 366.1393835 1.363833333 73358 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C14H25NO11 -0.231859084 Quinoline 130.0652384 1.42375 66396 Organoheterocyclic compounds Quinolines and derivatives Unclassified Unclassified C06413 37.9 0.0 M+H C9H7N 0.873837777 N-Benzooxazol-2-yl-guanidine 194.1037318 1.500583333 96363 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C8H8N4O 0.541937232 1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol 243.145026 1.5667 73240 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C10H15N3O3 -0.625917436 N-(1-Deoxy-1-fructosyl)alanine 234.0971477 1.599716667 HMDB0038662 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.9 0.0 M+H-H2O C9H17NO7 -0.262667333 xi-10-Hydroxyoctadecanoic acid 283.2629871 1.683466667 HMDB0037396 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.9 0.0 M+H-H2O C18H36O3 -0.564890526 Proacacipetalin 260.1128743 1.750416667 66917 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C11H17NO6 0.040912124 Tetrahydrofurfuryl butyrate 190.1437094 1.96585 91337 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+NH4 C9H16O3 -0.351437335 Dehydroepiandrosterone 289.2158917 10.006 HMDB0000077 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C01227 37.9 0.0 M+H C19H28O2 -1.092402512 Melinervin 357.0623472 10.006 51759 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.9 0.0 M+H-H2O C18H14O9 4.954908495 Fauronyl acetate 281.210841 10.0824 91558 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.9 0.0 M+H C17H28O3 -1.000006004 Lotusine 297.1721649 10.0824 HMDB0033347 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Unclassified C17567 37.9 8.26 M+H-H2O C19H24NO3+ -0.526565283 Arginyl-Methionine 306.1584842 10.0824 85630 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M+H C11H23N5O3S -3.122619387 3-Polyprenyl-4-hydroxy-5-methoxybenzoate 322.2009009 10.0824 HMDB0060379 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C17559 37.9 0.0 M+NH4 C18H24O4 -1.262082349 N-Arachidonyl Maleimide 370.2735001 10.31675 45064 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C24H35NO2 -1.504778966 D-Sedoheptulose 7-phosphate 329.0046875 10.33101667 HMDB0001068 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C05382 37.9 0.0 M+K C7H15O10P 4.296221886 dehydro-beta-Ionone 191.1429012 10.39106667 HMDB0059904 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.9 0.0 M+H C13H18O -0.738438403 (4OH,8Z,t18:1) sphingosine 316.2842532 10.50295 53909 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O, M+H C18H37NO3 -0.889246036 1-hexadecylpyridinium 304.2994757 10.64501667 34547 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C21H37N -1.321920137 12-O-acetyl-16-O-deacetyl-16-epi-scalarobutenolide 462.3206378 10.6612 LMPR0105060004 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 37.9 0.0 M+NH4 C27H40O5 -1.715276425 Strigolactone ABC-rings 235.1326093 10.67678333 64132 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C14H18O3 -1.117220517 MG(15:0/0:0/0:0) 317.2682475 10.82331667 HMDB0011563 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.9 0.0 M+H C18H36O4 -1.228555119 19-Noretiocholanolone 294.2424418 10.88935 1446 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 Unclassified 37.9 0.0 M+NH4 C18H28O2 -1.136266415 PA(O-16:0/0:0) 414.2994419 11.13786667 82360 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.9 0.0 M+NH4 C19H41O6P 3.888071456 OOB-PE 564.3314086 11.1524 LMGP20020034 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 37.9 0.0 M+H C27H50NO9P 3.219076005 beta-Triticene 223.2054461 11.18393333 HMDB0030938 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 37.9 0.0 M+H C15H26O -0.881322353 Thromboxane 314.3412296 11.31523333 HMDB0003208 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C02198 37.9 0.0 M+NH4 C20H40O -1.727461833 Ecklonialactone A 291.1950568 11.39205 65409 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C18H26O3 -1.427752888 Linoleyl hydroxamic acid 318.2398753 11.55166667 LMFA08020211 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.9 0.0 M+Na C18H33NO2 -1.607648605 Hypogeic acid 255.231518 11.66565 LMFA01030808 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.9 0.0 M+H-H2O, M+H C16H30O2 -1.122228209 9-Pentadecenoic acid 258.2424908 11.71073333 HMDB0029765 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.9 0.0 M+NH4 C15H28O2 -1.102799332 Dibutyl decanedioate 315.2525635 11.78728333 HMDB0041220 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+H C18H34O4 -1.344516007 (3E,6Z)-Nonadien-1-yl acetate 165.1273012 11.81706667 HMDB0038068 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.9 0.0 M+H-H2O C11H18O2 -0.496382185 Wuhanic acid 414.3572669 11.92551667 LMFA01050559 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.9 0.0 M+NH4 C24H44O4 -1.308426853 15(S)-HETE 338.2684567 12.14898333 HMDB0003876 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C04742 37.9 0.0 M+NH4 C20H32O3 -1.604072073 Docosanamide 340.356726 13.32005 LMFA08010020 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 37.9 0.0 M+H C22H45NO -1.961106307 Linoelaidic acid 263.2367208 13.65276667 HMDB0006270 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.9 0.0 M+H-H2O C18H32O2 -0.789555509 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid 391.2837961 15.67478333 LMST04010161 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.9 0.0 M+H C24H38O4 -1.255577571 1-(2-Pyrimidyl)piperazine 165.1133702 15.6893 1450 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C8H12N4 -0.625138066 DL-Phenylalanine 148.0756469 2.0298 65707 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C9H11NO2 -0.262895302 N-Methylhexanamide 112.112341 2.191183333 65819 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C7H15NO 2.053892746 2-[3-Carboxy-3-(methylammonio)propyl]-L-histidine 253.1292567 2.305933333 3400 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C11H18N4O4 -0.962774365 (3S,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane 190.1436847 2.404266667 LMPK09000006 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C9H16O3 -0.49525512 DL-Tyrosine 199.1076577 2.437616667 65607 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C9H11NO3 -0.337039951 7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate 185.0808159 2.6036 66201 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C9H12O4 -0.105405207 N-Jasmonoyltyrosine 374.1974375 2.685183333 HMDB0039503 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 10.7 M+H C21H27NO5 3.317548755 EVERNINIC ACID 183.0651769 2.73235 44001 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O, M+H C9H10O4 -0.173547164 5-ethyl-3-methoxybenzene-1,2,4-triol 185.0808146 2.748266667 HMDB0125597 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 37.9 0.0 M+H C9H12O4 -0.112465288 Butylone 239.1388254 2.748266667 85072 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C12H15NO3 -0.874906816 Tyrosyl-Methionine 330.1478035 2.764633333 HMDB0029111 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 37.9 0.0 M+NH4 C14H20N2O4S -1.281940357 Ropinirole 278.2225981 2.91515 2361 Organoheterocyclic compounds Indoles and derivatives Indolines Unclassified C07564 37.9 0.0 M+NH4 C16H24N2O -0.34908005 5,7-Dihydroxychromone 196.0604852 2.9319 67341 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C9H6O4 0.286711997 Phenacemide 196.1081035 2.96555 HMDB0015253 Benzenoids Benzene and substituted derivatives Phenylacetamides Unclassified C07428 37.9 0.0 M+NH4 C9H10N2O2 0.283250446 (4-Ethoxyphenyl)urea 198.1237541 3.033166667 HMDB0032565 Benzenoids Benzene and substituted derivatives N-phenylureas Unclassified C19415 37.9 0.0 M+NH4 C9H12N2O2 0.283019858 bk-MDEA 222.1123052 3.220116667 96731 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C12H15NO3 -0.744217462 Phenylmethylglycidic ester 224.1279729 3.2875 87900 Organoheterocyclic compounds Epoxides Oxirane carboxylic acids and derivatives Unclassified Unclassified 37.9 0.0 M+NH4 C12H14O3 -0.713180898 L-Methionine 132.0478131 3.405816667 HMDB0000696 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00073 37.9 0.0 M+H-H2O C5H11NO2S 0.3473617 2-Propenyl 2-ethylbutanoate 174.1487888 3.644233333 LMFA07010741 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+NH4 C9H16O2 -0.425679396 3,4,5-Trimethoxycinnamic acid 256.1177145 3.644233333 HMDB0002511 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.9 0.0 M+NH4 C12H14O5 -0.985240014 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate 185.0808043 4.03195 66439 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C9H12O4 -0.16835779 gamma-Diosphenol 186.148793 4.04825 HMDB0037014 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.9 0.0 M+NH4 C10H16O2 -0.370236632 L-2-Amino-3-(4-aminophenyl)propanoic acid 198.1237433 4.04825 86943 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M+NH4 C9H12N2O2 0.222657344 epi-Tulipinolide diepoxide 345.1303162 4.230033333 67810 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+Na C17H22O6 -1.685278938 6-Methoxytaxifolin 352.1025525 4.230033333 67928 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C16H14O8 -0.420231319 D-Phenylalanine 183.11289 4.359933333 63528 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C9H11NO2 0.519946533 METHYL ORSELLINATE 200.0918229 4.359933333 44470 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C9H10O4 0.486504135 cyclic 6-Hydroxymelatonin 264.1342492 4.459283333 HMDB0060810 Organoheterocyclic compounds Indoles and derivatives Pyrroloindoles Unclassified Unclassified 37.9 0.0 M+NH4 C13H14N2O3 -0.075882946 Lucuminic acid 464.1764342 4.47545 90367 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.9 0.0 M+NH4 C19H26O12 0.408933928 29-demethylgeodisterol-O-sulfite 475.2515108 4.47545 LMST01031091 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 37.9 0.0 M+H-H2O C27H40O6S 0.485694893 Validamycin A 498.2195893 4.491716667 69311 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C12112 37.9 0.0 M+H, M+Na C20H35NO13 2.961926162 Mucronine B 493.2808305 4.540083333 68089 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C28H36N4O4 -0.206446803 2,3-dinor Fluprostenol 448.1943737 4.604216667 45699 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C21H25F3O6 0.523025148 Flumetover 350.1375885 4.619866667 68705 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C19H20F3NO3 3.673097226 N-nonanoyl-L-Homoserine lactone 264.1592339 4.666383333 45725 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4, M+Na C13H23NO3 0.095203548 Cappariloside A 352.1502538 4.6987 90316 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.9 0.0 M+NH4 C16H18N2O6 -0.173754829 Ferimzone 293.1164329 4.779683333 72381 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+K C15H18N4 0.504381591 PA(O-18:0/0:0) 463.2585187 4.825566667 82359 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.9 0.0 M+K C21H45O6P -0.035756122 1H-1,2,4-Triazole-1-propanoic acid, 3-ethyl-4,5-dihydro-5-oxo-4-(2-phenoxyethyl)- 306.1446024 4.856283333 1476 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C15H19N3O4 -0.754208318 1H-Indole-3-methanamine 185.0472339 4.871 HMDB0029740 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 37.9 1.62 M+K C9H10N2 -2.207619097 Methylcarbamyl PAF C-8 444.2815524 4.9001 62994 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C18H39N2O7P -4.132179183 3-(3,4,5-Trimethoxyphenyl)propanoic acid 258.1337725 4.966716667 86836 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C12H16O5 0.722094609 Sannamycin A 372.2590967 5.031616667 71872 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C17H35N5O5 -3.684531483 4-Hydroxyphenylacetylglutamine 282.0971946 5.047433333 58355 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C13H15NO6 -0.067789741 N-Hydroxy-L-phenylalanine 199.1077848 5.063266667 73312 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C9H11NO3 0.364791052 Pelargonidin 3-galactoside-5-glucoside 595.1655462 5.079183333 46777 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C27H30O15 -0.337512593 Avenanthramide E 331.1289796 5.1774 HMDB0038944 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.9 0.0 M+NH4 C17H15NO5 0.419834975 1-(1-Methylethenyl)-4-(1-methylethyl)benzene 161.1324888 5.2563 HMDB0061813 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.9 0.0 M+H C12H16 0.073761508 Balsalazide 375.1296303 5.319616667 HMDB0015149 Organoheterocyclic compounds Azobenzenes Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C17H15N3O6 -0.785447921 SIN-1 Chloride 193.0688444 5.33425 1336 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+Na C6H10N4O2 -4.420866497 6-Hydroxyphenprocoumon 297.1119318 5.348566667 1837 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C18H16O4 -0.687591817 3-Isopropyl-2-methoxy-5-methylpyrazine 184.1444773 5.3798 HMDB0029742 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.9 0.0 M+NH4 C9H14N2O 0.232840896 Isobutyryl-L-carnitine 232.154198 5.41175 HMDB0000736 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 Unclassified 37.9 0.0 M+H-H2O, M+H C11H21NO4 0.430428993 Stovaine 253.190722 5.44365 69848 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C14H21NO2 -1.413689763 N-[(Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide 270.206359 5.44365 88303 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M+H C15H27NO3 -0.041322895 6-Hydroxymellein 195.0651913 5.4597 65760 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C10H10O4 0.031409555 3-Dimethylallyl-4-hydroxybenzaldehyde 208.133186 5.474733333 64577 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C12H14O2 -0.101149229 8-(1,2-dihydroxypropan-2-yl)-9-hydroxy-2H,8H,9H-furo[2,3-h]chromen-2-one 296.1127567 5.474733333 HMDB0128947 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 37.9 0.0 M+NH4 C14H14O6 -0.384614376 CGP71422 532.2431739 5.521966667 85288 Benzenoids Benzene and substituted derivatives Anilides Unclassified Unclassified 37.9 0.0 M+Na C29H31N7O2- 0.058741441 Acetyl tributyl citrate 403.2322982 5.537433333 89746 Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Unclassified Unclassified 37.9 0.0 M+H C20H34O8 -0.860957779 4,6-Dihydroxyquinoline 144.0444328 5.553333333 58204 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives 2 C05639 37.9 0.0 M+H-H2O C9H7NO2 0.264411403 Pirimiphos-ethyl 356.1160427 5.553333333 72763 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+Na C13H24N3O3PS -2.333231973 PC(6:0/6:0)[S] 471.2815287 5.586183333 39964 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C20H40NO8P -3.200736236 Inundatine 284.1630445 5.6028 67976 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H, M+Na C16H23NO2 -0.778380962 (10S)-Juvenile hormone III acid diol 288.2167876 5.682066667 64602 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C15H26O4 -0.545036802 Phenyl beta-D-glucopyranoside 257.1030504 5.697833333 69132 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C12H16O6 4.23964473 Oxprenolol 283.201254 5.697833333 1681 Benzenoids Phenol ethers Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C15H23NO3 -1.377020556 Lophocerine 267.2063611 5.745083333 67813 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C15H23NO2 -1.378092107 Neomacrostemonoside D 1107.557231 5.810533333 89838 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 37.9 0.0 M+H C53H86O24 -0.857761849 LysoPC(16:1(9Z)) 532.2687657 5.944716667 61693 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 2 C04230 37.9 0.0 M+NH4, M+K C24H48NO7P -3.478819869 10-Oxogeranial 184.1332114 5.961266667 64041 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C10H14O2 0.037207256 Chaparrin 381.1900615 5.978083333 67175 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C20H28O7 -1.889095211 Leucopelargonidin 308.1126575 6.011633333 HMDB0032322 Phenylpropanoids and polyketides Flavonoids Flavans 2 C03648 37.9 0.0 M+NH4 C15H14O6 -0.710879184 Candoxatrilat 382.222071 6.044966667 69177 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O, M+NH4 C20H33NO7 -0.859639163 PC(P-15:0/0:0) 488.3115397 6.061516667 40399 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 37.9 0.0 M+Na C23H48NO6P 0.8469600349999999 Benzaldehyde glyceryl acetal 198.1124425 6.18665 HMDB0032174 Organoheterocyclic compounds Dioxanes 1,3-dioxanes 1 Unclassified 37.9 0.0 M+NH4 C10H12O3 -0.151677628 6-Hydroxyemedastine 341.1950875 6.18665 HMDB0060785 Organoheterocyclic compounds Benzimidazoles Unclassified Unclassified Unclassified 37.9 0.0 M+Na C17H26N4O2 0.913747369 Gibberellin A12 333.2058266 6.202516667 41226 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C11857 37.9 0.0 M+H C20H28O4 -0.629728843 12-HETE-Gly 395.2901887 6.202516667 LMFA08020144 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.9 0.0 M+NH4 C22H35NO4 -0.65061629 (2E,6Z)-2,6-Nonadien-1-Yl acetate 165.1273528 6.2338 HMDB0038079 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.9 0.0 M+H-H2O C11H18O2 -0.213109703 Methyl caffeate 177.0545369 6.266266667 68350 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C10H10O4 -0.43114187 6,15-Diketo,13,14-dihydro-PGF1a 386.2533297 6.282966667 HMDB0001979 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.9 0.0 M+NH4 C20H32O6 -1.044440354 Dhelwangin 225.1119624 6.332866667 HMDB0030703 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.9 0.0 M+H C12H16O4 -0.771902526 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone 435.1646721 6.34955 LMPK12120351 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C22H26O9 -0.66054946 Citpressine I 302.1019492 6.465933333 86187 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 37.9 0.0 M+H, M+NH4 C16H15NO5 -1.161737944 5,7-Megastigmadien-9-ol glucoside 374.253209 6.465933333 95477 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.9 0.0 M+NH4 C19H32O6 -1.418291716 3-O-(beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl) ethyl 3-hydroxyoctanoate 530.2783425 6.48265 LMFA13010044 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 37.9 0.0 M+NH4 C22H40O13 -4.635141627 Norsanguinarine 335.1022178 6.53305 HMDB0030176 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines 2 C05191 37.9 0.0 M+NH4 C19H11NO4 -1.310793308 Trimethoprim 1-N-oxide 345.0967157 6.53305 2958 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+K C14H18N4O4 2.458365966 Spermine 241.1795503 6.549566667 255 Organic nitrogen compounds Organonitrogen compounds Amines 2 C00750 37.9 0.0 M+K C10H26N4 3.191495704 formyl 2E,4E,6Z-decatrienoate 181.1221673 6.566216667 97203 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C11H16O2 -0.770879271 Oseltamivir phosphate 449.1436707 6.582466667 66812 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C08092 37.9 0.0 M+K C16H31N2O8P -3.144881566 Bumetanide M1 381.110972 6.695866667 1395 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 2.25 M+H C17H20N2O6S -1.34658407 4'-Hydroxy-4-biphenylacetic acid 246.112155 6.71175 2678 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C14H12O3 -1.38030205 4-keto pentadecanoic acid 274.2373459 6.7273 35741 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.9 0.0 M+NH4 C15H28O3 -1.266311886 10-Nitrolinoleic acid 308.2216106 6.92295 HMDB0005049 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 C13800 37.9 0.0 M+H-H2O, M+H C18H31NO4 -1.259608135 Nigakihemiacetal A 411.2369211 6.987866667 67190 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C22H34O7 -1.971443636 Isoliquiritigenin 274.1070961 7.0212 HMDB0037316 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones 3 C08650 37.9 0.0 M+NH4 C15H12O4 -1.125695659 N-decanoyl-L-Homoserine lactone 273.2168114 7.087216667 45310 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C14H25NO3 -1.793920344 Geranyl phenylacetate 290.2110357 7.103816667 92982 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.9 0.0 M+NH4 C18H24O2 -1.542452168 all-trans-4-oxoretinoic acid 353.1526373 7.2034 LMPR01090026 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C16678 37.9 0.0 M+K C20H26O3 4.088243436 Pregn-4-ene-3,20-dione, 6b,17-dihydroxy-6-methyl-, 17-acetate 403.2473295 7.236083333 1087 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C24H34O5 -1.419878704 3-keto palmitic acid 288.2530126 7.285966667 LMFA01060051 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.9 0.0 M+NH4 C16H30O3 -1.13887493 2-(3,4,5-trihydroxyphenyl)acetic acid 202.070845 7.30255 HMDB0130405 Benzenoids Phenols Benzenetriols and derivatives Unclassified Unclassified 37.9 0.0 M+NH4 C8H8O5 -0.836055616 beta-Damascenone 191.1428768 7.368583333 HMDB0013804 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.9 0.0 M+H C13H18O -0.867008228 Undecylprodigiosin 432.2409819 7.435933333 69260 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+K C25H35N3O -0.480478391 Glycerol trihexanoate 404.3002502 7.552183333 87428 Lipids and lipid-like molecules Glycerolipids Triradylcglycerols 1 Unclassified 37.9 0.0 M+NH4 C21H38O6 -1.072391887 9-hydroxy-hexadecan-1,16-dioic acid 285.2057126 7.568666667 LMFA01170057 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.9 0.0 M+H-H2O C16H30O5 -1.069611894 Descladinosyl-6-O-methylerythromycin 628.368255 7.568666667 1859 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+Na C30H55NO11 2.515327486 Glyceryl lactooleate 446.3472143 7.585266667 HMDB0032298 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+NH4 C24H44O6 -0.934802952 2,4,8-Trihydroxy-1-tetralone 177.0544966 7.695566667 68058 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C10H10O4 -0.638472132 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene 256.1540376 7.9907 HMDB0034046 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 37.9 0.0 M+NH4 C13H18O4 -1.247365264 Schidigeragenin B 411.2891835 7.9907 HMDB0035506 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.9 0.0 M+H-H2O C27H40O4 -0.438899369 2-Tridecenal 197.1898513 8.103666667 HMDB0037275 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 37.9 0.0 M+H C13H24O -0.716293296 Arachidonoyl-EA(d8) 378.3208883 8.103666667 46565 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+Na C22H29D8NO2 -2.746124225 Mesembrine 290.1747261 8.136066667 67531 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O, M+H C17H23NO3 -1.171749508 beta-Cortolone 349.2370461 8.136066667 LMST02030230 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1 Unclassified 37.9 0.0 M+H-H2O C21H34O5 -0.791306195 Erinacine D 496.3262743 8.136066667 HMDB0031896 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.9 0.0 M+NH4 C27H42O7 -1.264796866 Ginsenoyne A linoleate 543.3821873 8.15215 HMDB0041203 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.9 0.685 M+Na C35H52O3 2.5387104 PG(O-16:0/0:0) 471.3100177 8.381133333 LMGP04060003 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 37.9 0.0 M+H C22H47O8P 4.010474709 Austroinulin 323.2576706 8.398016667 91817 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.9 0.0 M+H C20H34O3 -1.243573008 PGD2 375.2146162 8.506066667 LMFA03010004 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C00696 37.9 0.0 M+Na C20H32O5 1.196245821 A-Nor-5alpha-cholestan-2-one 411.3024221 8.549466667 70767 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+K C26H44O 0.128935307 12a-Hydroxy-3-oxocholadienic acid 387.2525985 8.608466667 HMDB0000385 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.9 0.0 M+H C24H34O4 -1.003164299 delta5-8-NeuroF 417.2244819 8.719533333 LMFA04020001 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 37.9 0.0 M+Na C22H34O6 -0.704151452 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate 287.2212542 8.975683333 HMDB0059777 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Unclassified Unclassified 37.9 0.0 M+H C16H30O4 -1.508385285 3beta-Hydroxy-5alpha-pregnan-20-one acetate 343.2627533 8.975683333 70886 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H-H2O C23H36O3 -1.120014645 Nebramycin factor 4 549.2478715 9.25525 71996 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+Na C19H38N6O11 -2.290163631 5-Ethyl-4-methyl-2-pentyloxazole 199.1802362 9.317566667 HMDB0037889 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 37.9 0.0 M+NH4 C11H19NO -1.39980104 N-pentadecanoyl-L-Homoserine lactone 343.2949976 9.3831 64795 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C19H35NO3 -1.60454158 Dehydrojuvabione 282.2061056 9.532 67865 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+NH4 C16H24O3 -1.001546626 Avocadyne 1-acetate 344.2791351 9.598433333 LMFA05000644 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.9 0.0 M+NH4 C19H34O4 -1.226106692 Hebevinoside IV 605.4405899 9.598433333 HMDB0036060 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 37.9 0.0 M+H C36H60O7 -0.977489374 Polyporusterone B 477.3206559 9.677 93174 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.9 0.0 M+H C28H44O6 -0.860160317 Cinnamaldehyde 115.0543267 9.807416667 HMDB0003441 Phenylpropanoids and polyketides Cinnamaldehydes Unclassified 2 C00903 37.9 0.0 M+H-H2O C9H8O 0.757514598 Prostaglandin D2-d9 362.2892477 9.976083333 96462 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+H C20H23D9O5 1.401849704 Sulfolane 121.0319392 0.00225 652 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C4H8O2S 1.351890322 D-Limonene 154.1589447 0.00225 HMDB0003375 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C06099 37.8 0.0 M+NH4 C10H16 -0.597614699 Isoeugenol 182.117537 0.00225 58323 Benzenoids Phenols Methoxyphenols 1 C10469 37.8 0.0 M+NH4 C10H12O2 -0.110729338 Piquerol A 184.1331475 0.00225 67986 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C10H14O2 -0.347493668 Butyl ethyl malonate 189.112 0.00225 91378 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Unclassified Unclassified 37.8 0.0 M+H C9H16O4 -0.719708356 4-hydroxy Nonenal Alkyne 153.0911612 0.566283333 45510 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C9H12O2 1.019985897 N-Acetyl-p-benzoquinonimine 167.0817546 0.566283333 578 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C8H7NO2 1.681048669 Arginyl-Glycine 232.1402762 0.607833333 85624 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+H C8H17N5O3 -0.604265773 Acuminoside 471.2182607 0.607833333 HMDB0029347 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.8 0.0 M+Na C21H36O10 -4.032033823 meta-O-Dealkylated flecainide lactam 369.1032992 0.635583333 HMDB0060832 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.8 0.0 M+Na C15H17F3N2O4 0.106294298 2-(3-Carboxy-3-aminopropyl)-L-histidine 239.1136604 0.663316667 HMDB0011655 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C04441 37.8 0.0 M+H-H2O C10H16N4O4 -0.805922073 L-Anserine 241.1292725 0.663316667 4195 Organic acids and derivatives Peptidomimetics Hybrid peptides 2 C01262 37.8 0.0 M+H, M+NH4, M+H-H2O C10H16N4O3 -1.017351718 Cellotetraose 689.2101662 0.663316667 63206 Unclassified Unclassified Unclassified 3 Unclassified 37.8 0.0 M+Na, M+K C24H42O21 -1.370099344 5-Methylcytidine 275.1347315 0.67715 HMDB0000982 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified 3 Unclassified 37.8 0.0 M+NH4 C10H15N3O5 -1.029066283 (R)-mevalonate 187.0364924 0.718683333 HMDB0059629 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C00418 37.8 0.0 M+NH4, M+K C6H12O4 3.261493661 Arabino-galactose 330.1392625 0.718683333 66619 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C11H20O10 -0.672390144 Glutamylserine 217.0817814 0.73255 HMDB0028828 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+H-H2O C8H14N2O6 -0.497581061 3-Hydroxymethyltriazolopthalazinone 238.0377568 0.7464 3167 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+K C11H9N3O 0.184667516 5-Amino-6-ribitylamino uracil 259.1035962 0.7464 HMDB0011106 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C04732 37.8 0.0 M+H-H2O C9H16N4O6 -0.36161623 Aspartyl-Asparagine 230.0770613 0.76025 HMDB0028748 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+H-H2O C8H13N3O6 -0.346510995 3-Hydroxysulfolane 137.0268436 0.85775 653 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C4H8O3S 1.117674456 Hydroxyprolyl-Threonine 250.1394502 0.871966667 85779 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+NH4 C9H16N2O5 -1.279240569 Isobergaptol 185.0233062 0.91435 72019 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H-H2O C11H6O4 -0.070455056 Aspartyl-Leucine 264.1551247 0.92845 HMDB0028757 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 37.8 0.0 M+NH4 C10H18N2O5 -1.107066786 (+)-(S)-Carvone 133.1012461 0.94255 HMDB0004487 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C11383 37.8 0.0 M+H-H2O C10H14O 0.461260476 N-Acetylhistamine 154.09747 1.070083333 HMDB0013253 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives 2 C05135 37.8 0.0 M+H C7H11N3O -0.120211722 Pefloxacin 351.1826248 1.070083333 HMDB0014630 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Unclassified Unclassified 37.8 0.0 M+NH4 C17H20FN3O3 -0.211404395 Cuelure 224.1279292 1.1264 HMDB0033594 Benzenoids Phenol esters Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C12H14O3 -0.92492637 Nitroxoline 208.0715961 1.16885 85514 Organoheterocyclic compounds Quinolines and derivatives Nitroquinolines and derivatives Unclassified Unclassified 37.8 0.0 M+NH4 C9H6N2O3 -0.376453892 Cyclohexylamine 100.1124697 1.199516667 HMDB0031404 Organic nitrogen compounds Organonitrogen compounds Cyclohexylamines Unclassified C00571 37.8 0.0 M+H C6H13N 3.974154657 Aspartyl-Threonine 217.0817821 1.21445 HMDB0028763 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+H-H2O C8H14N2O6 -0.494619253 4-Nitrophenol-alpha-D-galactopyranoside 319.1132859 1.2294 66185 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C12H15NO8 -1.016432303 Phenylethylamine 139.1227593 1.2582 HMDB0012275 Benzenoids Benzene and substituted derivatives Phenethylamines 3 C05332 37.8 0.0 M+NH4 C8H11N -1.780764096 2-Heptanethiol 133.1051245 1.272816667 HMDB0032303 Organosulfur compounds Thiols Alkylthiols Unclassified Unclassified 37.8 0.0 M+H C7H16S 4.364606872 4-Quinolinecarboxylic acid 174.0549338 1.318883333 66397 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C10H7NO2 -0.121896501 Histidinyl-Threonine 239.1137276 1.349116667 HMDB0028895 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+H-H2O C10H16N4O4 -0.54317281 (-)-3,5-Cadinadiene 205.1950175 1.378866667 HMDB0030673 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.8 0.0 M+H C15H24 -0.292193053 (2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol 224.1279813 1.43835 88084 Benzenoids Benzene and substituted derivatives Styrenes Unclassified Unclassified 37.8 0.0 M+NH4 C12H14O3 -0.672284472 Simmondsin 393.1870826 1.4849 HMDB0030394 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 Unclassified 37.8 0.0 M+NH4 C16H25NO9 0.868093229 1,5-Naphthalenediamine 159.091651 1.54975 73157 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C10H10N2 -0.150381021 (R)-(+)-alpha-Terpineol 172.1695299 1.666633333 LMPR0102090028 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C09902 37.8 0.0 M+NH4 C10H18O -0.394611411 Fenitropan 299.1237045 1.666633333 72698 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C13H15NO6 -0.207251028 Perillyl acetate 212.164444 1.683466667 HMDB0037231 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 M+NH4 C12H18O2 -0.315829495 Arginyl-Phenylalanine 322.1867654 1.700233333 HMDB0028716 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 37.8 0.0 M+H C15H23N5O3 -1.870152055 2-Decenoic acid, 9-hydroxy-, [S-(E)]-; (S,E)-(+)-9-Hydroxy-2-decenoic acid 187.1328387 1.884433333 74615 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C10H18O3 -0.172579425 Flindersiachromone 233.0954931 1.884433333 67346 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H-H2O C17H14O2 -2.392224091 2-Butyl-4,5-diethyloxazole 199.1803285 1.96585 HMDB0037891 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 37.8 0.0 M+NH4 C11H19NO -0.890302888 1-Methoxy-4-methylbenzene 105.0701701 10.006 88162 Benzenoids Phenol ethers Anisoles 1 Unclassified 37.8 0.0 M+H-H2O C8H10O 2.403411516 (4S)-Dihydrocurcumenone 254.2112438 10.19313333 HMDB0033083 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.8 0.0 M+NH4 C15H24O2 -0.896691157 Eremopetasinorol 209.1534052 10.20936667 HMDB0029668 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 37.8 0.0 M+H C13H20O2 -0.966426621 N-Acetyl desmethyl frovatriptan 256.1455156 10.22548333 HMDB0061158 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 37.8 6.73 M+H-H2O C15H19N3O2 3.942943956 18-Hydroxycortisol 379.2114517 10.24085 57881 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 37.8 0.0 M+H C21H30O6 -0.167553276 16,16-dimethyl-PGE2 403.2454094 10.30253333 36136 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 37.8 0.0 M+Na C22H36O5 -0.224813442 Antibiotic JI-20B 518.278405 10.47075 71868 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+Na C20H41N5O9 -2.510812023 Methyl 2E,4Z-hexadecadienoate 267.2315059 10.56758333 HMDB0031050 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.8 0.0 M+H C17H30O2 -1.317363157 Curcumanolide A 217.1584793 10.59686667 89117 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.8 0.0 M+H-H2O C15H22O2 -0.907205986 8-Deoxy-11,13-dihydroxygrosheimin 281.1380307 10.6612 95572 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.8 0.0 M+H C15H20O5 -1.140578053 8-HETrE 323.2576571 10.6612 LMFA03050030 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.8 0.0 M+H C20H34O3 -1.285446405 Saponin H 668.4361367 10.6612 90881 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.8 0.0 M+NH4, M+Na C36H58O10 -1.056072483 3-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4,6-trihydroxyphenyl]propanoic acid 335.1848746 10.70865 HMDB0134970 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 37.8 0.0 M+H, M+Na, M+H-H2O C19H26O5 -1.273930272 Triamcinolone 417.1691336 10.74158333 HMDB0014758 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids Unclassified Unclassified 37.8 0.0 M+Na C21H27FO6 1.89283139 13'-Carboxy-alpha-tocopherol 461.3620165 10.82331667 HMDB0012555 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 37.8 0.0 M+H C29H48O4 -1.129551537 (3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one 459.3465694 10.85656667 88610 Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids 1 Unclassified 37.8 0.0 M+H-H2O, M+H C29H46O4 -1.010200828 Physeteric acid 227.2002789 10.88935 34738 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.8 0.0 M+H C14H26O2 -1.227289045 Mangiferic acid 263.2365681 11.0171 86507 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.8 0.0 M+H-H2O C18H32O2 -1.334342406 PGJ2 352.2477245 11.06615 3464 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05957 37.8 0.0 M+NH4 C20H30O4 -1.527291383 Limonene aldehyde 167.142931 11.18393333 86834 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 M+H C11H18O -0.666170906 (1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid 286.2373652 11.86308333 LMFA02010015 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 37.8 0.0 M+NH4 C16H28O3 -1.137690894 Glucosylsphingosine 444.3315231 11.92551667 5574 Lipids and lipid-like molecules Sphingolipids Glycosphingolipids 1 C03108 37.8 0.0 M+H-H2O C24H47NO7 -0.956965624 2-tetradecenal 228.2319525 12.21286667 75355 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 37.8 0.0 M+NH4 C14H26O -1.134604779 Methyl farnesoate 251.2002396 12.33828333 64603 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C16H26O2 -1.266671103 Trans-petroselinic acid ethanolamide 336.3255957 13.83355 LMFA08040062 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.8 0.0 M+H-H2O C22H43NO2 -1.402872256 Neopellitorine A 212.1431607 15.60178333 92585 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 37.8 0.0 M+H-H2O C15H19NO -0.939584503 3-Fluoroaniline 112.0561183 15.64555 68772 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C6H6FN 3.732401281 5,8-Dihydroxy-3,4-dihydrocarbostyril 180.0653073 2.061383333 1552 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C9H9NO3 -1.185805491 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one 273.0899839 2.061383333 90139 Benzenoids Naphthalenes Phenylnaphthalenes Unclassified Unclassified 37.8 0.0 M+H-H2O C19H14O3 -3.523437995 Coniferylaldehyde 179.0701445 2.1097 HMDB0141782 Benzenoids Phenols Methoxyphenols 3 C02666 37.8 0.0 M+H C10H10O3 -0.708209706 Alanyl-Lysine 200.1393406 2.125966667 85608 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+H-H2O C9H19N3O3 -0.058351556 3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole 179.1177545 2.240216667 94583 Organoheterocyclic compounds Pyrroles Substituted pyrroles Unclassified Unclassified 37.8 0.0 M+NH4 C10H11NO -0.838246639 beta-Alanyl-L-lysine 200.139333 2.387916667 HMDB0060442 Organic acids and derivatives Peptidomimetics Hybrid peptides 2 C05341 37.8 0.0 M+H-H2O C9H19N3O3 -0.093404992 2-(2-hydroxy-3,4-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)acetonitrile 398.1411695 2.437616667 HMDB0125513 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.8 0.0 M+Na C16H25NO9 -2.618979624 Isobornyl isobutyrate 207.1742463 2.4711 HMDB0032342 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 M+H-H2O C14H24O2 -0.425900142 Rhexifoline 225.1231911 2.504266667 68065 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C11H13NO3 -0.857987774 Sulfadimidine 279.0908706 2.73235 2529 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified C19530 37.8 0.0 M+H C12H14N4O2S -0.548546869 5-Hydroxyprimaquine 276.170554 2.865033333 2080 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C15H21N3O2 -0.361212358 aminohippuric acid 212.1028712 3.050183333 3927 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified D06890 37.8 0.0 M+NH4 C9H10N2O3 -0.497567533 (S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran 252.1228576 3.101233333 87009 Organoheterocyclic compounds Coumarans Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C13H14O4 -0.755358869 Isobutylglycine 269.1241291 3.152333333 6397 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C11H16N4O4 -1.127523918 Lathosterol 369.3512665 3.422833333 LMST01010089 Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids 2 C01189 37.8 0.0 M+H-H2O C27H46O -0.805978604 1-Nitrosonaphthalene 175.0865616 3.593083333 70322 Benzenoids Naphthalenes Unclassified 2 C14788 37.8 0.0 M+NH4 C10H7NO -0.17697012 3-Hydroxymelatonin 251.1387403 3.8315 HMDB0060742 Organoheterocyclic compounds Indoles and derivatives Indolines Unclassified Unclassified 37.8 0.0 M+H C13H18N2O3 -1.113720038 L-threo-3-Phenylserine 199.1077956 4.2137 65948 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+NH4 C9H11NO3 0.424591568 Prilocaine 238.1912174 4.31095 HMDB0014888 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C07531 37.8 0.0 M+NH4 C13H20N2O -0.778529837 Bufuralol 279.2067465 4.359933333 69695 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C16H23NO2 0.160724585 Isodesmosine 564.241088 4.359933333 5707 Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Unclassified Unclassified 37.8 0.0 M+K C24H39N5O8 -3.680622184 Radicinin 254.1022048 4.376416667 85102 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C12H12O5 -0.399006284 2-Pyridylacetylglycine 212.1030574 4.55555 1311 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C9H10N2O3 0.462043741 2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- 282.1812625 4.682216667 1944 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C14H20N2O3 0.1682947 Glabrin D 762.3448327 4.682216667 HMDB0033613 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+Na C36H49N7O10 2.057550191 Glutaminylphenylalanine 311.1710164 4.7151 HMDB0028804 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+NH4 C14H19N3O4 -1.246024945 N-Feruloylglycyl-L-phenylalanine 416.1818058 4.74755 86217 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+NH4 C21H22N2O6 0.486960274 5-[3-methoxy-4-(sulfooxy)phenyl]pentanoic acid 343.0247685 4.825566667 HMDB0127792 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.8 0.0 M+K C12H16O7S -0.208756463 PG(14:1(9Z)/0:0) 477.2235824 4.932916667 80023 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 37.8 0.0 M+Na C20H39O9P 2.624802167 Sinapine 327.1914896 4.9501 64183 Alkaloids and derivatives Morphinans Unclassified Unclassified C00933 37.8 0.0 M+NH4 C16H23NO5 0.133315636 bk-DMBDB 253.1547047 4.983366667 96733 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C13H17NO3 0.151951692 Casimiroedine 435.2239281 4.983366667 68399 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C21H27N3O6 0.28027233 Creatinol-O-Phosphate 215.0911867 5.047433333 73577 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C4H12N3O4P 4.15437895 Methylthiobenzoylglycine 229.0641854 5.047433333 2540 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C9H9NO3S 0.21651138 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid 481.2292224 5.0956 98331 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 37.8 0.0 M+H-H2O C21H38O13 2.547801463 1-(m-Methoxycinnamoyl)pyrrolidine 249.1597874 5.144516667 HMDB0038839 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.8 0.0 M+NH4 C14H17NO2 0.143134972 2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose 368.1566846 5.207283333 HMDB0005817 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.8 0.0 M+H C14H25NO10 4.254978688 RETUSOQUINONE 161.0960821 5.239483333 43959 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C11H12O -0.058089107 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside 389.1819685 5.2563 HMDB0041552 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.8 0.0 M+H C18H28O9 3.502445141 Isopentenyladenine 204.1236465 5.348566667 6612 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C10H13N5 -3.571094098 CAY10499 373.1490662 5.348566667 64628 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C18H17N3O5 -4.449222512 E,E-Dienestrol-2,3-oxide 300.1592036 5.364233333 2001 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C18H18O3 -0.767025467 2-Methyl-3'-hydroxyphenylpropionic acid 181.0858745 5.3953 1517 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C10H12O3 -0.2562668 Tropolone 105.0338403 5.41175 70933 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H-H2O C7H6O2 2.860436748 coumarin-SAHA 347.1599957 5.41175 64949 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C18H22N2O5 -0.440738681 FENBUTYRAMIDE 181.1335014 5.427633333 43876 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C10H13NO -0.234192626 mLPA(O-18:0) 477.2729439 5.427633333 LMGP00000065 Lipids and lipid-like molecules Glycerophospholipids Other Glycerophospholipids Unclassified Unclassified 37.8 0.0 M+K C22H47O6P -2.829183306 D-NMAPPD 445.2655884 5.44365 44921 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+Na C23H38N2O5 -4.03665254 2-(4-Methylphenyl)propanal 131.0856274 5.474733333 89225 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 M+H-H2O C10H12O 0.679669069 Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate 208.096807 5.50615 HMDB0039359 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.8 0.0 M+NH4 C11H10O3 -0.066757955 Polystyrene sulfonate 202.0532182 5.521966667 HMDB0015435 Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Unclassified Unclassified 37.8 0.0 M+NH4 C8H8O3S -0.122191824 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside 419.1921543 5.537433333 HMDB0040353 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.8 0.0 M+H C19H30O10 2.345166201 Gentioflavine 194.0812566 5.553333333 68049 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C10H11NO3 0.450337582 N-(3-Oxododecanoyl)homoserine lactone 315.2276022 5.586183333 69239 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C16H27NO4 -0.779599768 Caracurine V 585.3239095 5.586183333 67427 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 5.56 M+H C38H40N4O2 2.578256524 13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 379.2589374 5.619533333 96535 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H-H2O C20H30D4F2O5 -0.787356046 Diacetylfusarochromanone 394.1972363 5.650983333 93579 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 37.8 0.0 M+NH4 C19H24N2O6 -0.068524673 Ethyl 2Z,4E-decadienoic acid 214.1800856 5.66695 HMDB0036599 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C08486 37.8 0.0 M+NH4 C12H20O2 -0.35596513 3,4,5-trihydroxy-6-({2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid 529.1450869 5.697833333 HMDB0130297 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 37.8 0.0 M+K C25H30O10 -4.015515352 Peonidin 3-galactoside-5-glucoside 625.1750995 5.745083333 46997 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C28H32O16 -1.94152692 1-Phenyl-1-pentanone 145.1011096 5.793616667 87496 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.8 0.0 M+H-H2O C11H14O -0.414737355 N,N,O-Tridesmethyltramadol 239.1750834 5.793616667 HMDB0060850 Benzenoids Benzene and substituted derivatives Cyclohexylphenols Unclassified Unclassified 37.8 0.0 M+NH4 C13H19NO2 -1.451403374 (4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone 185.1172447 5.82695 72827 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C10H16O3 0.129925324 Succinylcholine 289.2118051 5.82695 2521 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Unclassified C07546 37.8 0.0 M+H C14H28N2O4 -1.31414215 1-Naphthylmethanol glucuronide 357.093335 5.877366667 2761 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+Na C17H18O7 -3.40788733 trans-Zeatin-O-glucoside riboside 536.1979924 5.9279 HMDB0032880 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 37.8 3.94 M+Na C21H31N5O10 3.272486026 HMB-Val-Ser-Leu-VE 488.2746742 5.961266667 64627 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H-H2O, M+Na C26H39N3O7 -1.658756184 2-Hydroxylauroylcarnitine 360.2740494 6.011633333 LMFA07070032 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.8 0.0 M+H C19H37NO5 -1.114371184 N-linolenoyl-glutamine 424.3166003 6.044966667 45743 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified Unclassified 37.8 0.0 M+NH4 C23H38N2O4 -0.94243741 3,5-Dicarbethoxy-1,4-dihydrocollidine 285.1805447 6.1705 96362 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C14H21NO4 -1.268994989 xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole 235.1326655 6.218066667 92602 Organoheterocyclic compounds Imidolactams Unclassified 1 Unclassified 37.8 0.0 M+K C10H20N4 3.623028372 8-keto palmitic acid 288.2531027 6.249683333 LMFA01060055 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.8 0.0 M+NH4 C16H30O3 -0.80558936 Isoeugenyl acetate 224.1279423 6.282966667 HMDB0032348 Benzenoids Phenol esters Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C12H14O3 -0.861611741 PROGLUMIDE 335.1957279 6.34955 43472 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C18H26N2O4 -2.411238856 (+)-2,5-epi Goniothalesdiol 249.1119029 6.416 64661 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H-H2O C14H18O5 -0.873598644 Indoramin 386.1628653 6.465933333 830 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+K C22H25N3O -0.159090461 Boc-Pro-DVal(NMe)-Val-OMe 424.2800683 6.48265 65474 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H-H2O C22H39N3O6 -1.199819542 6,9,12,15-hexadecatetraenoic acid 249.1845832 6.6307 34836 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C16H24O2 -1.302380012 Leu-leu-tyr 408.2488274 6.64695 68996 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.373 M+H C21H33N3O5 -1.154683816 Citrusinine I 302.1019568 6.7273 HMDB0030374 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 37.8 0.0 M+H, M+NH4 C16H15NO5 -1.136571987 5-(4-hydroxyphenyl)pentanoic acid 212.1279448 6.75725 HMDB0132270 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.8 0.0 M+NH4 C11H14O3 -0.901663478 PHOHA-PE 576.3304794 6.75725 LMGP20020019 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 37.8 0.0 M+H-H2O C28H52NO10P 1.490083745 2-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4-dihydroxyphenyl]-2-hydroxyacetic acid 321.1684854 6.772616667 HMDB0134978 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 M+H, M+NH4 C18H24O5 -3.638551274 CAY10598 384.2476848 6.772616667 45515 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H-H2O, M+H C21H29N5O2 -3.191902435 AG-490 312.1339022 6.832883333 45246 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C17H14N2O3 -1.243391393 Oxalic acid dibutyl ester 203.1275539 6.892733333 HMDB0040196 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Unclassified Unclassified 37.8 0.0 M+H C10H18O4 -1.145672009 Ethyl 3-phenylpropanoate 179.1065426 6.9078 94919 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.8 0.0 M+H C11H14O2 -0.63751568 Sphingofungin E 418.2794383 6.9078 53965 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 37.8 0.0 M+H C21H39NO7 -1.176026364 1-Naphthol 162.0912618 7.0212 HMDB0012138 Benzenoids Naphthalenes Naphthols and derivatives 2 C11714 37.8 0.0 M+NH4 C10H8O -0.545483471 Pilosine 287.1388325 7.037866667 68426 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C16H18N2O3 -0.651311421 Melicopicine 347.1602812 7.037866667 68526 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C18H19NO5 0.404102731 C17 Sphinganine-1-phosphate 390.2382622 7.103816667 102934 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 37.8 0.0 M+Na C17H38NO5P 0.766631726 Conchosin A 279.1224989 7.186683333 67633 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C15H18O5 -0.723511132 Desacetylcolchicine 375.1911939 7.236083333 1913 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C20H23NO5 -0.71248371 Carvyl acetate 177.1272672 7.30255 92818 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 M+H-H2O C12H18O2 -0.640785763 Esmolol 313.2116878 7.46925 2576 Benzenoids Phenol ethers Unclassified Unclassified C06980 37.8 0.0 M+NH4 C16H25NO4 -1.680241628 Dihydroechinofuran 276.1592059 7.552183333 64011 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C16H18O3 -0.829406026 Convolvine 309.1804169 7.585266667 68634 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C16H21NO4 -1.603098306 TXA2 353.2313674 7.709683333 LMFA03030001 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C02198 37.8 0.0 M+H C20H32O5 -2.507386033 Himbacine 363.3000161 7.738483333 68418 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C22H35NO2 -1.705209484 11-HpODE 335.2211998 7.79655 HMDB0062281 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C07338 37.8 0.0 M+H, M+Na C18H32O4 -1.685089766 Hydroxybuprenorphine 484.3080598 7.924783333 HMDB0060547 Benzenoids Phenanthrenes and derivatives Unclassified Unclassified Unclassified 37.8 0.0 M+H C29H41NO5 4.779616055 (R)-2-Acetoxy-p-mentha-1,8-diene 177.1272418 8.0225 HMDB0037389 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 M+H-H2O C12H18O2 -0.771609039 1,3,8-Naphthalenertriol 177.054508 8.119833333 65567 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C10H8O3 -0.639358015 2-(1-Pyrrolidinyl)-3-pentanone 173.1647269 8.184433333 HMDB0039834 Organoheterocyclic compounds Pyrrolidines N-alkylpyrrolidines Unclassified Unclassified 37.8 0.0 M+NH4 C9H17NO -0.727386021 10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one 243.1376776 8.184433333 HMDB0036456 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09695 37.8 0.0 M+NH4, M+H-H2O C16H20O3 -1.162784366 9-Carboxymethoxymethylguanine 262.0545911 8.216633333 HMDB0060805 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 37.8 0.0 M+Na C8H9N5O4 -0.348690305 P1,P4-Bis(5'-adenosyl) tetraphosphate (AppppA) 837.0559136 8.535433333 3698 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C20H28N10O19P4 0.44489355 Allotetrahydrocortisone 382.2582831 8.549466667 3172 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C21H32O5 -1.418114896 N-(3-oxo-octadecanoyl)-homoserine lactone 371.2899963 8.608466667 LMFA08030016 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.8 0.0 M+NH4 C20H35NO4 -1.239553897 8,11,14-Eicosatrienoic acid 307.2626872 8.733933333 HMDB0002925 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C03242 37.8 0.0 M+H C20H34O2 -1.533165784 1-O-(2-methoxy-hexadecyl)-sn-glycerol 347.3151091 8.845266667 LMGL01020037 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 37.8 0.0 M+H-H2O, M+H C20H42O4 -1.42604888 delta9-4-NeuroF 417.2242926 8.90535 LMFA04020002 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 37.8 0.0 M+NH4, M+Na C22H34O6 -0.905935742 1(10),11-Eremophiladiene-2,9-dione 215.1428138 8.9475 HMDB0035412 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.8 0.0 M+H-H2O C15H20O2 -0.981459435 6'-Epipravastatin 442.2792458 9.16015 2056 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+NH4 C23H36O7 -1.610552238 alpha-Terpinyl anthranilate 274.1798018 9.317566667 HMDB0038051 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 M+H C17H23NO2 -1.294646623 Phenethyl decanoate 294.2424501 9.317566667 88481 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.8 0.0 M+NH4 C18H28O2 -1.106297802 13-Deoxytedanolide 595.3480869 9.581783333 71393 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+H C32H50O10 0.694412657 9,12-dimethoxy-13-hydroxy-10-octadecenoic acid 381.2620493 9.807416667 74816 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.8 0.0 M+Na C20H38O5 2.524029142 Nonyl octanoate 288.2893508 9.8359 89730 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.8 0.0 M+NH4 C17H34O2 -1.313809118 4,5-Epoxy-11(13)-guaien-12,8-olide 231.1377507 9.895616667 88590 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.8 0.0 M+H-H2O C15H20O3 -0.82844199 6-O-Acetylaustroinulin 382.2947262 9.911833333 91818 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.8 0.0 M+NH4 C22H36O4 -1.25999128 Acoric acid 269.1743411 9.960066667 HMDB0038165 Lipids and lipid-like molecules Prenol lipids Monoterpenoids Unclassified Unclassified 37.8 0.0 M+H C15H24O4 -1.471522544 Naphthalene-1,2-diol 161.059588 0.00225 65883 Benzenoids Naphthalenes Naphthols and derivatives 2 C03012 37.7 0.0 M+H C10H8O2 -0.736665048 Palmitelaidic acid 237.2209911 0.00225 HMDB0012328 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.7 0.0 M+H-H2O C16H30O2 -1.183372717 Rhodinyl isovalerate 241.2159303 0.00225 HMDB0037190 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.7 0.0 M+H-H2O, M+H C15H28O2 -1.192048576 5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric acid 274.1393808 0.580133333 1764 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C11H16N2O5 -1.430442536 Lysyl-Threonine 248.1603174 0.607833333 HMDB0028961 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+H C10H21N3O4 -0.66834365 Acyclovir 226.0933029 0.67715 789 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C06810 37.7 0.0 M+H C8H11N5O3 -0.723147737 Histidinyl-Alanine 244.14033 0.67715 HMDB0028878 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+NH4 C9H14N4O3 -0.37967004 Neuraminic acid 250.0921028 0.67715 HMDB0000830 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C06469 37.7 0.0 M+H-H2O C9H17NO8 -0.09536257 N-Succinyl-L,L-2,6-diaminopimelate 308.1446087 0.690983333 HMDB0012267 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C04421 37.7 0.0 M+NH4 C11H18N2O7 -2.129442609 Saxitoxin 322.1241591 0.73255 69686 Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Unclassified Unclassified C13757 37.7 0.0 M+Na, M+K C10H17N7O4 2.461584662 Tiopronin 146.0269675 0.7464 69503 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O C5H9NO3S -0.358460579 beta-Alanyl-L-arginine 228.14551 0.774083333 HMDB0060441 Organic acids and derivatives Peptidomimetics Hybrid peptides 2 C05340 37.7 0.0 M+H-H2O C9H19N5O3 0.035564567 Lactitol dihydrate 363.1504491 1.0006 69591 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O C12H28O13 1.963494591 Lysyl-Aspartate 244.1291076 1.01445 HMDB0028947 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+H-H2O C10H19N3O5 -0.286579441 Benserazide 258.1083714 1.01445 1290 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O, M+H C10H15N3O5 -0.667571164 XE991 377.1661722 1.056116667 69700 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 3.9 M+H C26H20N2O 3.542378501 Hyaluronic acid 426.1603228 1.056116667 58088 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00518 37.7 0.0 M+H C16H27NO12 -0.656119549 2-Methylpiperidine 100.1124912 1.084133333 HMDB0032416 Organoheterocyclic compounds Piperidines Unclassified Unclassified Unclassified 37.7 0.0 M+H C6H13N 4.19109726 2,4-HEXADIENOIC ACID ISOBUTYLAMIDE 185.164897 1.084133333 84969 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C10H17NO 0.343029322 MCI-186 175.0865374 1.1264 44360 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C10H10N2O -0.298526937 3-Nitrotyrosine 227.0661532 1.16885 HMDB0001904 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+H C9H10N2O5 -0.418900559 7-Ethoxycoumarin 208.0966129 1.21445 4091 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C11H10O3 -1.088157439 Neosaxitoxin 316.1363742 1.2582 HMDB0029369 Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Unclassified Unclassified C17208 37.7 0.0 M+H C10H17N7O5 -0.059915653 omega-hydroxy hendecanoic acid 225.1455609 1.394083333 LMFA01050035 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.7 0.0 M+Na C11H22O3 -2.742096887 Oxoamide 175.0866159 1.42375 5934 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.7 0.0 M+H-H2O C10H12N2O2 0.137975032 4E-Decenedioic acid 201.1121292 1.4849 74920 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.7 0.0 M+H C10H16O4 -0.031123736 Pyrocoll 204.0767649 1.516783333 HMDB0033163 Organoheterocyclic compounds Pyrrolopyrazines Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C10H6N2O2 0.064259914 N-Valerylglycine methyl ester 156.1019452 1.54975 5650 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O C8H15NO3 0.231671298 4-(dimethylamino)azobenzene n-oxide 280.0849673 1.700233333 4085 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+K C14H15N3O 1.232336732 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 366.1320803 1.733633333 58114 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M+H-H2O, M+H C14H23NO10 0.326785704 O-Methylisoetharine sulfate 334.1317264 1.783966667 846 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C14H23NO6S -0.475828863 1,2-Dihydroxymint lactone 199.0965251 1.8003 67967 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C10H14O4 0.200574941 (R)-Lisofylline 263.1500825 1.933416667 45571 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O C13H20N4O3 -0.605983809 Norecasantalol 149.1323754 10.006 91829 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.7 0.0 M+H-H2O C11H18O -0.611481077 Quinestrol 382.2733898 10.06631667 LMST02010037 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Unclassified C07619 37.7 0.0 M+NH4 C25H32O2 -1.828428232 1-Phenyl-1,3-heptadecanedione 345.2783897 10.12943333 HMDB0035582 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.7 0.0 M+H C23H36O2 -1.211680427 NAGABA 407.3264485 10.17686667 46556 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+NH4 C24H39NO3 -0.953259438 17alpha,21-Dihydroxypregnenolone 349.2368405 10.19313333 HMDB0006762 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05487 37.7 0.0 M+H C21H32O4 -1.422749688 11,14,17-Eicosatrienoic acid 307.2627602 10.30253333 HMDB0060039 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16522 37.7 0.0 M+H C20H34O2 -1.294753854 C8-Dihydroceramide 466.3638971 10.30253333 43404 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+K C26H53NO3 -4.224384953 Pivaloylcarnitine 246.1697295 10.36001667 HMDB0041993 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 Unclassified 37.7 0.0 M+H C12H23NO4 -1.04094477 (R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol 369.2783419 10.40653333 HMDB0036013 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.7 0.0 M+H C25H36O2 -1.262588982 2-Ethoxy-1-methyl-4-(1-methylethyl)benzene 179.1429026 10.53591667 HMDB0037272 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.7 0.0 M+H C12H18O -0.780187364 methyl 9,10-Epoxy-11,13-docosadiynoate 343.2627707 10.55191667 LMFA01070038 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.7 0.0 M+H-H2O, M+H C23H36O3 -1.071741759 (3-Methyl-2-butenyl)-benzene 147.1167135 10.56758333 HMDB0061808 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.7 0.0 M+H C11H14 -0.775834012 16-Feruloyloxypalmitate 466.3159102 10.72515 72077 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C26H40O6 -0.901949719 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 884.5327539 10.96895 78509 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines 1 Unclassified 37.7 0.0 M+H-H2O, M+H C50H78NO10P 1.386904961 2-Hydroxymyristic Acid 267.1951687 11.0503 6579 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.7 0.0 M+H-H2O, M+Na C14H28O3 -1.253849348 Callystatin A 457.3307009 11.26565 71412 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C29H44O4 -1.17328241 3-Cyclohexyldodecane 270.3152265 11.36115 91489 Hydrocarbons Saturated hydrocarbons Cycloalkanes Unclassified Unclassified 37.7 0.0 M+NH4 C18H36 -1.19001043 7Z,10Z-hexadecadienoic acid 253.2158694 11.6173 LMFA01030807 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.7 0.0 M+H C16H28O2 -1.336669586 2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene 276.2319078 11.75645 HMDB0061860 Benzenoids Tetralins Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C18H26O -1.096928055 2,4-Diisopropyl-5-methylphenol 193.1586053 11.80243333 86528 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.7 0.0 M+H C13H20O -0.44980567 Ethylene brassylate 271.1900393 11.95813333 HMDB0040459 Phenylpropanoids and polyketides Macrolides and analogues Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O, M+H C15H26O4 -1.192381984 5S-HETE di-endoperoxide 403.2322947 12.71798333 74966 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 37.7 0.0 M+H, M+Na C20H34O8 -0.869659717 5,10-Pentadecadien-1-ol 242.2475436 12.92051667 LMFA05000631 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.7 0.0 M+NH4 C15H28O -1.326689722 1-O-(2R-hydroxy-octadecyl)-sn-glycerol 378.3572919 13.36593333 LMGL01020064 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 37.7 0.0 M+NH4 C21H44O4 -1.369743999 1-O-(2R-methoxy-hexadecyl)-sn-glycerol 364.3416201 13.99901667 LMGL01020039 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 37.7 0.0 M+NH4, M+Na C20H42O4 -1.487778612 cis-gondoic acid 328.3205735 14.05841667 3554 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16526 37.7 0.0 M+NH4 C20H38O2 -1.393989169 alpha-Triticene 223.2054106 14.98171667 87302 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 37.7 0.0 M+H C15H26O -1.040975296 8-Hydroxythioguanine 166.0177649 2.04585 HMDB0060804 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 37.7 0.0 M+H-H2O C5H5N5OS -2.336499719 3-Decenoic acid 188.164417 2.1097 HMDB0031002 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.7 0.0 M+NH4 C10H18O2 -0.519475275 Semilepidinoside A 354.165955 2.1097 88998 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M+NH4 C16H20N2O6 -0.020638558 Phlorisovalerophenone 228.1229013 2.125966667 66632 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 C07350 37.7 0.0 M+NH4 C11H14O4 -0.63363736 Thujyl alcohol 172.1694527 2.1582 HMDB0032530 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.7 0.0 M+NH4 C10H18O -0.895223141 N'-Formylkynurenine 254.1132636 2.191183333 HMDB0001200 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified C02406 37.7 0.0 M+NH4 C11H12N2O4 -1.138820868 Trp derivative 224.0915099 2.256333333 65424 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C11H13NO4 -1.006185537 1-(3,4-Dimethoxyphenyl)ethane-1,2-diol 199.096427 2.339433333 71279 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C10H14O4 -0.294539582 HDBA 293.1127662 2.339433333 44870 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C14H13NO5 -1.56996784 2E-Decenedioic acid 201.1120508 2.4209 LMFA01170032 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.7 0.0 M+H C10H16O4 -0.42302728 2-Nitronaphthalene 191.0814292 2.7808 73168 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C10H7NO2 -0.43197912 Fenchol 172.1694708 2.8985 HMDB0034932 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C02344 37.7 0.0 M+NH4 C10H18O -0.777929731 6,9-dioxo-decanoic acid 201.1120753 3.033166667 74718 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.7 0.0 M+H C10H16O4 -0.300521209 6-Hydroxy-3-succinoylpyridine 213.0868416 3.18635 73269 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C9H9NO4 -0.726316243 Glycerol tributanoate 341.1353908 3.456883333 HMDB0031094 Lipids and lipid-like molecules Glycerolipids Triradylcglycerols 1 C13870 37.7 0.0 M+K C15H26O6 -2.335695175 Cyhalofop-butyl 380.1271447 3.490866667 72406 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+Na C20H20FNO4 0.805509952 Butyl undecylenate 241.2159769 3.7463 91561 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.7 0.0 M+H C15H28O2 -0.955922547 Darlingine 220.1330209 3.8656 68635 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C13H17NO2 -0.840942415 3-Indoleacetonitrile 157.0759367 4.04825 3278 Organoheterocyclic compounds Indoles and derivatives Indoles 2 C02938 37.7 0.0 M+H C10H8N2 -0.564107648 Pyriminobac 365.1452881 4.196733333 72651 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C16H17N3O6 -0.785686057 2,6-Dihydroxy-N-methylmyosmine 210.1237437 4.294566667 63888 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C10H12N2O2 0.210886951 3,4,5-trihydroxy-6-(1H-indole-3-carbonyloxy)oxane-2-carboxylic acid 355.1134256 4.393 HMDB0134938 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M+NH4 C15H15NO8 -0.493620425 Penicillamine 150.0581632 4.47545 HMDB0014997 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C07418 37.7 0.0 M+H C5H11NO2S -1.092531151 Dinor-7-NO2-CLA 298.2014095 4.540083333 LMFA01120007 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.7 0.0 M+H C16H27NO4 0.419602092 (4-ethyl-2-methoxyphenyl)oxidanesulfonic acid 250.0744816 4.650983333 HMDB0127988 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.7 0.0 M+NH4 C9H12O5S 0.480844548 L-Olivosyl-oleandolide 539.2823406 4.682216667 LMPK04000032 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides 2 C11991 37.7 0.0 M+Na C26H44O10 -0.634737594 Glutaminyltryptophan 333.1554836 4.8098 HMDB0028808 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+H C16H20N4O4 -0.746418253 9-keto Fluprostenol 457.1816598 4.8098 45700 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C23H27F3O6 -3.485306149 4-Hydroxyindole 116.0497694 4.871 34514 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O C8H7NO 2.207949872 p-Cresol glucuronide 285.0982064 4.916283333 62424 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M+H C13H16O7 4.671572584 Linalool oxide D 3-[apiosyl-(1->6)-glucoside] 465.2345953 4.916283333 87620 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M+H C21H36O11 3.353843463 Pilocarpidine 212.1393909 4.9501 71960 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C10H14N2O2 0.193857576 Lysyl-Alanine 200.13941 5.047433333 HMDB0028944 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+H-H2O C9H19N3O3 0.261463951 Vicenistatin 539.3226819 5.047433333 71023 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+K C30H48N2O4 -3.76573254 11,12-Dimethoxydihydrokawain 310.1651153 5.063266667 HMDB0030767 Phenylpropanoids and polyketides Kavalactones Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C16H20O5 0.739491092 SPIPERONE 413.2351237 5.063266667 43483 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C23H26FN3O2 0.993976515 PS(6:0/6:0) 473.224121 5.0956 40805 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.7 0.0 M+NH4 C18H34NO10P -3.816853825 3'-Demethoxypiplartine 305.1498701 5.2563 68328 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C16H17NO4 0.997900824 (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 222.1699552 5.272583333 LMFA05000554 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.7 0.0 M+NH4 C10H20O4 -0.144336593 cis-Hinokiresinol 270.1486701 5.348566667 68443 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C17H16O2 -0.734580891 Pelargonidin 3,7-di-glucoside 595.1654214 5.348566667 46837 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C27H30O15 -0.547422602 Secoisolariciresinol 380.2069834 5.44365 72069 Lignans, neolignans and related compounds Dibenzylbutane lignans Dibenzylbutanediol lignans 2 C18167 37.7 0.0 M+NH4 C20H26O6 0.605483006 5,6,7,8-Tetrahydro-2,4-dimethylquinoline 179.1542802 5.4597 86436 Organoheterocyclic compounds Quinolines and derivatives Hydroquinolines Unclassified Unclassified 37.7 0.0 M+NH4 C11H15N 0.032135752 Glabranin 342.1696746 5.4597 52653 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 C09752 37.7 0.0 M+NH4 C20H20O4 -0.956427938 S-Acetyldihydrolipoamide 267.1204281 5.474733333 HMDB0001526 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 C01136 37.7 3.92 M+NH4 C10H19NO2S2 3.53979549 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid 360.2741673 5.474733333 HMDB0040901 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.7 0.0 M+NH4 C19H34O5 -0.825138878 Isoetharine 257.1857307 5.521966667 HMDB0014366 Benzenoids Phenols Benzenediols Unclassified C07053 37.7 0.0 M+NH4 C13H21NO3 -0.99664311 Delphinidin 3-(6''-malonylsambubioside) 683.1450489 5.537433333 47072 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C29H30O19 -0.522334149 5-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol 195.1016365 5.553333333 HMDB0133193 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 37.7 0.0 M+H-H2O, M+H C11H14O3 0.015540494 3-Butylidene-7-hydroxyphthalide 222.1124205 5.553333333 68011 Organoheterocyclic compounds Isocoumarans Isobenzofuranones Unclassified Unclassified 37.7 0.0 M+NH4 C12H12O3 -0.241583611 Gibberellin A1 366.1914792 5.569416667 LMPR0104170001 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C00859 37.7 0.0 M+NH4 C19H24O6 1.048971799 Nelumboside 623.1236396 5.586183333 HMDB0038464 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.7 0.0 M+H-H2O C27H28O18 -0.993833257 (R)-3-(4-Hydroxyphenyl)lactate 165.0545976 5.6028 66089 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O C9H10O4 -0.125824169 Knightinol 290.1748768 5.635316667 68636 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C17H23NO3 -0.668306802 Valeroidine 242.174932 5.66695 68643 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C13H23NO3 -0.57222101 (Z)-N-Coumaroyl-5-hydroxyanthranilic acid 317.1130296 5.697833333 HMDB0038577 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified C08472 37.7 0.0 M+NH4 C16H13NO5 -0.563169125 Phalaenopsine T 400.1532485 5.697833333 68276 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+K C20H27NO5 3.232363389 Dimethylbenzyl carbinyl crotonate 219.1378404 5.7291 88276 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 37.7 0.0 M+H C14H18O2 -0.531267899 2,3-dinor Prostaglandin E1 327.2166498 5.76095 45460 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C18H30O5 0.15122569 1,8-Dihydroxy-3-methylnaphthalene 192.1018397 5.9279 69444 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C11H10O2 -0.37586879 PF-622 385.1423272 5.944716667 64709 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+K C21H22N4O -0.555131062 homosalate 245.1533836 6.011633333 4065 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O C16H22O3 -0.849568782 Linalyl benzoate 276.1956606 6.011633333 HMDB0030431 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.7 0.0 M+NH4 C17H22O2 -0.56133568 Zolpidem 325.2009863 6.011633333 HMDB0005023 Organoheterocyclic compounds Azoles Imidazoles Unclassified C07219 37.7 0.0 M+NH4 C19H21N3O -4.237325941 Erythratidine 349.2122374 6.011633333 67684 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C19H25NO4 0.161745285 2-(Methylthio)-3H-phenoxazin-3-one 244.0425598 6.044966667 HMDB0035996 Organoheterocyclic compounds Benzoxazines Phenoxazines Unclassified Unclassified 37.7 0.0 M+H C13H9NO2S -0.477982004 ACETOSYRINGONE 197.0807641 6.061516667 43832 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C10H12O4 -0.363213629 Quassinol 361.1643946 6.061516667 92200 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.7 0.0 M+H C20H24O6 -0.472977967 9,10-Epoxy-18-hydroxystearate 332.2794803 6.0775 73267 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C19620 37.7 0.0 M+NH4 C18H34O4 -0.174226276 Cinncassiol C2 365.1953933 6.0775 71838 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C17642 37.7 0.0 M+H C20H28O6 -1.295351129 Polysorbate 20 540.3750636 6.0775 92150 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Unclassified C11624 37.7 0.0 M+NH4 C26H50O10 1.608610987 Forskolin 428.2638177 6.1705 53589 Organoheterocyclic compounds Benzofurans Benzofuranones Unclassified C17854 37.7 0.0 M+NH4 C22H34O7 -1.124284467 3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside 287.113627 6.18665 HMDB0038964 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.7 0.0 M+H C13H18O7 3.83646395 5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone 389.1225357 6.3162 49373 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H, M+Na C20H20O8 -1.438659296 Acetyleugenol 189.0909209 6.332866667 70162 Benzenoids Phenol esters Unclassified Unclassified C14567 37.7 0.0 M+H-H2O C12H14O3 -0.413202211 Deoxydihydro-artemisinin 286.2011672 6.332866667 HMDB0060570 Organoheterocyclic compounds Dioxolopyrans Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C15H24O4 -0.438588827 Macrozamin 385.1466477 6.366616667 67026 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C13H24N2O11 3.544860986 Dodecanoic acid, 3-hydroxy-, (R)-; Dodecanoic acid, 3-hydroxy-, D-(-)- (8CI); (3R)-3-Hydroxydodecanoic acid; D-(-)-3-Hydroxydodecanoic acid; D-3-Hydroxydodecanoic acid 234.2061516 6.399633333 74616 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C12H24O3 -1.011254794 3b,9b-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide 365.1942362 6.432616667 HMDB0041226 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.7 3.64 M+H C20H28O6 -4.472446058 Neryl glucoside 317.1954043 6.465933333 HMDB0029346 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.7 0.0 M+H C16H28O6 -1.457139643 MEFEXAMIDE 298.2122112 6.48265 43468 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C15H24N2O3 -1.095758333 Rosmarinine 354.1908381 6.515966667 68291 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C18H27NO6 -0.781363467 Vinblastine 811.4316998 6.53305 HMDB0014710 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C07201 37.7 8.89 M+H C46H58N4O9 4.989914634 6-Methylcoumarin 161.0596157 6.582466667 HMDB0032394 Phenylpropanoids and polyketides Coumarins and derivatives Unclassified 3 Unclassified 37.7 0.0 M+H C10H8O2 -0.563445224 Chaparrolide 384.2376879 6.59905 67177 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C20H30O6 -1.027565083 3-Hydroxy-1,10-bisaboladien-9-one 237.184648 6.742183333 HMDB0034722 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.7 0.0 M+H C15H24O2 -1.094376122 Lycorine 305.1492995 6.788383333 43822 Unclassified Unclassified Unclassified 3 Unclassified 37.7 0.0 M+NH4 C16H17NO4 -0.989238666 Androstenediol 308.2579782 6.9078 LMST02020005 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C04295 37.7 0.0 M+NH4 C19H30O2 -1.473125203 4,8,12,15-Octadecatetraenoic acid 294.2425053 7.269383333 HMDB0032672 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.7 0.0 M+NH4 C18H28O2 -0.9066194 Cocaine 321.1803301 7.30255 1903 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C01416 37.7 0.0 M+NH4 C17H21NO4 -1.825999105 2,3-Dinor-6-keto-PGF1a 323.1845055 7.31915 2560 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.7 0.0 M+H-H2O C18H28O6 -2.33663485 CYMARIN 549.3054206 7.335566667 43835 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H-H2O, M+H C30H44O9 -0.014711411 Propioveratrone 195.1014969 7.368583333 265040 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C11H14O3 -0.380431456 Methyl (2E,6Z)-dodecadienoate 211.1690549 7.368583333 87347 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.7 0.0 M+H C13H22O2 -0.958720671 Roquefortine 372.1834033 7.435933333 HMDB0030381 Organoheterocyclic compounds Indoles and derivatives Pyrroloindoles 1 Unclassified 37.7 2.26 M+H-H2O C22H23N5O2 3.896647648 cyclandelate 277.1794882 7.502433333 3970 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.7 0.0 M+H C17H24O3 -1.205403811 Pregnenolone 299.236648 7.502433333 LMST02030088 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 2 C01953 37.7 0.0 M+H-H2O C21H32O2 -0.929652919 Heptyl p-hydroxybenzoate 254.1748277 7.709683333 70285 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C14718 37.7 0.0 M+NH4 C14H20O3 -1.026212998 (+)-15,16-Dihydroxyoctadecanoic acid 317.2682443 7.82765 HMDB0031008 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.7 0.0 M+H C18H36O4 -1.238581904 enzacamene 272.2005447 7.891566667 4010 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C18H22O -1.361761546 12,13S-EOT 275.2002075 7.891566667 LMFA02000053 Lipids and lipid-like molecules Fatty Acyls Octadecanoids 2 C04672 37.7 0.0 M+H-H2O C18H28O3 -1.194307813 Heritonin 259.132556 7.941333333 68025 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+H C16H18O3 -1.219680303 7-Dehydrocholesterol-3-sulfate ester 482.3294405 8.136066667 LMST03010067 Lipids and lipid-like molecules Sterol Lipids Secosteroids Unclassified Unclassified 37.7 0.0 M+NH4 C27H44O4S -0.89574441 9'-Carboxy-alpha-tocotrienol 387.2524993 8.233266667 HMDB0012867 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.7 0.0 M+H, M+NH4 C24H34O4 -1.260012868 PGA2 335.2211627 8.331033333 3465 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05953 37.7 0.0 M+H C20H30O4 -1.565525962 3-(4-Isopropylphenyl)propanal 159.1165222 8.535433333 HMDB0036171 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.7 0.0 M+H-H2O C12H16O -1.730104525 MG(a-13:0/0:0/0:0)[rac] 289.2370177 8.592716667 HMDB0072841 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.7 0.0 M+H C16H32O4 -1.104102824 Allocortolone 384.2738815 8.608466667 3177 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C21H34O5 -1.55139967 11-cis-Retinol 304.263091 8.624666667 HMDB0006216 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C00899 37.7 0.0 M+NH4 C20H30O -1.397701108 6alpha-Methylpregn-4-ene-3,11,20-trione 343.2263697 8.719533333 70220 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.7 0.0 M+H C22H30O3 -1.173240791 N3'-Acetyltobramycin 532.2576465 9.25525 65882 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+Na C20H39N5O10 -2.487283995 Hydroxyprolyl-Asparagine 263.1350486 9.3831 HMDB0028858 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+NH4 C9H15N3O5 0.214296376 (9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid 353.2300994 9.3831 HMDB0038555 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.7 0.0 M+Na C18H34O5 0.770816277 Allopumiliotoxin 267A 285.2532951 9.43295 73519 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C16H29NO2 -1.345903884 (3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one 475.3412458 9.532 HMDB0035144 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.7 0.0 M+H C29H46O5 -1.170581796 M-Hydroxydesmethylgliquidone 547.2220399 9.63115 3126 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+NH4 C26H31N3O7S -0.107579185 7-hydroxy-10-heptadecen-8-ynoic acid 283.2264245 9.64625 LMFA01050260 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.7 0.0 M+H C17H30O3 -1.228754775 DG(8:0/10:0/0:0) 390.3208079 9.661566667 HMDB0092901 Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1 Unclassified 37.7 0.0 M+NH4 C21H40O5 -1.590281238 (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide 319.189933 9.750433333 HMDB0031373 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.7 0.0 M+H C19H26O4 -1.422981278 TetraHCA 484.3629495 9.9442 HMDB0062534 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.7 0.0 M+NH4 C27H46O6 -0.67600221 Sulpho NONOate 142.9763251 0.00225 62945 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H H2N2O5S 4.271822091 Ethyl 3-cyclohexylpropionate 167.1429727 0.00225 HMDB0031406 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M+H-H2O C11H20O2 -0.374452731 10-undecenal 169.1585996 0.00225 75345 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.6 0.0 M+H C11H20O -0.547698291 ORTHOTHYMOTINIC ACID 195.1015535 0.00225 43837 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C11H14O3 -0.088827685 Geranyl 2-ethylbutyrate 253.2159141 0.00225 HMDB0038255 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.6 0.0 M+H C16H28O2 -1.15981574 (-)-Borneol 172.1694218 0.053916667 LMPR0102120004 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C01411 37.6 0.0 M+NH4 C10H18O -1.096104151 Ethyl (E)-2-nonenoate 167.1429706 0.33845 HMDB0031272 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M+H-H2O C11H20O2 -0.385722087 (+/-)-3-(Ethylthio)butanol 152.1102755 0.566283333 HMDB0032277 Organosulfur compounds Thioethers Dialkylthioethers Unclassified Unclassified 37.6 0.0 M+NH4 C6H14OS -0.64187193 L-Homocysteic acid 201.0537785 0.67715 6545 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C16511 37.6 0.0 M+NH4 C4H9NO5S -1.040350808 Acanthicifoline 210.1235982 0.67715 68000 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C10H12N2O2 -0.546629321 8-METHYLCAFFEINE 209.1031223 0.690983333 84980 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C9H12N4O2 -0.863878368 gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine 319.1244957 0.690983333 95006 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.6 0.0 M+NH4 C11H15N3O7 -1.094951996 DETA NONOate 202.0703698 0.718683333 44818 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+K C4H13N5O2 1.759662114 Acetylcarnosine 269.1239725 0.73255 HMDB0012881 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 37.6 0.0 M+H C11H16N4O4 -1.711650272 3-Indolehydracrylic acid 223.1075568 0.7879 HMDB0059765 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 37.6 0.0 M+NH4 C11H11NO3 -0.789618474 Phoxim 299.0615733 0.9714 72530 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C12H15N2O3PS 0.660503957 9,10-dihydroxy-2-decenoic acid 220.1542405 1.0006 LMFA01050428 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.6 0.0 M+NH4 C10H18O4 -0.465634684 Lysyl-Valine 246.1810376 1.01445 HMDB0028964 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.6 0.0 M+H-H2O, M+H C11H23N3O3 -0.200530801 (2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid 262.0378334 1.070083333 HMDB0125166 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids Unclassified Unclassified 37.6 0.0 M+NH4 C9H8O6S -0.619299886 3-(2,3,4-trihydroxy-5-methoxyphenyl)propanoic acid 246.0970602 1.272816667 HMDB0125592 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C10H12O6 -0.672957328 N-Acetyltranylcypromine 193.1335071 1.303766667 2896 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C11H13NO -0.185268992 R-4-benzyl-3-isobutyryloxazolidin-2-one 265.1538854 1.318883333 65458 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C14H17NO3 -3.17053076 Proflavine 248.0585669 1.334433333 HMDB0015255 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified C11181 37.6 0.0 M+K C13H11N3 0.532790827 1-(3-Carboxypropyl)-3,7-dimethylxanthine 289.0902386 1.40935 1770 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C11H14N4O4 -1.830401364 Immepip 188.1155745 1.5667 71954 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C9H15N3 -1.475969489 8-Anilino-1-naphthalene sulfonate 282.0576191 1.666633333 HMDB0061854 Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives Unclassified C11326 37.6 0.0 M+H-H2O C16H13NO3S -2.363942664 Morindaparvin A 253.0494307 1.716933333 68287 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C15H8O4 -0.414610608 Prenalterol 243.1701856 1.750416667 66670 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C12H19NO3 -0.592386461 Undecanoic acid 169.1586585 1.8003 HMDB0000947 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C17715 37.6 0.0 M+H-H2O C11H22O2 -0.178548914 Tropicamide 267.1498775 1.867833333 HMDB0014947 Benzenoids Benzene and substituted derivatives Phenylacetamides Unclassified Unclassified 37.6 3.63 M+H-H2O C17H20N2O2 2.420794038 (E,E)-11,13-Octadecadien-9-ynoic acid 277.215929 10.27175 HMDB0034382 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+H C18H28O2 -1.004787085 (S,E)-Zearalenone 319.153533 10.28776667 HMDB0031752 Phenylpropanoids and polyketides Macrolides and analogues Zearalenones Unclassified C09981 37.6 0.0 M+H, M+NH4 C18H22O5 -1.468697834 MG(18:3(6Z,9Z,12Z)/0:0/0:0) 335.2575011 10.36001667 HMDB0011569 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.6 0.0 M+H-H2O C21H36O4 -1.618975381 Kikkanol D 255.1951762 10.45468333 71811 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C15H26O3 -1.160259524 Pentadecanoylcarnitine 386.3259701 10.64501667 HMDB0062517 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M+H C22H43NO4 -1.337020072 N-margaroyl taurine 395.2939094 10.70865 LMFA08020247 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.6 0.0 M+NH4 C19H39NO4S 0.275929608 trans-5, trans-8, trans-11-hexadecatrienoic acid; C16:3n-5,8,11 251.2002455 10.72515 73845 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C16H26O2 -1.243156549 9-Oxohexadecanoic acid 288.2530275 10.72515 HMDB0030973 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+NH4 C16H30O3 -1.083758332 trans-Hexadec-2-enoyl carnitine 398.3259692 10.75773333 HMDB0006317 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M+H C23H43NO4 -1.29883655 4-O-alpha-Cadinylangolensin 515.2566551 10.80675 53226 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.6 0.0 M+K C31H40O4 1.757808644 PG(12:0/0:0) 446.2533452 10.90575 79999 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 37.6 0.0 M+NH4 C18H37O9P 4.671249344 Dioctyl hexanedioate 388.3416681 10.92098333 95990 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.6 0.0 M+NH4 C22H42O4 -1.26175047 4-Aminobiphenyl 170.0962477 10.93656667 HMDB0013195 Benzenoids Benzene and substituted derivatives Biphenyls and derivatives 2 C10998 37.6 0.0 M+H C12H11N -1.053389734 13,16,19-docosatrienoic acid 352.3206627 10.93656667 LMFA01030407 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+NH4 C22H38O2 -1.026862936 PC(6:0/6:0)[U] 454.2583871 10.93656667 39965 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C20H40NO8P 4.317288573 11-Eicosenoic acid 328.3204587 10.95276667 HMDB0034296 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+NH4 C20H38O2 -1.763875066 4-Methylthiobutanaldoxime 116.0530033 10.96895 64485 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C5H11NOS 1.176904952 1alpha-O-Methylquassin 422.2530735 11.03361667 94117 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.6 0.0 M+NH4 C23H32O6 -1.585110423 Norecasantalal 147.1167262 11.10941667 91830 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+H-H2O C11H16O -0.613751825 (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol 209.153397 11.10941667 HMDB0034672 Organoheterocyclic compounds Benzopyrans Unclassified Unclassified Unclassified 37.6 0.0 M+H C13H20O2 -1.005828393 Dihomodeoxycholic acid 438.3575294 11.10941667 LMST04020031 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 37.6 0.0 M+NH4 C26H44O4 -0.609011989 1-(13Z,16Z-docosadienoyl)-glycero-3-phosphate 529.2708841 11.10941667 HMDB0062306 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.6 0.0 M+K C25H47O7P 3.641617856 Tetradecanoylcarnitine 372.3105281 11.1235 HMDB0005066 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 3 Unclassified 37.6 0.0 M+H C21H41NO4 -0.827107194 Linalyl caprylate 263.2366342 11.16815 HMDB0030430 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+H-H2O C18H32O2 -1.098348781 1-Docosene 326.3776642 11.29863333 97721 Hydrocarbons Unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Unclassified Unclassified 37.6 0.0 M+NH4 C22H44 -1.500592401 9-cis-Retinoic acid 301.2158256 11.3302 41515 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C15493 37.6 0.0 M+H C20H28O2 -1.269071565 (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid 313.2368103 11.39205 HMDB0062434 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C14827 37.6 0.0 M+H C18H32O4 -1.683414696 13S-HODE 314.2684964 11.40651667 LMFA02000228 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C14762 37.6 0.0 M+NH4 C18H32O3 -1.600161734 Menthyl isovalerate 241.2159093 11.50315 92178 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+H C15H28O2 -1.23768899 MG(0:0/16:1(9Z)/0:0) 329.268231 11.51946667 62318 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.6 0.0 M+H, M+Na, M+NH4, M+H-H2O C19H36O4 -1.233847556 (+/-)-17-HDoHE 327.2314158 11.568 LMFA04000032 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+H-H2O C22H32O3 -1.280694394 MG(18:2(9Z,12Z)/0:0/0:0) 372.3103774 11.95813333 HMDB0011568 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 3 Unclassified 37.6 0.0 M+NH4 C21H38O4 -1.292275423 3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol 254.2475213 12.4943 87971 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+NH4 C16H28O -1.353558298 Camptothecin 371.1008343 14.31098333 3491 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C20H16N2O4 1.742717319 Hexacosanoyl carnitine 540.4981894 15.55763333 HMDB0006347 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M+H C33H65NO4 -0.827892011 Dextrorphan sulfate 338.1420917 15.82066667 1977 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C17H23NO4S 0.107029001 Gluten exorphin C 685.4342739 15.97903333 HMDB0059796 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.6 0.0 M+NH4 C29H57N5O12 0.11392704 S-[(E)-Prop-1-enyl]-L-cysteine S-oxide 178.0530117 2.1097 66892 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 C08295 37.6 0.0 M+H C6H11NO3S -1.292904501 Trimethoprim 291.1447332 2.4209 HMDB0014583 Benzenoids Phenol ethers Anisoles Unclassified C01965 37.6 0.0 M+H C14H18N4O3 -1.49476855 2,4-bis(3-methylbut-2-en-1-yl)benzene-1,3,5-triol 301.1213514 2.487916667 HMDB0133034 Benzenoids Phenols Benzenetriols and derivatives Unclassified Unclassified 37.6 0.0 M+K C16H22O3 4.9540158 N-Succinyl-L-diaminopimelic acid 273.1079021 2.9319 388 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C11H18N2O7 -0.725880081 2,3-Dihydrobenzofuran 103.0545808 2.999233333 HMDB0013815 Organoheterocyclic compounds Coumarans Unclassified 3 Unclassified 37.6 0.0 M+H-H2O C8H8O 2.950206709 N(alpha)-t-Butoxycarbonyl-L-leucine 232.15419 3.101233333 66157 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C11H21NO4 -0.625691934 Methylone 208.0967245 3.203216667 73543 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C11H13NO3 -0.459636796 Linalyl hexanoate 253.2159923 3.797416667 HMDB0030429 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+H C16H28O2 -0.849505839 Benorilate 345.1441813 3.9669 1261 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C18H17NO5 -0.968665665 Pogostol 205.1946724 4.064383333 89106 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.6 0.0 M+H-H2O C15H26O -1.821863934 Indolepyruvate 221.091877 4.064383333 HMDB0060484 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives 3 C00331 37.6 0.0 M+NH4 C11H9NO3 -0.944064061 DMABA-d4 NHS ester 249.1173857 4.080516667 96491 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C13H10D4N2O4 0.789163662 3-(3-amino-4,5-dihydroxyphenyl)-2-cyano-N,N-diethylprop-2-enamide 293.1603686 4.262333333 HMDB0142223 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.6 0.0 M+NH4 C14H17N3O3 -1.629611691 Thiabendazole 202.0441512 4.294566667 HMDB0014868 Organoheterocyclic compounds Benzimidazoles Unclassified Unclassified C07131 37.6 0.0 M+H C10H7N3S 4.011620286 CBHA 240.097949 4.376416667 44839 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C10H10N2O4 0.299980515 Dimethamine 447.2156385 4.4433 68562 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+K C24H32N4O2 -0.112397153 3-Dimethylallyl-4-hydroxymandelic acid 254.1387898 4.587983333 64596 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Unclassified C11527 37.6 0.0 M+NH4 C13H16O4 0.445912921 4-(3-hydroxybutyl)-2-methoxyphenol 214.143822 4.604216667 HMDB0135672 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.6 0.0 M+NH4 C11H16O3 0.265568836 Benazepril 442.2333533 4.619866667 HMDB0014682 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C06843 37.6 5.72 M+NH4 C24H28N2O5 -0.693600495 2-Methylcumarone 115.0545129 4.635566667 HMDB0059847 Organoheterocyclic compounds Benzofurans Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C9H8O 2.167641693 Indicine 317.2068785 4.650983333 68248 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C15H25NO5 -0.735164933 Hydroxyphenylacetylglycine 227.1025301 4.74755 5703 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05596 37.6 0.0 M+NH4 C10H11NO4 -0.493998999 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate 363.2122445 4.779683333 70604 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C22H30F2O3 -2.021163953 4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate 206.0449633 4.871 63542 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C10H9NO5 0.803239649 N-Acetyl-leu-leu-tyr 472.2412755 4.871 68995 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C23H35N3O6 -1.182104873 PS(12:0/0:0) 424.2098765 4.885333333 LMGP03050008 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.6 0.0 M+H-H2O C18H36NO9P 0.898368958 Peganine 171.0916969 4.9001 68535 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C11H12N2O 0.11779939 Coagulin R 3-glucoside 650.3549771 4.966716667 89077 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 37.6 0.0 M+NH4 C34H48O11 2.355091157 3-Carbamoyl-2-phenylpropionic acid 227.1026832 4.983366667 HMDB0060367 Benzenoids Benzene and substituted derivatives Unclassified 2 C16591 37.6 0.0 M+NH4 C10H11NO4 0.23850304 N3'-Acetylapramycin 604.2819962 4.983366667 65851 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C23H43N5O12 3.360989916 Viloxazine 255.1701721 4.999783333 85031 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C13H19NO3 -0.619373184 Methyl geranate 165.1275 5.079183333 265098 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+H-H2O C11H18O2 0.595402173 Bufotenine O-glucoside 384.2115146 5.111566667 HMDB0029564 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.6 0.0 M+NH4 C18H26N2O6 -3.816373675 3-Methyl-1,2-cyclopentanedione 242.138729 5.1277 87752 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.6 0.0 M+NH4 C12H16O4 0.198299293 Avenanthramide-C methyl ester 347.12406 5.1277 45329 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C17H15NO6 0.903301973 Myosmine 185.0472923 5.161166667 68164 Organoheterocyclic compounds Pyridines and derivatives Unclassified Unclassified C10160 37.6 0.0 M+K C9H10N2 -1.808068223 N-depyridomethyl-Indinavir 545.308264 5.161166667 822 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C30H42N4O4 -2.991511222 Latanoprost Lactone Diol 343.131945 5.1774 63039 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+K C18H24O4 4.364822864 DESACETYL (7)KHIVORINIC ACID, METHYL ESTER 519.2602676 5.239483333 43792 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C28H40O10 2.626306307 10,11-Dihydro-12R-hydroxy-leukotriene E4 458.2558638 5.2563 LMFA03020042 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.6 2.21 M+H C23H39NO6S -2.671533923 Fluperlapine 332.1527741 5.272583333 68729 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C19H20FN3 -1.85172929 Apiin 587.1368956 5.272583333 HMDB0030843 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides 3 C04858 37.6 0.0 M+Na C26H28O14 -0.408838582 Deoxyvasicinone 169.0760126 5.41175 68472 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C11H10N2O -0.064775455 Nemorensine 355.2224006 5.44365 68269 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C18H27NO5 -1.031858923 Prostaglandin D2 methyl ester 367.2477366 5.4597 45020 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C21H34O5 -0.447775497 N-METHYL (-)EPHEDRINE 180.1382429 5.521966667 44229 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C11H17NO -0.266189826 Chrysoeriol 4',7-diglucuronide 653.1344086 5.521966667 94474 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.6 0.0 M+H C28H28O18 -0.662323908 Pelargonidin 3-(6''-malonylglucoside) 519.1131513 5.586183333 46797 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C24H22O13 -0.320151448 3-Oxohexadecanoic acid glycerides 344.2540436 5.635316667 94396 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C19H37O6- -4.656120763 N-Nitroso-N-morpholinoaminoacetonitrile 193.0688873 5.650983333 1338 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C6H10N4O2 -4.168592149 2-Naphthylacetic acid 204.1018376 5.650983333 1388 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C12H10O2 -0.362763875 MG(16:1(9Z)/0:0/0:0) 367.2252723 5.682066667 HMDB0011565 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.6 0.0 M+K C19H36O4 2.298710222 6-Ketoestriol 320.1856871 5.7291 LMST02010053 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 Unclassified 37.6 0.0 M+NH4 C18H22O4 0.173458466 Resolvin E1 368.2431113 5.745083333 LMFA03140003 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.6 0.0 M+NH4 C20H30O5 -0.109411132 11-oxo-undeca-5,9-dienoic acid 214.1436627 5.793616667 LMFA01060221 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.6 0.0 M+NH4 C11H16O3 -0.546664681 3,4-Dimethyl-5-pentyl-2-furannonanoic acid 323.2578489 5.894166667 HMDB0061645 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+H C20H34O3 -0.690325225 Cinncassiol E 421.1838308 5.894166667 HMDB0036857 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.6 0.0 M+Na C20H30O8 1.361743663 Blumealactone A 365.1955715 5.910883333 HMDB0036665 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+H C20H28O6 -0.80591174 Biochanin A 285.0754446 6.011633333 HMDB0002338 Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids 3 C00814 37.6 0.0 M+H C16H12O5 -1.074702722 Farnesyl Thiosalicylic Acid 376.2318135 6.0283 45270 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C22H30O2S 3.731890133 Racemethionine 150.0580692 6.044966667 HMDB0033951 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C01733 37.6 0.0 M+H C5H11NO2S -1.723314209 3,4-DAA 361.1396723 6.061516667 64653 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C18H17NO6 0.756366028 3,4',5-Trismethoxybenzophenone 290.1384815 6.154283333 44854 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C16H16O4 -0.746149639 Istanbulin B 249.1482911 6.18665 HMDB0036005 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.6 0.0 M+H C15H20O3 -0.926322617 1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid 291.1336607 6.202516667 70582 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C15H15NO4 -0.998850029 endo-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-N-oxide 351.1783388 6.202516667 3142 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C18H24N4O2 -2.461723972 formyl 2E,4Z,6Z-decatrienoate 163.1116397 6.3162 97204 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C11H16O2 -0.565129237 Lactapiperanol D 342.227104 6.383283333 HMDB0033631 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.6 0.0 M+NH4 C18H28O5 -1.220084488 16alpha-hydroxydehydroepiandrosterone 3-sulfate 402.1940088 6.48265 HMDB0062611 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 37.6 0.0 M+NH4 C19H28O6S -1.239957595 Zolpidem Metabolite X-1 362.1263749 6.49935 3074 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+K C19H21N3O2 -0.495520106 Tris(2-methyl-1-aziridinyl)phosphine oxide 233.1533467 6.515966667 73227 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C9H18N3OP 3.590026821 Crinamidine 335.1595753 6.549566667 69338 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C17H19NO5 -1.806756133 Platydesmine 242.1173163 6.566216667 71296 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C15H17NO3 -0.921832791 Dihydrowyerol 280.1550338 6.61485 94066 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+NH4 C15H18O4 2.667415996 Kudzusaponin SA1 813.4617525 6.6307 HMDB0041240 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.6 0.0 M+H C42H68O15 -1.655999438 Bornyl formate 221.0938827 6.695866667 HMDB0038245 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+K C11H18O2 0.245745427 Melilotoside D 1069.536052 6.818416667 HMDB0041467 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.6 0.0 M+K C52H86O20 1.599929877 21-Deoxycortisol 347.2215265 6.86305 LMST02030195 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 2 C05497 37.6 0.0 M+H C21H30O4 -0.460358455 Resolvin D2 377.2320606 6.878166667 36431 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+H C22H32O5 -0.505030914 PGP(i-12:0/18:2(9Z,11Z)) 771.4216677 6.878166667 HMDB0116530 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates 1 Unclassified 37.6 0.0 M+H C36H68O13P2 1.136814377 11,12-DiHETrE 339.252838 6.971566667 HMDB0002314 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14774 37.6 0.0 M+H, M+K C20H34O4 -0.437537773 Furfuryl octanoate 242.1747837 7.153633333 LMFA07010891 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M+NH4 C13H20O3 -1.277278161 Piperolein B 382.1789602 7.170083333 86902 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 37.6 0.0 M+K C21H29NO3 3.083534067 6-[(1,3-diphenylbut-3-en-1-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 401.1591336 7.170083333 HMDB0135567 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.6 0.0 M+H C22H24O7 -0.864631067 26-Hydroxyecdysone 463.3047301 7.186683333 64598 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C27H44O7 -1.426962522 (2E,5E)-Undecadienal 184.1695054 7.269383333 75346 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C11H18O -0.513522387 N-palmitoyl threonine 375.3212669 7.269383333 75489 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.6 0.0 M+NH4 C20H39NO4 -1.307979959 3-Hydroxytrichothecene 251.1639192 7.352033333 91007 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.6 0.0 M+H C15H22O3 -1.006359699 Idebenone Metabolite (QS-6) 279.122454 7.368583333 760 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C15H20O6 -0.83125691 11,12,13-trihydroxy-9-octadecenoic acid 348.2739245 7.3852 35505 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C18H34O5 -1.590510476 2-METHYLENE-5-(2,5-DIOXOTETRAHYDROFURAN-3-YL)-6-OXO--10,10-DIMETHYLBICYCLO[7: 2: 0]UNDECANE 322.2009206 7.402283333 44604 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C18H24O4 -1.197212566 2-amino-tetradecanoic acid 261.2534055 7.485833333 LMFA01100007 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.6 0.0 M+NH4 C14H29NO2 -1.024718845 PGF2alpha dimethyl amide 399.3215316 7.552183333 LMFA03010074 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 37.6 0.0 M+NH4 C22H39NO4 -0.531469351 Digitoxigenin monodigitoxoside 505.3266819 7.695566667 2043 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na, M+K, M+H C29H44O7 -3.878682215 Gingerol 312.2167897 7.724266667 58313 Benzenoids Phenols Methoxyphenols Unclassified C10462 37.6 0.0 M+NH4 C17H26O4 -0.49333128 3-(L-Menthoxy)-2-methylpropane-1,2-diol 262.2374062 7.82765 HMDB0032417 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+NH4 C14H28O3 -1.081284875 N-Arachidonoyl-L-Alanine 393.3107179 7.974333333 64920 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C23H37NO3 -1.203523075 Methallenestrilphenol 273.1482109 7.9907 70286 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 5.53 M+H C17H20O3 -1.139102749 6-methyl-dodecanedioic acid 227.1639211 8.0225 74905 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.6 0.0 M+H-H2O, M+H C13H24O4 -1.023495679 p-Menth-3-en-9-al 170.1537813 8.103666667 87260 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+NH4 C10H16O -1.047541083 (-)-Menthone 172.1693938 8.184433333 HMDB0035162 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C00843 37.6 0.0 M+NH4 C10H18O -1.277723515 (2E,5Z)-undeca-2,5-dienal 184.1695003 8.249916667 89356 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C11H18O -0.544376832 Ajugasterone C 463.3046419 8.249916667 67213 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H-H2O C27H44O7 -1.610668286 6,7-Dimethoxy-7-epirosmanol 373.2000084 8.282466667 87227 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.6 0.0 M+H-H2O C22H30O6 -2.414205985 12-oxo-LTB4 317.2106789 8.331033333 LMFA03020024 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05949 37.6 0.0 M+H-H2O C20H30O4 -1.323509728 4-Methyl-1-phenyl-2-pentanone 177.12722780000001 8.47655 87774 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.6 0.0 M+H C12H16O -0.930009193 9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione 414.2303605 8.491383333 70225 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C21H29FO6 4.336475732 Granisetron 351.1586543 8.578083333 HMDB0015026 Organoheterocyclic compounds Benzopyrazoles Indazoles Unclassified C07023 37.6 0.0 M+K C18H24N4O 1.552815652 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester 265.1794886 8.6891 HMDB0061935 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.6 0.0 M+H C16H24O3 -1.258506894 (13R,14R)-7-Labdene-13,14,15-triol 325.2733341 8.704616667 HMDB0034958 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.6 0.0 M+H C20H36O3 -1.194647483 (9E)-Valenciaxanthin 413.304759 8.733933333 91857 Lipids and lipid-like molecules Prenol lipids Sesterterpenoids 1 Unclassified 37.6 0.0 M+H C27H40O3 -0.636957996 Verapamil 493.2467584 8.733933333 HMDB0001850 Benzenoids Benzene and substituted derivatives Phenylbutylamines Unclassified C07188 37.6 0.0 M+K C27H38N2O4 0.974417107 FIPI 422.1989458 8.763666667 45560 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C23H24FN5O2 0.631848624 Desacetyllaurenobiolide 231.1376702 8.8123 HMDB0036770 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.6 0.0 M+H-H2O C15H20O3 -1.15269526 2-Oxo-5,11(13)-eudesmadien-12,8-olide 264.159155 8.8289 87279 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.6 0.0 M+NH4 C15H18O3 -1.076543371 TRIDESACETOXYKHIVORIN 478.2808 8.975683333 43773 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+NH4 C26H36O7 1.892341467 Glechomafuran 249.1482247 8.989883333 91792 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.6 0.0 M+H C15H20O3 -1.193827779 3,4-Dihydro-6,7-dihydroxy-1(2H)-naphthalenone 179.0700946 9.04885 265034 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C10H10O3 -0.988680726 Ethyl 2E,4Z-hexadecadienoate 298.2736534 9.04885 87375 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M+NH4 C18H32O2 -1.436047432 all-trans-3,4-Didehydroretinoate 299.2001983 9.081183333 HMDB0060092 Lipids and lipid-like molecules Prenol lipids Retinoids 1 Unclassified 37.6 0.0 M+H C20H26O2 -1.20134997 Isohumulinone A 379.2109837 9.097216667 86685 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.6 0.0 M+H C21H30O6 -1.405132708 Epilubimin 237.1845712 9.2073 90389 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.6 0.0 M+H C15H24O2 -1.419258567 7alpha-Hydroxy-3-oxo-4-cholestenoate 431.3151211 9.239166667 HMDB0012458 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 2 C17337 37.6 0.0 M+H C27H42O4 -1.08105078 Resolvin D5 343.2263182 9.25525 LMFA04030003 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 M+H-H2O C22H32O4 -1.257556549 3-Methylbutyl dodecanoate 288.2893189 9.41635 92294 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M+NH4 C17H34O2 -1.431810301 Sphingosine 1-phosphate (d19:1-P) 418.2681974 9.43295 HMDB0060062 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids 1 Unclassified 37.6 0.0 M+Na C19H42NO5P -2.74068692 PS(22:2(13Z,16Z)/0:0) 595.3730678 9.449533333 78851 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.6 0.0 M+NH4 C28H52NO9P 2.205646618 Acutoside A 781.4721524 9.614566667 87352 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.6 0.0 M+H C42H68O13 -1.430211384 Protobassic acid 522.3785869 9.807416667 89975 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.6 0.0 M+NH4 C30H48O6 -0.650175548 8-iso-16-cyclohexyl-tetranor Prostaglandin E2 401.2294456 9.821666667 45175 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+Na C22H34O5 -1.055661736 4Z,7Z,10Z,13Z-hexadecatetraenoic acid 249.184621 9.880183333 34945 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+H C16H24O2 -1.150044501 AVOCADENE 304.2841765 9.911833333 43516 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.6 0.0 M+NH4 C17H34O3 -1.550931351 Muricatacin 302.2686581 9.928083333 93340 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.6 0.0 M+NH4 C17H32O3 -1.098667467 12-Ketoporrigenin 464.3364714 9.9442 HMDB0031079 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.6 0.0 M+NH4 C27H42O5 -1.296390995 Di-2-propenyl disulfide, 9CI 184.9854937 0.00225 HMDB0033966 Organosulfur compounds Allyl sulfur compounds Unclassified Unclassified C08369 37.5 0.0 M+K C6H10S2 -0.388197502 Alanyl-Arginine 246.1559037 0.6217 85597 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.5 0.0 M+H C9H19N5O3 -0.661784199 Wyeronic acid 248.0875076 0.67715 HMDB0039141 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.5 0.0 M+H, M+NH4 C13H10O4 -2.930948789 Falimint 256.1289431 0.67715 95428 Benzenoids Benzene and substituted derivatives Nitrobenzenes Unclassified Unclassified 37.5 0.0 M+NH4 C11H14N2O4 -1.005207899 Nicotinamide riboside 255.0972752 0.690983333 5818 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03150 37.5 0.0 M+H C11H14N2O5 -1.073760509 Imazethapyr 328.1056088 0.690983333 72627 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+K C15H19N3O3 -0.659704159 1-O-Galloylglycerol 262.0919703 0.718683333 93771 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.5 0.0 M+NH4 C10H12O7 -0.647236282 N-Acetyllactosamine 384.1498582 0.718683333 HMDB0001542 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C00611 37.5 0.0 M+H C14H25NO11 -0.466909416 2-Aminobenzenesulfonate 174.0219032 0.73255 66372 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C6H7NO3S -0.21556972 2-(3-pyridyl)-Benzimidazole 234.0429528 0.774083333 45439 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+K C12H9N3 0.755781956 4-Hydroxybenzenesulfonic acid 192.0324436 0.7879 34512 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C6H6O4S -0.35426553 Pirimicarb 239.1499158 0.7879 68822 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C11H18N4O2 -1.412713907 Isosorbide-2-glucuronide 323.0971808 0.7879 864 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C12H18O10 -0.286827936 4-heptanoyl butyric acid 201.1484001 0.9714 35730 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.5 0.0 M+H C11H20O3 -0.60385846 Dibenzo[a,h]pyrene 320.1448462 1.0006 72945 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C24H14 4.866363141 Tfa-VAL-TYR-VAL-OH 458.1880159 1.0006 44312 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O, M+H C21H28F3N3O6 -3.611363096 2-Methoxymethcathinone 211.1440154 1.112483333 96737 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C11H15NO2 -0.460113919 N-Succinyl-L-glutamate 248.0761971 1.140533333 63479 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C9H13NO7 -1.137506792 Dinex 284.1239227 1.184816667 72789 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H, M+NH4 C12H14N2O5 -0.773092852 2-Propionyl-2-thiazoline 161.0742138 1.21445 88493 Organoheterocyclic compounds Azolines Thiazolines Unclassified Unclassified 37.5 0.0 M+NH4 C6H9NOS -0.675328708 Saccharocin 523.26216 1.453516667 71994 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O C21H40N4O12 2.175897724 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid 241.0817199 1.4849 HMDB0004083 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C05645 37.5 0.0 M+NH4 C10H9NO5 -0.798146592 Metalaxyl-M 297.1806948 1.4849 72420 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C15H21NO4 -0.676521225 (1H-Indol-4-yl)-Carbamic Acid tert-butyl ester 254.102152 1.500583333 44983 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C13H15N2O2 -1.823576915 N-Acetylprocainamide 295.2127307 1.54975 2102 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.5 0.0 M+NH4 C15H23N3O2 -0.439455387 (4-Hydroxybenzoyl)choline 247.1185961 1.5832 86342 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.5 0.0 M+Na C12H18NO3+ 3.154440831 PA(12:0/0:0) 393.1434111 1.5832 82334 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.5 0.0 M+K C15H31O7P -1.374737103 AM2201 7-hydroxyindole metabolite 376.1712789 1.683466667 96611 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C24H22FNO2 1.45347026 2-hydroxymexiletine 213.1596751 1.700233333 HMDB0060953 Benzenoids Phenol ethers Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C11H17NO2 -0.406124769 (2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid 251.1387647 1.733633333 HMDB0139529 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified C03002 37.5 0.0 M+H C13H18N2O3 -1.016046928 N'-Hydroxyneosaxitoxin 354.1148916 1.867833333 HMDB0033665 Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Unclassified Unclassified Unclassified 37.5 0.0 M+Na C10H17N7O6 4.951817902 Nalidixic acid glucuronide 426.1502325 1.884433333 1409 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C18H20N2O9 -1.159550616 2-Phenylpropionaldehyde dimethyl acetal 181.1220905 10.006 HMDB0032468 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.5 0.0 M+H C11H16O2 -1.197251923 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one 189.1636023 10.006 90555 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.5 0.0 M+H-H2O C14H22O -0.847538086 9S-HpODE 335.2192022 10.33101667 LMFA02000012 Lipids and lipid-like molecules Fatty Acyls Octadecanoids 2 C14827 37.5 0.0 M+Na C18H32O4 -0.249727128 11-Oxooctadecanoic acid 316.2841099 10.34555 HMDB0030981 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.5 0.0 M+NH4 C18H34O3 -1.711995296 Secbumeton 248.1481568 10.39106667 72848 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C10H19N5O -0.107079265 MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) 413.3045044 10.39106667 62343 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.5 0.0 M+H-H2O C27H42O4 -1.201849091 2,6-Diisopropylhydroquinone 177.1272611 10.4221 2156 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O C12H18O2 -0.672059285 N-oleoyl threonine 384.3102806 10.45468333 75490 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.5 0.0 M+H C22H41NO4 -1.446842951 Floionic acid 369.2246601 10.47075 LMFA01170030 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.5 0.0 M+Na C18H34O6 -0.28709327 PGF2alpha-dihydroxypropanylamine 410.2896578 10.64501667 LMFA03010193 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 37.5 0.0 M+H-H2O C23H41NO6 -1.034282677 Dolicholide 496.3627015 10.90575 89706 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 1 Unclassified 37.5 0.0 M+NH4 C28H46O6 -1.177419465 Lucidone B 418.2582438 10.93656667 91055 Lipids and lipid-like molecules Steroids and steroid derivatives Oxosteroids 1 Unclassified 37.5 0.0 M+NH4 C24H32O5 -1.388842274 avocadenyne acetate 325.2368518 11.00068333 LMFA05000714 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 37.5 0.0 M+H C19H32O4 -1.493296867 8-Ocimenyl acetate 177.1272665 11.18393333 HMDB0039685 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.5 0.0 M+H-H2O C12H18O2 -0.644051569 1,2-Dihydroxy-8-methylnaphthalene 192.1017636 11.21606667 69783 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C11H10O2 -0.812853451 Reduced Vitamin K 509.336936 11.36115 7027 Lipids and lipid-like molecules Prenol lipids Diterpenoids 2 C03313 37.5 0.0 M+K C31H50O3 -4.714306435 (Z,Z)-2,9,16-Heptadecatriene-4,6-diyn-8-ol 260.2006559 11.63391667 88613 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.5 0.0 M+NH4 C17H22O -0.970313257 Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside 708.4885909 11.83171667 LMSL05000005 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C36H66O12 -0.959073358 3E,4Z,7,11-Tetramethyl-6,10-tridecadienal 251.2366167 12.13366667 46459 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C17H30O -1.300041658 Isopropyl nonanoate 183.1742557 12.7812 89729 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+H-H2O C12H24O2 -0.429818222 1-O-(2R-hydroxy-pentadecyl)-sn-glycerol 336.3106406 12.90525 LMGL01020062 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 37.5 0.0 M+NH4, M+Na, M+H C18H38O4 -0.611406889 Obscuraminol A 278.2476458 13.28985 LMSP01080035 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 37.5 0.0 M+H C18H31NO -0.704384974 N-Desmethyl tapentadol 246.1244974 1.998066667 HMDB0060611 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 37.5 6.44 M+K C13H21NO -4.706235934 Melatonin 250.1528107 2.1097 HMDB0001389 Organoheterocyclic compounds Indoles and derivatives Indoles 3 C01598 37.5 0.0 M+NH4 C13H16N2O2 -9.446024155 Ethyl 9-hexadecenoate 283.2628891 2.142083333 HMDB0059871 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+H C18H34O2 -0.948368578 1-Menthyl methyl ether 171.1742227 2.487916667 88398 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.5 0.0 M+H C11H22O -0.699872965 3-Methyl-quinolin-2,8-diol 176.0705454 2.487916667 66380 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H, M+NH4 C10H9NO2 -0.340286415 Betaxolol(hydroxylation) 324.216632 2.487916667 1322 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C18H29NO4 -0.936886771 3-Hydroxymethylantipyrine 222.1236304 2.8818 85279 Organoheterocyclic compounds Azoles Pyrazoles Unclassified Unclassified 37.5 0.0 M+NH4 C11H12N2O2 -0.356354682 Cinncassiol D2 glucoside 553.260892 3.050183333 HMDB0034679 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.5 0.0 M+Na C26H42O11 -1.962796942 Methyl Arachidonyl Fluorophosphonate 409.2078133 3.422833333 63064 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+K C21H36FO2P 2.592689287 N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone 324.216701 3.541966667 45495 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C18H29NO4 -0.723505337 Prazosin 401.1915143 3.610116667 2062 Organoheterocyclic compounds Diazinanes Piperazines Unclassified C07368 37.5 0.0 M+NH4 C19H21N5O4 -4.346380474 (Z)-3-Methyl-3-decen-1-ol 171.1742266 3.627183333 HMDB0031064 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.5 0.0 M+H C11H22O -0.676579858 Rutagravine 362.099916 4.327383333 HMDB0033446 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 37.5 0.0 M+Na C19H17NO5 0.066842072 dechloro-Honaucin A 171.0652207 4.426716667 65492 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C8H10O4 0.208549704 BAY-60-7550 477.2507708 4.459283333 45308 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C27H32N4O4 2.391327343 Dinorcapsaicin 295.2016508 4.491716667 HMDB0036325 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.5 0.0 M+NH4 C16H23NO3 0.114360547 4,8-dihydroxy-2H-furo[2,3-h]chromen-2-one 236.0553139 4.540083333 HMDB0135848 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 37.5 0.0 M+NH4 C11H6O5 -0.160306515 1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate 459.1807526 4.604216667 HMDB0039249 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.5 0.0 M+H-H2O C28H28O7 1.128937378 Paeonilactone C 341.0990151 4.731233333 71702 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C17H18O6 -1.709795233 PD-160725 2-hydroxyethanesulfonate 319.1400546 4.779683333 103476 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C15H18N4O4 -0.084694109 Aurachin D 402.2208791 4.779683333 68456 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+K C25H33NO 4.146709172 4-Ketoalloxanthin 601.3665719 4.779683333 LMPR01070073 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 37.5 4.5 M+Na C40H50O3 2.343998577 3-Methylbutyl 2-furanbutanoate 225.1485035 4.8098 92559 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+H C13H20O3 -0.077846944 Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine 312.1793596 4.825566667 HMDB0032221 Organoheterocyclic compounds Azacyclic compounds Dithiazinanes Unclassified Unclassified 37.5 8.04 M+Na C15H31NS2 1.199723491 AM2201 6-hydroxyindole metabolite 358.1606791 4.871 96610 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O C24H22FNO2 1.359798092 LysoPE(18:3(9Z,12Z,15Z)/0:0) 476.2610681 4.885333333 HMDB0011509 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 37.5 2.63 M+H-H2O, M+H C23H42NO7P 1.773821128 Elenaic acid 243.0863117 4.9001 HMDB0039136 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Unclassified Unclassified 37.5 0.0 M+H C11H14O6 -0.011842417 1-hydroxyoct-5-enoylglycine 233.1494249 4.983366667 HMDB0094735 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.5 0.0 M+NH4 C10H17NO4 -0.737743986 5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene 192.1748128 4.999783333 91720 Hydrocarbons Unsaturated hydrocarbons Branched unsaturated hydrocarbons Unclassified Unclassified 37.5 0.0 M+NH4 C13H18 0.784730683 PURPUROGALLIN 238.0709204 5.047433333 43934 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C11H8O5 -0.356758421 8',10'-Dihydroxydihydroergotamine 586.3000122 5.144516667 2263 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C33H39N5O5 -4.072413799 1-(11Z-docosenoyl)-glycero-3-phosphate 531.2841405 5.161166667 HMDB0062304 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.5 0.0 M+K C25H49O7P -1.235203728 PC(0:0/10:0)[U] 429.2706735 5.272583333 40336 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C18H38NO7P -4.23414377 Annoglabasin C 445.1966916 5.3049 HMDB0036263 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.5 0.0 M+K C23H34O6 -4.936333021 Ancistrocladine 430.1970403 5.33425 67610 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C25H29NO4 -4.515615467 Linalool 3,6-oxide primeveroside 465.2343391 5.3798 90771 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.5 0.0 M+H C21H36O11 2.80183485 6-[3-(2-carboxyethyl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 390.1391737 5.41175 HMDB0128015 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.5 0.0 M+NH4, M+Na, M+H, M+H-H2O C16H20O10 -0.802698303 octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester 475.2395529 5.490783333 6699 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C21H35F7O2 -4.854994012 2-(1-Propenyl)-delta1-piperideine 162.0675566 5.50615 HMDB0033365 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified Unclassified 37.5 0.0 M+K C8H13N -3.25679686 Genipin 209.0808087 5.569416667 HMDB0035830 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C09780 37.5 0.0 M+H-H2O C11H14O5 -0.117511932 Trifenmorph 352.1655566 5.697833333 72885 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C23H23NO -4.947006967 N-HFG 192.0549552 5.76095 64631 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C7H8FN3O 3.51560261 Rhododendrin 311.1474637 5.810533333 68051 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O C16H24O7 -4.422194061 Anibine 186.054883 5.82695 68135 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O C11H9NO3 -0.353949954 Prostaglandin lactone-diol 286.2011636 5.82695 HMDB0240213 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 37.5 0.0 M+NH4 C15H24O4 -0.451816478 Platydesminium 297.1329156 5.82695 HMDB0030342 Organoheterocyclic compounds Quinolines and derivatives Dihydrofuranoquinolines Unclassified Unclassified 37.5 0.0 M+Na C16H20NO3+ -2.274841221 Dicyclohexylamine 182.1903392 5.84335 70260 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C12H23N 0.071942994 4-Hydroxy-3-polyprenylbenzoate 292.1904733 5.84335 HMDB0060388 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C18131 37.5 0.0 M+NH4 C17H22O3 -0.900253677 PARAROSANILINE 326.1054149 5.84335 43540 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+K C19H17N3 0.032248111 PC(O-6:0/O-6:0) 443.3227232 5.877366667 40250 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C20H44NO6P -4.060956143 HYMECROMONE METHYL ETHER 191.0701927 5.894166667 44487 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C11H10O3 -0.410037132 Nummularine F 451.2302839 5.9279 68090 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O, M+Na C23H32N4O4 -4.00093904 12-Oxo-20-hydroxy-leukotriene B4 368.24286 5.994866667 LMFA03020049 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.5 0.0 M+NH4 C20H30O5 -0.82704081 3-Benzyl-4-heptanone 205.1585556 6.154283333 HMDB0041482 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O, M+H C14H20O -0.643521733 S-Ribosyl-L-homocysteine 268.0853186 6.2338 63431 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C9H17NO6S 1.437426365 R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)-5,5-dimethyloxazolidin-2-one 393.2741173 6.2338 65464 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C22H33NO4 -1.776886153 N-omega-propyl-L-Arginine 269.1380716 6.266266667 44817 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+K C10H22N4O2 2.770074938 Oleic acid(d2) 323.2325762 6.29965 45812 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+K C18H32D2O2 3.462474801 3-Oxo-6b-angeloyloxy-7(11)-eremophilen-12,8a-olide 347.1851145 6.3162 HMDB0032896 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.5 0.0 M+H C20H26O5 -0.53698493 Arlatin 284.1856646 6.432616667 90994 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.5 0.0 M+NH4 C15H22O4 0.11225888 3-hydroxydodecanoyl carnitine 360.2738959 6.44925 HMDB0061638 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+H C19H37NO5 -1.541633291 2-Phenylpropyl butyrate 207.137829 6.515966667 89955 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+H C13H18O2 -0.617114398 Phlorizin 419.1332786 6.59905 HMDB0036634 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides 3 C01604 37.5 0.0 M+H-H2O C21H24O10 -0.871542832 Cnidilide 177.1272716 6.61485 71445 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O C12H18O2 -0.61812492 Withaperuvin D 538.3015541 6.7273 86732 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 37.5 0.0 M+NH4 C28H40O9 0.952865459 7-Desmethylpapaverine glucuronide 502.1704888 6.832883333 1705 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H, M+Na, M+NH4 C25H27NO10 -0.566042116 PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 574.3153276 6.878166667 LMGP04050016 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 37.5 0.0 M+NH4 C28H45O9P 2.485060266 Gibberellin A110 331.1901006 6.892733333 88115 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.5 0.0 M+H-H2O C20H28O5 -0.81880335 9R,10S,18-trihydroxy-stearic acid 350.2896362 6.9078 LMFA02000006 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 37.5 0.0 M+NH4 C18H36O5 -1.395288492 Bifemelane (M6) 272.1642001 6.987866667 1335 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C17H21NO2 -1.125826548 9,10,18-trihydroxy-12-octadecenoic acid 348.2739795 6.987866667 35685 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C18H34O5 -1.423872597 Batrachotoxinin A 435.2850963 6.987866667 73517 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C24H35NO5 -0.605114229 5-methyl-tetradecanedioic acid 290.2322889 7.004516667 LMFA01170020 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.5 0.0 M+NH4 C15H28O4 -1.08734353 Diglycidyl resorcinol ether 240.1228092 7.037866667 72951 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C12H14O4 -1.014350809 Congmuyenoside A 959.5195676 7.153633333 HMDB0031376 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.5 0.0 M+H C48H78O19 -1.501419614 N-(2,5-Dihydroxyphenyl)pyridinium(1+) 189.0783634 7.170083333 HMDB0040768 Benzenoids Phenols Benzenediols Unclassified Unclassified 37.5 0.0 M+H C11H10NO2+ -0.354088308 Deoxymiroestrol 360.1806105 7.170083333 72068 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C20H22O5 0.178819321 9-Hexadecenoylcholine 363.3099913 7.285966667 HMDB0013208 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Unclassified Unclassified 37.5 0.0 M+Na C21H42NO2+ -2.303489171 Neoporrigenin B 447.3099943 7.30255 88619 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.5 0.0 M+H C27H42O5 -1.135093562 Bifemelane 270.1848236 7.31915 1331 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C18H23NO -1.54995747 N1,N5,N10-Tricoumaroyl spermidine 606.2574606 7.485833333 64160 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C34H37N3O6 0.006893868 4(5)-EpDPE methyl ester 359.2576682 7.519116667 62962 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C23H34O3 -1.125403112 11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid 375.2160775 7.519116667 57878 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 37.5 0.0 M+H C22H30O5 -1.39747241 Quillaic acid 3-[xylosyl-(1->3)-[galactosyl-(1->2)]-glucuronide] 974.4939187 7.568666667 89246 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.5 0.0 M+NH4 C47H72O20 -1.674438316 Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 338.1956164 7.585266667 88635 Benzenoids Phenol esters Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C18H24O5 -1.820869512 Resolvin D1 377.2317886 7.695566667 HMDB0003733 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.5 0.0 M+H-H2O, M+H C22H32O5 -0.90546794 AX 048 401.3369961 7.781466667 64840 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C22H41NO4 -1.012866004 all-trans-5,6-Epoxyretinoic acid 299.2001521 7.811833333 LMPR01090055 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C16680 37.5 0.0 M+H-H2O C20H28O3 -1.279026012 4-Hexyloxyphenol 177.1272474 7.843266667 69955 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O C12H18O2 -0.742519191 11'-Carboxy-gamma-tocotrienol 401.2682965 7.8755 HMDB0012518 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.5 0.0 M+H C25H36O4 -0.84847247 Desacetoxyvindoline 399.2274038 7.90815 64346 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C23H30N2O4 -1.080064396 15-methyl-15(S)-PGE1 386.289644 7.924783333 36127 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C21H36O5 -1.237740404 (15:1)-Cardanol 320.2944355 7.941333333 68576 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C21H34O -1.176955897 (+/-)-[R-(E)]-5-Isopropyl-8-methylnona-6,8-dien-2-one 177.1636605 8.0225 88390 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.5 0.0 M+H-H2O C13H22O -0.600430129 Dimethindene 331.1569464 8.103666667 HMDB0015691 Benzenoids Indenes and isoindenes Unclassified Unclassified Unclassified 37.5 0.0 M+K C20H24N2 -0.549261428 Geijerone 179.1429012 8.184433333 92930 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.5 0.0 M+H C12H18O -0.788094814 N-oleoyl asparagine 397.3057722 8.184433333 LMFA08020137 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.5 0.0 M+H C22H40N2O4 -0.7874143 8,8a-Deoxyoleandolide 395.2413853 8.233266667 40994 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides 2 C11989 37.5 0.0 M+Na C20H36O6 2.621205963 9,13-dihydroxy-10-octadecenoic acid 332.2790429 8.266283333 35502 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C18H34O4 -1.566372514 Dihomolinoleic acid 291.2678829 8.34725 LMFA01031043 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.5 0.0 M+H-H2O, M+H C20H36O2 -1.165275245 7,21-Dihydroxy-6a-methylpregn-4-ene-3,20-dione 17-acetate 403.2471946 8.364 1088 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C24H34O5 -1.755158445 Diethylpropion (metabolite VII Glucuronide) 417.2242763 8.506066667 2026 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+NH4 C19H29NO8 2.840553625 17-phenyl-13E-heptadecenoic acid 345.278367 8.549466667 LMFA01140076 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.5 0.0 M+H-H2O, M+H C23H36O2 -1.567967062 12alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid 408.3103434 8.624666667 84482 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.5 0.0 M+NH4 C24H38O4 -1.260213692 Aldosterone 361.2009971 8.672883333 HMDB0000037 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 3 C01780 37.5 0.0 M+H C21H28O5 0.129618635 LysoPC(18:3(9Z,12Z,15Z)) 535.3483804 8.672883333 HMDB0010388 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 3 Unclassified 37.5 0.0 M+NH4 C26H48NO7P -4.416259873 3-Oxo-delta5-steroid 255.2103875 8.733933333 65554 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H-H2O C19H28O -1.248136124 3-Methyl-2-butene-1-thiol 141.0137372 8.8123 87738 Organosulfur compounds Thiols Alkylthiols Unclassified Unclassified 37.5 0.0 M+K C5H10S 2.525853274 10-Acetylpanaxytriol 321.205527 8.8123 HMDB0039821 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.5 0.0 M+H C19H28O4 -1.588989182 Cortisol 363.2161087 9.097216667 HMDB0000063 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 3 C00735 37.5 0.0 M+H C21H30O5 -1.357634195 Acutifolane A 280.1903193 9.14445 53496 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 37.5 0.0 M+NH4 C16H22O3 -1.528992004 Lyso-PAF C-16-d4 524.3400891 9.25525 96524 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+K C24H48D4NO6P -2.886428869 (+)-trans-C75 255.1587581 9.532 96547 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+H C14H22O4 -1.288796182 C22-PGF4alpha 401.2295983 9.614566667 46019 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+Na C22H34O5 -0.651857228 DG(8:0/0:0/8:0) 362.2894688 9.70755 HMDB0092900 Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1 Unclassified 37.5 0.0 M+NH4 C19H36O5 -1.832831114 Avocadyne 4-acetate 344.2792337 9.850133333 87373 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.5 0.0 M+NH4 C19H34O4 -0.923927915 5R-hydroxy-4R-decanolide 201.1483438 0.00225 97381 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 37.4 0.0 M+H C11H20O3 -0.884935917 3-(2,5-dimethoxyphenyl)propanoic acid 211.0963309 0.00225 24106 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C11H14O4 -0.735082402 1,6-Dimethylnaphthalene 174.127598 0.538583333 69884 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C12H12 -0.819214016 Mytilin A 350.1552351 0.718683333 93608 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 37.4 0.0 M+NH4 C13H20N2O8 -1.674136086 2-Amino-3-methylimidazo[4,5-f]quinoline 237.0537691 0.73255 HMDB0029706 Organoheterocyclic compounds Quinolines and derivatives Unclassified 2 C19180 37.4 0.0 M+K C11H10N4 0.32640046 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline 252.0645994 0.7464 HMDB0029864 Organoheterocyclic compounds Diazanaphthalenes Benzodiazines 2 C19255 37.4 0.0 M+K C11H11N5 -0.01909524 N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enimidic acid 252.1704042 0.7464 HMDB0139874 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.4 0.0 M+NH4 C13H18N2O2 -1.064246138 N-Acetyl-4-O-acetylneuraminic acid 352.1232678 0.7879 HMDB0000796 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C04015 37.4 0.0 M+H C13H21NO10 -1.579260717 Naphthalic anhydride 181.0283788 0.829533333 72867 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O C12H6O3 -0.136485186 2,3-Dihydrothiophene 104.05319 0.84375 HMDB0033875 Organoheterocyclic compounds Dihydrothiophenes Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C4H6S 3.99099287 Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside 341.145199 1.0006 66242 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O, M+H C13H24O10 3.548356557 N-(3-hydroxy-octanoyl)-homoserine lactone 261.1806792 1.01445 LMFA08030036 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.4 0.0 M+NH4 C12H21NO4 -0.84103466 zeleplon 344.0909419 1.01445 85038 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+K C17H15N5O 0.405512721 2-Fluoroethcathinone 218.0923802 1.084133333 96623 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O, M+Na C11H14FNO -1.183103806 ethotoin 222.1236177 1.084133333 4017 Organoheterocyclic compounds Azolidines Imidazolidines Unclassified C07839 37.4 0.0 M+NH4 C11H12N2O2 -0.418577698 Deoxyfructosazine 287.1235927 1.16885 HMDB0038696 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.4 0.0 M+H-H2O C12H20N2O7 -0.559168958 1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 277.0928779 1.184816667 98323 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 37.4 0.0 M+H-H2O C11H18O9 3.685858737 N-Methyl-14-O-demethylepiporphyroxine 394.1274231 1.378866667 86771 Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Unclassified Unclassified 37.4 0.0 M+Na C20H21NO6 3.543344823 4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid 227.0912796 1.42375 HMDB0041679 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives 1 Unclassified 37.4 0.0 M+H C11H14O5 -0.532503036 N-Hydroxynorcocaine 309.1441995 1.46935 1906 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C15H17NO5 -1.025850798 PISCIDIC ACID 274.0920288 1.533116667 43637 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C11H12O7 -0.388467766 psi-Pelletierine 176.1049757 1.632833333 HMDB0034580 Organoheterocyclic compounds Piperidines Piperidinones Unclassified C10865 37.4 0.0 M+Na C9H15NO 2.553306531 Tanakamine 237.1595731 1.649716667 89264 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 37.4 0.0 M+NH4 C13H17NO2 -0.827211718 2-Methoxy-1,4-benzoquinone 139.0389396 1.700233333 HMDB0032576 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.4 0.0 M+H C7H6O3 -0.223421653 (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate 258.0971216 1.700233333 63986 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C11H12O6 -0.383574204 Viguiestenin 415.1708536 1.767216667 67826 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+Na C21H28O7 -4.768961174 Sulfacetamide 215.0484709 1.867833333 2527 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified Unclassified 37.4 0.0 M+H C8H10N2O3S -0.087383951 4-Methyl-2-pentyl-5-propyloxazole 213.1959046 10.006 HMDB0037900 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 37.4 0.0 M+NH4 C12H21NO -1.205403387 Vitamin D3 sulfoconjugate 482.3297705 10.16061667 42578 Lipids and lipid-like molecules Sterol Lipids Secosteroids Unclassified Unclassified 37.4 0.0 M+NH4 C27H44O4S -0.184948972 endo-N-9-azabicyclo[3.3.1]non-3-yl-1-methyl-1H-Indazole-3-carboxamide 321.1689312 10.19313333 3140 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+Na C17H22N4O 1.171027401 Stearaldehyde 286.3100571 10.25611667 6658 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 C01838 37.4 0.0 M+NH4 C18H36O -1.432037609 Hericenone E 633.3561339 10.27175 93737 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.4 0.0 M+K C37H54O6 1.57537907 Fasciculol C 531.3652909 10.30253333 HMDB0035853 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.4 0.0 M+Na C30H52O6 -0.627852269 MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 387.2888892 10.40653333 HMDB0011555 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.4 0.0 M+H-H2O, M+H C25H40O4 -1.193045844 Docosanedioic acid 388.3415929 10.4221 35989 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C22H42O4 -1.464854969 PS(17:1(9Z)/0:0) 492.2700053 10.4221 78860 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.4 0.0 M+H-H2O C23H44NO9P -4.074620881 PC(5:0/5:0) 426.2270892 10.45468333 LMGP01011225 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 37.4 0.0 M+H C18H36NO8P 4.606985753 11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid 175.111313 10.56758333 94198 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.4 0.0 M+H-H2O C12H16O2 -2.230581592 18-oxo-nonadecanoic acid 330.2998119 10.62896667 74767 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.4 0.0 M+NH4 C19H36O3 -1.468686288 xi-3-(4-Isopropylphenyl)-2-methylpropanal 191.1428764 10.95276667 HMDB0037763 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.4 0.0 M+H C13H18O -0.868980974 [2-(Dimethoxymethyl)-1-heptenyl]benzene 249.1846509 10.96895 HMDB0036221 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.4 0.0 M+H C16H24O2 -1.029731225 2,5-Diisopropylphenol 161.132325 11.10941667 HMDB0032579 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.4 0.0 M+H-H2O C12H18O -0.8529598 2,3-Diisopropyl-5-methylphenol 175.1479933 11.10941667 86530 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.4 0.0 M+H-H2O C13H20O -0.695994885 Methylsalicyluric acid 192.0652893 11.13786667 5670 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O C10H11NO4 -1.101640731 N-Hexadecanoylpyrrolidine 327.3365814 11.16815 88667 Organoheterocyclic compounds Pyrrolidines N-acylpyrrolidines Unclassified Unclassified 37.4 0.0 M+NH4 C20H39NO -1.322325095 Anandamide (18:3, n-6) 339.3001758 11.21606667 LMFA08040003 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.4 0.0 M+NH4 C20H35NO2 -1.335770041 Retinoic acid 318.2421933 11.36115 2277 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C00777 37.4 0.0 M+NH4 C20H28O2 -1.87333709 Panaquinquecol 1 310.2372473 11.4543 LMFA05000686 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.4 0.0 M+NH4 C18H28O3 -1.447566714 Octyl 2-methylpropanoate 183.1742564 11.48685 HMDB0034137 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.4 0.0 M+H-H2O C12H24O2 -0.426466738 12-Hydroxy-12-octadecanoylcarnitine 444.3677144 11.568 LMFA07070028 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.4 0.0 M+H C25H49NO5 -1.433834335 Crucigasterin 277 278.2475547 11.58423333 53936 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 37.4 0.0 M+H C18H31NO -1.032851835 MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) 431.3151238 11.60075 HMDB0011590 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.4 0.0 M+H C27H42O4 -1.07473083 4-Oxoretinol 301.2158596 11.7411 71285 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C16683 37.4 0.0 M+H C20H28O2 -1.155630051 (R)-ar-Turmerone 217.1585086 12.2602 HMDB0035612 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.4 0.0 M+H C15H20O -0.847237919 IC202A 590.4256107 12.43043333 LMFA08020182 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.4 0.0 M+NH4 C27H52N6O7 3.55905543 Anandamide (20:l, n-9) 376.318081 12.7812 3722 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.4 0.0 M+Na C22H43NO2 -1.469689569 Erucicoyl-EA 399.3940801 12.7812 LMFA08040050 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.4 0.0 M+NH4 C24H47NO2 -1.114939323 cis-Quinceoxepane 198.1851288 13.59376667 HMDB0038108 Organoheterocyclic compounds Oxepanes Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C12H20O -0.621412237 4-O-Methylmelleolide 432.2377072 15.3507 92018 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.4 0.0 M+H, M+NH4 C24H30O6 -1.158496407 hydrous benzoyl peroxide 260.0914606 2.174483333 3935 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C14H10O4 -1.130779466 Putaminoxin 230.174902 2.339433333 67030 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C12H20O3 -0.792031599 Lafutidine 449.2237718 2.339433333 HMDB0240216 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 37.4 7.26 M+NH4 C22H29N3O4S 4.798124056 16(R)-AFP 07 (free acid) 395.2021883 2.685183333 96476 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O C22H30F2O5 -1.58652412 3-(6'-Methylthio)hexylmalic acid 265.1116544 2.797416667 64506 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0391 M+H C11H20O5S 4.669349026 8-CYCLOPENTYLTHEOPHYLLINE 249.1343055 2.9319 44461 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C12H16N4O2 -1.195748048 NH-DVal(NMe)-Val-OMe 245.1857591 2.94865 65477 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C12H24N2O3 -0.85979535 Methoxyhydroxymethylhydrocinnamic acid 211.0963802 3.18635 1504 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C11H14O4 -0.500451075 Rimiterol 241.154425 3.2875 2335 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C12H17NO3 -1.093276327 Diphthine 338.1342802 3.37185 HMDB0060474 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+K C13H23N4O4+ -2.70126837 Prolyl-Gamma-glutamate 244.1290063 3.473866667 HMDB0029031 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+H C10H17N3O4 -0.724611794 (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 368.2289462 3.712283333 94518 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.4 0.0 M+NH4 C16H30O8 3.006236543 gamma-Glutamyltryptophan 334.1393686 4.015533333 HMDB0029160 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+H C16H19N3O5 -1.13620536 cis-3-Hexenyl pentanoate 202.179953 4.262333333 87867 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.4 0.0 M+NH4 C11H20O2 -1.099220752 5-Ethyl-2-hexyl-4-methyloxazole 213.1961399 4.50795 92705 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 37.4 0.0 M+NH4 C12H21NO 0.000269604 1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid 266.1750802 4.571483333 92414 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.4 0.0 M+NH4 C15H20O3 0.040991108 Skimmianine 277.118397 4.571483333 68540 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C14H13NO4 0.438166806 3-(1,2-dihydroxybutyl)-6-hydroxy-1H-isochromen-1-one 268.1180248 4.604216667 HMDB0130061 Phenylpropanoids and polyketides Isocoumarins and derivatives Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C13H14O5 0.302758797 Hydroxystilbamidine 319.0958371 4.604216667 HMDB0240284 Phenylpropanoids and polyketides Stilbenes Unclassified Unclassified Unclassified 37.4 0.0 M+K C16H16N4O 0.956218226 202-791 359.1349158 4.650983333 69691 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C17H18N4O5 -0.224431562 CAY10509 443.2268221 4.666383333 45170 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C23H35FO5S 1.407070797 Methyl Benzylidene 277.1565679 4.682216667 43256 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+Na C18H22O 1.108923686 Yellow AB 286.0745069 4.74755 73225 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+K C16H13N3 1.62417877 3',4'-Dihydrodiol 304.1291472 4.825566667 HMDB0013895 Organoheterocyclic compounds Azolidines Imidazolidines Unclassified Unclassified 37.4 0.0 M+NH4 C15H14N2O4 -0.123427116 7-[2-TRIFLUOROMETHYL-4-(2-HYDROXYPHENYL)-1,3-DIOXAN-cis-5-YL]-HEPT-5Z-ENOIC ACID 413.0975268 4.871 44667 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+K C18H21F3O5 0.695681503 PC(O-10:1(9E)/0:0) 418.2319172 4.9501 LMGP01060027 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 37.4 0.0 M+Na C18H38NO6P -2.474653389 Lamioside 421.1717231 4.9501 LMPR0102070018 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified C11645 37.4 0.0 M+H C18H28O11 3.058121087 (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 505.1932233 4.9501 HMDB0039930 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.4 0.0 M+H C22H32O13 3.284091295 C-6 NBD Ceramide 598.3557415 5.015383333 63013 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+Na C30H49N5O6 -3.064960731 Lansiumamide B 281.165151 5.0956 93243 Phenylpropanoids and polyketides Cinnamic acids and derivatives Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C18H17NO 1.183252335 Decanoyl m-Nitroaniline 310.2122816 5.111566667 64925 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C16H24N2O3 -0.809731801 2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide 435.1882316 5.144516667 66404 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C20H23N3O7 1.931981084 Methionyl-Phenylalanine 297.1266448 5.239483333 HMDB0028980 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+H C14H20N2O3S -0.321270427 Butopyronoxyl 244.1543608 5.3049 72883 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C12H18O4 0.116017028 PS(20:1(11Z)/0:0) 574.3124808 5.3049 78847 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.4 0.0 M+Na C26H50NO9P 1.707409575 3-hydroxyhexanoyl carnitine 272.1855739 5.3953 HMDB0061633 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.4 0.0 M+H-H2O, M+Na C14H27NO5 -0.210416803 (S)-(-)-N,alpha-Dimethylbenzylamine 174.0675641 5.474733333 103465 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+K C9H13N -2.912191171 Metoxadiazone 240.0976531 5.490783333 71763 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C10H10N2O4 -1.032417231 LysoPE(14:0/0:0) 443.2864647 5.50615 HMDB0011500 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 37.4 0.0 M+NH4 C19H40NO7P -3.762743049 Methyldopexamine sulfate 468.2542123 5.537433333 2392 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C23H34N2O5S 3.428459886 5,5'-Dehydrodivanillate 352.1025349 5.569416667 72167 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C16H14O8 -0.472913739 Nicardipine 497.2395462 5.586183333 HMDB0014760 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified C07264 37.4 0.0 M+NH4 C26H29N3O6 0.177417952 Dipivefrin 390.1688822 5.635316667 HMDB0014592 Benzenoids Phenol esters Unclassified Unclassified C06963 37.4 0.0 M+K C19H29NO5 3.277518009 (9R,12R,15S)-d10-13-PhytoF[13R,16S] 362.2534518 5.682066667 LMFA02040010 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 37.4 0.0 M+NH4 C18H32O6 -0.762645678 Credazine 169.0758577 5.697833333 72858 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O C11H10N2O -0.897220048 2-trans-6-cis-Dodecadienal 163.1480629 5.76095 88509 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.4 0.0 M+H-H2O C12H20O -0.355906202 Practolol 284.1967595 5.76095 HMDB0015411 Benzenoids Benzene and substituted derivatives Anilides Unclassified C11696 37.4 0.0 M+H-H2O, M+NH4 C14H22N2O3 -0.95670133 Annuolide B 231.1377923 5.82695 92613 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.4 0.0 M+H-H2O C15H20O3 -0.660525506 N- (3-TRIFLUOROMETHYLPHENYL)PIPERAZINE (TFMPP) 253.0925232 5.82695 44359 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+Na C11H13F3N2 0.953518979 Gibberellin A39 412.1964473 5.82695 90401 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.4 0.0 M+NH4 C20H26O8 -0.370380103 (9R,12R,15S)-d10-13-PhytoF[13R,16R] 362.2534094 5.877366667 LMFA02040009 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 37.4 0.0 M+NH4 C18H32O6 -0.885598277 (+)-Syringaresinol O-beta-D-glucoside 598.2492031 5.894166667 68660 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C28H36O13 -0.368196679 PGD2 ethanolamide 413.3003054 5.910883333 HMDB0013629 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.4 0.0 M+NH4 C22H37NO5 -1.754285469 PC(14:1(9Z)/16:1(9Z)) 740.4628512 5.944716667 HMDB0007903 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1 Unclassified 37.4 0.0 M+K C38H72NO8P 0.197068982 Vanillin 1,2-butylene glycol acetal 225.1120357 5.961266667 HMDB0032552 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.4 0.0 M+H C12H16O4 -0.44518962 DAN-1 EE 359.1155511 6.011633333 64880 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+K C20H20N2O2 -0.264948161 N-(3-oxo-11Z-octadecenoyl)-homoserine lactone 397.3061007 6.0283 LMFA08030020 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.4 0.0 M+NH4 C22H37NO4 0.043630992 PGP(18:0/22:4(7Z,10Z,13Z,16Z)) 945.5035429 6.044966667 HMDB0013513 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates 1 Unclassified 37.4 0.0 M+K C46H84O13P2 1.840855201 3,4,5-trihydroxy-6-[(2-pentyl-3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid 379.1746022 6.061516667 HMDB0126537 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.4 0.0 M+H-H2O, M+H, M+NH4 C20H28O8 -1.331130168 Leonuriside A 315.1081799 6.0775 HMDB0031721 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.4 0.0 M+H-H2O C14H20O9 2.216022506 Fawcettimine 264.1955406 6.1705 67973 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C16H25NO2 -1.006440855 Apigenin 4'-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 799.1704269 6.18665 HMDB0038295 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.4 0.0 M+H C37H34O20 -1.494730684 antipyrine 189.102132 6.202516667 3931 Organoheterocyclic compounds Azoles Pyrazoles Unclassified C13244 37.4 0.0 M+H C11H12N2O -0.571081783 PC(6:2(2E,4E)/6:2(2E,4E)) 428.1846487 6.202516667 39969 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 37.4 0.0 M+H-H2O C20H32NO8P 3.107200395 Kukoamine B 548.3439053 6.266266667 71819 Benzenoids Phenols Benzenediols Unclassified C17616 37.4 0.0 M+NH4 C28H42N4O6 -0.669986716 SELINIDIN 367.0955692 6.332866667 43881 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+K C19H20O5 4.075736188 U-46619 Glycine methyl ester 439.316332 6.432616667 45275 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C24H39NO5 -0.75224792 5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone 369.0965459 6.44925 LMPK12111276 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O, M+H C20H18O8 -0.86338627 Pregnanediol-3-glucuronide 514.3371544 6.44925 HMDB0010318 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 2 C03033 37.4 0.0 M+NH4 C27H44O8 -0.583219582 tetranor-PGAM 293.1375324 6.465933333 96502 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O C16H22O6 -2.636671497 TMC-1D 541.2908135 6.53305 LMFA08020206 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.4 7.5 M+H C30H40N2O7 -0.0268933 Pentadecanedioic acid 290.2322571 6.7273 35977 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.4 0.0 M+NH4 C15H28O4 -1.204207922 Ganoderic acid Me 593.325069 6.878166667 HMDB0035333 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.4 0.0 M+K C34H50O6 2.113469849 XANTHYLETIN 246.1121607 6.892733333 43779 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C14H12O3 -1.354919052 Arginyl-Threonine 298.1480677 6.892733333 85634 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+Na C10H21N5O4 -1.843010183 Terbutaline-1-sulfate 323.1274323 6.92295 2763 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C12H19NO6S 0.978215122 Lycofawcine 324.2165791 6.971566667 67982 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C18H29NO4 -1.100528015 18-Hydroxycorticosterone 380.2431647 7.0212 LMST02030091 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C01124 37.4 0.0 M+NH4 C21H30O5 0.04181288 7-Hydroxycostol 237.1847024 7.087216667 90397 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.4 0.0 M+H C15H24O2 -0.863791249 Tetranor-12(R)-HETE 267.1951407 7.087216667 35513 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C16H26O3 -1.241470255 Rhodinyl phenylacetate 292.2267892 7.087216667 92158 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.4 0.0 M+NH4 C18H26O2 -1.153965376 1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol 358.1313744 7.3852 69093 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+K C20H21N3O -0.770801956 (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid 292.2267867 7.419333333 91149 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.4 0.0 M+NH4 C18H26O2 -1.162974905 Pregeijerene 163.1479829 7.485833333 HMDB0036759 Hydrocarbons Unsaturated hydrocarbons Branched unsaturated hydrocarbons Unclassified Unclassified 37.4 0.0 M+H C12H18 -0.888603429 2,2'-Dihydroxybiphenyl 187.0752831 7.485833333 65928 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C12H10O2 -0.391765011 (6E,8S,10Z)-8-hydroxy-3-oxohexadecadienoic acid 265.1795178 7.502433333 HMDB0062366 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O C16H26O4 -1.074745461 1-Acetyl-3,14,20-trihydroxywitha-5,24-dienolide 3-glucoside 679.3678305 7.502433333 89381 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 37.4 0.0 M+H-H2O, M+H C36H54O12 -1.761683503 5Z-Tetradecenoic acid 244.2268736 7.519116667 HMDB0000521 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.4 0.0 M+NH4 C14H26O2 -1.025736092 Cymathere lactone 308.2215597 7.552183333 65418 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C18H26O3 -1.586978146 Precocene I 191.1065078 7.585266667 67354 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C12H14O2 -0.780369113 4-Hydroxypropofol 212.1643014 7.601833333 HMDB0014018 Benzenoids Benzene and substituted derivatives Cumenes Unclassified Unclassified 37.4 0.0 M+NH4 C12H18O2 -1.050459679 3-Pyrrolidineacetic acid, 5-oxo-4,4-diphenyl- (9CI) 313.1542899 7.618366667 2449 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C18H17NO3 -1.284192787 Dimethylbenzyl carbinyl hexanoate 249.1845017 7.7527 HMDB0032228 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 37.4 0.0 M+H C16H24O2 -1.631016533 Philanthotoxin 343 418.3158799 7.843266667 69713 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O C23H41N5O3 -4.070625468 Marindinin 250.1435193 7.891566667 HMDB0029504 Phenylpropanoids and polyketides Kavalactones Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C14H16O3 -1.079832812 Lucidenic acid G 494.3102768 7.90815 90876 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.4 0.0 M+NH4 C27H40O7 -1.999576199 MG(0:0/i-15:0/0:0) 334.2946574 7.924783333 HMDB0072849 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.4 0.0 M+NH4 C18H36O4 -1.668775518 Grepafloxacin 382.1537852 8.03795 69017 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Unclassified C11368 37.4 0.0 M+Na C19H22FN3O3 0.124611634 AVOCADYNE ACETATE 309.2419521 8.087166667 43513 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H-H2O C19H34O4 -1.438232123 PS(O-18:0/0:0) 534.3166154 8.216633333 78862 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.4 0.0 M+Na C24H50NO8P -0.018436534 SAPPANONE A 7-METHYL ETHER 316.1175133 8.521183333 43716 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C17H14O5 -1.461863489 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 549.2374555 8.535433333 HMDB0135577 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+NH4 C26H33N3O7S -0.548715926 Cannabidiol dimethyl ether 343.2628775 8.719533333 44843 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+H C23H34O2 -0.816003463 4-Hydroxymibefradil 534.2732942 8.989883333 1277 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+Na C29H38FN3O4 -1.097964599 Octyl butanoate 183.174263 9.04885 89735 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.4 0.0 M+H-H2O C12H24O2 -0.393320748 P-Hydroxydesmethylgliquidone 547.2221108 9.25525 3127 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+NH4 C26H31N3O7S 0.026284346 MG(19:0/0:0/0:0) 390.3571929 9.333816667 HMDB0072839 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.4 0.0 M+NH4 C22H44O4 -1.591497128 11-keto palmitic acid 288.2529451 9.565116667 35752 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.4 0.0 M+NH4 C16H30O3 -1.388616953 4'-Isopropylacetophenone 145.1009765 9.778933333 HMDB0032025 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.4 0.0 M+H-H2O C11H14O -1.235743967 2-Hydroxyhexadecanoylcarnitine 438.3209078 9.895616667 LMFA07070113 Unclassified Unclassified Unclassified 1 Unclassified 37.4 0.0 M+Na C23H45NO5 4.607397936 Coronafacic acid 191.1065127 0.00225 71096 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O C12H16O3 -0.689280999 Dihydrogeranylacetone 197.1899153 0.00225 HMDB0041490 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.3 0.0 M+H C13H24O -0.389947918 (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate 341.150122 0.538583333 HMDB0031038 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.3 6.68 M+K C19H26O3 -4.07296477 6-Mercaptopurine 190.9792156 0.580133333 503 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C02380 37.3 0.0 M+K C5H4N4S 2.56804261 Lysyl-Asparagine 261.1555016 0.607833333 85848 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+H C10H20N4O4 -0.88415844 Guanidinoproclavaminic acid 262.1505866 0.607833333 64566 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C9H16N4O4 -1.613634155 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 187.1440912 0.635583333 6234 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01259 37.3 0.0 M+H-H2O C9H20N2O3 -0.063825551 2,5-Dimethyl-3-furanthiol acetate 188.0740148 0.64945 HMDB0032234 Organosulfur compounds Thioethers Aryl thioethers Unclassified Unclassified 37.3 0.0 M+NH4 C8H10O2S 0.227458307 Verbascose 851.2623489 0.663316667 66867 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+Na C30H52O26 -1.8756915 Hydroxyprolyl-Arginine 310.1493417 0.690983333 85766 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+Na C11H21N5O4 2.670526443 4a-Hydroxytetrahydrobiopterin 280.1025725 0.704816667 HMDB0002281 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives 2 C15522 37.3 0.0 M+Na C9H15N5O4 3.686301624 PC(2:0/1:0)[U] 345.139462 1.0006 39729 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H, M+Na, M+NH4 C11H22NO8P -3.987316602 Norfenfluramine 226.0821709 1.056116667 2681 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+Na C10H12F3N 3.772584422 Melatonin glucuronide 431.1406669 1.084133333 HMDB0060830 Nucleosides, nucleotides, and analogues Nucleoside and nucleotide analogues 1-pyranosylindoles Unclassified Unclassified 37.3 0.998 M+Na C19H24N2O8 -4.45792023 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol 529.2250143 1.098383333 HMDB0002276 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.3 0.0 M+NH4 C20H33NO14 2.120522335 1,8-Epoxy-p-menthan-4-ol glucoside 333.1914839 1.303766667 89082 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.3 0.0 M+H C16H28O7 2.120052619 2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}acetic acid 252.0976972 1.363833333 HMDB0134939 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+NH4 C11H10N2O4 -0.790920687 ETHYL SYRINGATE 227.0911689 1.666633333 84963 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C11H14O5 -1.022004048 PS-5 316.132449 1.716933333 71644 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C13H18N2O4S -0.350840836 D-Arginine 197.1001264 1.767216667 HMDB0003416 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00792 37.3 0.0 M+Na C6H14N4O2 -4.42253628 2-Phenylethyl pentanoate 207.1376993 10.006 90376 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.3 0.0 M+H C13H18O2 -1.246687658 Corchorifatty acid F 351.2141649 10.06631667 HMDB0035919 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.3 0.0 M+H, M+Na C18H32O5 -1.483062802 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate 383.294013 10.16061667 70759 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O C26H40O3 -1.108834563 Momordicinin 439.3566089 10.17686667 90164 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.3 0.0 M+H C30H46O2 -1.022494481 Propoxyphene carbinol 306.182401 10.20936667 2168 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+Na C19H25NO -1.532904989 19-Hydroxytestosterone 305.2107265 10.30253333 2793 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05294 37.3 0.0 M+H C19H28O3 -1.297472988 (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one 459.3464533 10.39106667 90478 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.3 0.0 M+H C29H46O4 -0.944989934 Dihydroceramide 330.2998274 10.45468333 58540 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives 2 C12126 37.3 0.0 M+H C19H39NO3 -1.345890797 Diisononyl phthalate 457.2724421 10.51926667 70706 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+K C26H42O4 2.328890602 8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane 213.1846973 10.53591667 LMPK09000035 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C13H24O2 -0.985840332 (25R)-12alpha-hydroxy-24R,26R-dimethyl-26,27-cyclo-cholest-4-en-3,6-dione 457.3308197 10.59686667 84250 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O, M+H C29H44O4 -1.339554699 MG(0:0/14:1(9Z)/0:0) 283.2264043 10.64501667 62315 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.3 0.0 M+H-H2O C17H32O4 -1.222205271 Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl 446.2539072 10.6612 1328 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C25H35NO6 0.433405512 4-(tert-butyl)phenyl benzoate 255.1376789 10.67678333 96343 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 3.5 M+H C17H18O2 -1.091376257 Australigenin 431.3151989 10.6921 86703 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Unclassified 1 Unclassified 37.3 0.0 M+H-H2O, M+H C27H42O4 -1.105965305 Palmitoyl glucuronide 401.2895083 10.82331667 61652 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 C03033 37.3 0.0 M+H-H2O C22H42O7 -0.614715181 D-Glucosyldihydrosphingosine 446.3471456 10.82331667 66066 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O C24H49NO7 -1.012343782 7alpha-hydroxyandrost-4-ene-3,17-dione 303.1950632 10.873 LMST02020071 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05296 37.3 0.0 M+H C19H26O3 -1.350048042 9Z,12Z-hexadecadienoic acid 253.2158776 10.88935 34939 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C16H28O2 -1.304374964 2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid 327.2161641 10.95276667 74953 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H, M+Na C18H30O5 -1.337836783 trans-brassidic acid 356.351793 10.98478333 34769 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C08316 37.3 0.0 M+NH4 C22H42O2 -1.516717236 Hexylbenzene 163.1479347 11.10941667 HMDB0061815 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.3 0.0 M+H C12H18 -1.186230041 (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one 494.3835122 11.21606667 HMDB0039443 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.3 0.0 M+NH4 C29H48O5 -1.024299128 11-Methyl-7-oxatetracyclo[6.3.1.01,6.04,11]dodecane 196.1694379 11.36115 HMDB0035055 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.3 0.0 M+NH4 C12H18O -0.857753761 5-Androstenetriol 307.2261616 11.4223 LMST02020099 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 37.3 0.0 M+H C19H30O3 -1.990855885 (3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol 309.205583 11.4223 HMDB0031963 Organoheterocyclic compounds Naphthofurans Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O C18H30O5 -1.38818536 9-OxoODE 312.2528622 11.78728333 HMDB0004669 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 3 C14766 37.3 0.0 M+NH4 C18H30O3 -1.557193249 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde 175.1480062 11.80243333 87904 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.3 0.0 M+H-H2O C13H20O -0.628921014 N-Cyclopropyl-trans-2-cis-6-nonadienamide 176.1432691 11.80243333 HMDB0032210 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 37.3 0.0 M+H-H2O C12H19NO -0.553179227 (ent-16alpha)-16-Kauranol 308.2943776 11.99071667 HMDB0036723 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.3 0.0 M+NH4 C20H34O -1.425117279 17-Propyl-5alpha-androst-2-en-17beta-ol 334.30997 12.30685 70435 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C22H36O -1.490095769 Polidocanol 600.4674888 12.68573333 69582 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C30H62O10 -1.090186339 Abietinol 306.2786933 13.16556667 HMDB0034736 Lipids and lipid-like molecules Prenol lipids Diterpenoids 2 C11882 37.3 0.0 M+NH4 C20H32O -1.553673398 cis-1,2-Diphenylcyclobutane 226.1587617 15.17351667 70084 Phenylpropanoids and polyketides Stilbenes Unclassified Unclassified C14467 37.3 0.0 M+NH4 C16H16 -1.269918304 PC(18:1(9Z)/0:0) 504.3467786 15.6893 LMGP01050032 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1 Unclassified 37.3 0.0 M+H-H2O C26H52NO7P 3.696559636 Methionyl-Glycine 189.0691905 2.174483333 HMDB0028973 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+H-H2O C7H14N2O3S -0.167892184 alpha-L-Rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->3)-L-fucose 490.2138656 2.174483333 HMDB0039741 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.3 0.0 M+H-H2O, M+NH4 C18H32O14 1.773889767 3,4,5-trihydroxy-6-[(3-methylbutanoyl)oxy]oxane-2-carboxylic acid 296.1343406 2.256333333 HMDB0130798 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.3 0.0 M+NH4 C11H18O8 1.249568171 5,4'-DIMETHOXY-7-HYDROXYFLAVONE 299.0912265 2.6036 44071 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C17H14O5 -0.582102489 Fenfuram 219.1126929 2.716533333 72598 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C12H11NO2 -0.553164106 3-(3-Methylbutylidene)-1(3H)-isobenzofuranone 220.1329532 2.73235 87843 Organoheterocyclic compounds Isocoumarans Isobenzofuranones Unclassified Unclassified 37.3 0.0 M+NH4 C13H14O2 -1.246858911 5-Nitroacenaphthene 217.0970262 2.96555 72987 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C12H9NO2 -0.642094785 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 423.1802898 3.0672 LMPK12111988 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C25H26O6 0.177171343 10-Hydroxy-8-nor-2-fenchanone glucoside 334.1867577 3.135316667 89442 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.3 0.0 M+NH4 C15H24O7 2.306130629 Pseudobaptigenin 265.0494022 3.169383333 47573 Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes 1 C10522 37.3 0.0 M+H-H2O C16H10O5 -0.47130257 cis-Sinapic acid 225.0754955 3.220116667 HMDB0034069 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.3 0.0 M+H C11H12O5 -1.135606214 Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate 264.159193 3.541966667 HMDB0031900 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.3 0.0 M+NH4 C15H18O3 -0.922198023 3-(Cystein-S-yl)acetaminophen 288.1009704 3.882683333 HMDB0240217 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+NH4 C11H14N2O4S -1.047949872 Olomoucine 321.14418 3.882683333 45229 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 37.3 0.0 M+Na C15H18N6O 2.515787187 1-O-alpha-D-Glucopyranosyl-D-mannitol 383.0943138 4.113283333 LMFA13010063 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.3 0.0 M+K C12H24O11 -2.051185743 5-Aminoacenaphthene 170.0963216 4.179966667 73029 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C12H11N -0.616340185 10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid 230.1749026 4.278366667 45792 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.3 0.0 M+NH4 C12H20O3 -0.78922954 3-Fumarylpyruvate 204.0495108 4.294566667 63504 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 2 C02514 37.3 0.0 M+NH4 C7H6O6 -4.046222138 gamma-sanshool 312.1733619 4.34365 LMFA08020179 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.3 1.52 M+K C18H27NO 3.438087071 Plantaricin BN 507.2196073 4.34365 92965 Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Unclassified Unclassified 37.3 0.0 M+Na C24H36O10 -0.951567621 EDOXUDINE 257.1131267 4.393 44641 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C11H16N2O5 -0.27871331 Iso-Olomoucine 316.1872687 4.4433 96580 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C15H18N6O -2.569182049 Blasticidin S 445.1932456 4.540083333 HMDB0030452 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C02010 37.3 0.0 M+Na C17H26N8O5 3.337047376 LysoPA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 465.2379984 4.540083333 HMDB0114755 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.3 4.17 M+H-H2O C25H39O7P -4.258303609 Meglumine 178.1065724 4.635566667 HMDB0240291 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.3 0.0 M+H-H2O C7H17NO5 -4.161672998 3-O-Methylisoproterenol 243.1702441 4.635566667 853 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C12H19NO3 -0.332495063 9-Decenoylcholine 279.2178971 4.635566667 85233 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Unclassified Unclassified 37.3 0.0 M+Na C15H30NO2+ 3.989538853 METERGOLINE 426.216502 4.76395 44120 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+Na C25H29N3O2 3.234217113 3-(a-Naphthoxy)lactic acid 250.1071726 4.825566667 2176 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C13H12O4 -0.912496265 Haemanthidine 335.1600751 4.841016667 69343 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C17H19NO5 -0.230769087 1-Palmitoylglycerophosphoinositol 573.2981166 4.841016667 HMDB0061695 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols 3 Unclassified 37.3 0.0 M+H C25H49O12P -9.301916733 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide 207.1493037 4.885333333 66251 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C12H15NO 0.602898324 Cinncassiol A 19-glucoside 545.2565863 4.885333333 HMDB0035165 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.3 0.0 M+H C26H40O12 -4.899957756 Serpentine 366.1808875 4.9001 64329 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C21H20N2O3 -0.949332157 Cymather aldehyde methyl ester 228.1595024 4.966716667 65405 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C12H18O3 0.392526648 Trilostane 352.1866731 4.983366667 HMDB0015240 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Unclassified C12580 37.3 15.3 M+Na C20H27NO3 -4.98580173 4'-hydroxymephenytoin 252.1342935 5.015383333 HMDB0060968 Organoheterocyclic compounds Azolidines Imidazolidines Unclassified Unclassified 37.3 0.0 M+NH4 C12H14N2O3 0.109467674 2,4'-Diphenyldiamine 185.1074096 5.047433333 73114 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C12H12N2 0.460452667 Fluenetil 259.1130312 5.079183333 72782 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C16H15FO2 0.568895587 Penicilloic acid V 386.1378094 5.1277 1740 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C16H20N2O6S -0.607027738 R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one 386.1711351 5.1774 65462 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+K C20H29NO4 -4.842664096 HMR1556 342.1476826 5.223183333 69699 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C15H20N2O4S -1.607714994 Desglucocheirotoxol 553.3020118 5.223183333 89556 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 37.3 0.0 M+H C29H44O10 2.331651997 Furmecyclox 252.1593988 5.239483333 72673 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C14H21NO3 -0.084180888 PC(16:0/3:1(2E)) 588.3058065 5.2563 LMGP01010668 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 37.3 0.0 M+K C27H52NO8P -0.738698345 4'-Hydroxyminoxidil 248.112743 5.272583333 1317 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+Na C9H15N5O2 4.20915952 12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate 491.2862141 5.3049 HMDB0060119 Lipids and lipid-like molecules Saccharolipids Unclassified 1 Unclassified 37.3 0.0 M+H C24H42O10 2.32555532 Zidovudine 285.1314112 5.364233333 HMDB0014638 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2',3'-dideoxyribonucleosides 2 C07210 37.3 0.0 M+NH4 C10H13N5O4 3.113872196 Goniothalenol 250.1072099 5.4597 68020 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C13H12O4 -0.751978835 Buprenorphine glucuronide 626.3325158 5.586183333 HMDB0060928 Organoheterocyclic compounds Pyridines and derivatives Bipyridines and oligopyridines Unclassified Unclassified 37.3 15.1 M+H-H2O C35H49NO10 0.244470504 Dihydromyoporone 253.1796709 5.6028 HMDB0035729 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.3 0.0 M+H C15H24O3 -0.595642965 9-Nitroanthracene 224.070546 5.619533333 73164 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C14H9NO2 -0.264321702 Disopyramide 378.1939131 5.619533333 HMDB0014425 Organoheterocyclic compounds Pyridines and derivatives Pheniramines Unclassified C06965 37.3 0.0 M+K C21H29N3O -0.906600728 Probenazole 224.0374231 5.713466667 72289 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C10H9NO3S -0.751029573 N-Acetylserotonin glucuronide 395.1443824 5.82695 HMDB0060833 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.3 0.0 M+H C18H22N2O8 -1.293166743 (S)-Norreticuline 333.1806748 5.894166667 64392 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C18H21NO4 -0.66280957 (S)-Pterosin P 235.1327284 5.910883333 91667 Benzenoids Indanes Indanones Unclassified Unclassified 37.3 0.0 M+H C14H18O3 -0.608669312 Sucrose 360.1474547 5.910883333 HMDB0000258 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C00089 37.3 0.0 M+NH4 C12H22O11 -7.548123132 ISOTECTORIGENIN, 7-METHYL ETHER 311.0911243 5.9279 43645 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O, M+H C18H16O6 -0.84017272 methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate 374.2534091 5.9279 74466 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.3 0.0 M+NH4 C19H32O6 -0.856744062 Coronatine 337.2117651 5.961266667 71344 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C18H25NO4 -1.311913304 Combrestatin A4 355.0938827 6.044966667 45060 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+K C18H20O5 -1.104316385 N-(3-oxododecanoyl) homoserine lactone 315.2276217 6.0926 LMFA08030001 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.3 0.0 M+NH4 C16H27NO4 -0.713785837 3-Oxo-delta1-steroid 255.2103858 6.138516667 65869 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O C19H28O -1.254274595 Trilobatin 419.1334625 6.332866667 HMDB0037505 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides 3 Unclassified 37.3 0.0 M+H-H2O C21H24O10 -0.449819978 PC(8:0/7:0)[U] 496.3023945 6.432616667 39984 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C23H46NO8P -1.990704862 3-Amino-4-hydroxybiphenyl 203.1177615 6.465933333 96357 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C12H11NO -0.691863403 19(20)-EpDPE 345.2415728 6.6307 LMFA04000038 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.3 0.0 M+H-H2O, M+H C22H32O3 -1.646625442 Lysergic acid diethylamide 362.1627036 6.64695 66677 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+K C20H25N3O -0.671148226 Tetrahydrofurfuryl cinnamate 250.1435346 6.663433333 91338 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Unclassified Unclassified 37.3 0.0 M+NH4 C14H16O3 -1.013776212 PC(14:2(Z)l8,8/0:0)[U] 466.2909345 6.695866667 40281 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C22H44NO7P -4.043319073 all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid 265.179512 6.742183333 LMFA01050502 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.3 0.0 M+H-H2O, M+H C16H24O3 -0.979473846 3-Methoxyestra-1,3,5(10),16-tetraene 307.1449722 6.742183333 70600 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+K C19H24O -3.360810215 methyl 9,12-dihydroxy-13-oxo-10-octadecenoate 360.2738144 6.742183333 LMFA01050149 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.3 0.0 M+NH4 C19H34O5 -1.85626436 U-75302 379.2951118 6.803616667 43455 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C22H35NO3 -1.128660205 Tetraneurin A 340.1749825 6.938916667 67802 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C17H22O6 -1.494670374 1-Oleoyl-2-acetyl-sn-glycerol 416.3364662 6.987866667 424 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C23H42O5 -1.465697878 1-Hydroxyibuprofen 240.1593896 7.037866667 HMDB0060565 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C13H18O3 -0.136655215 Auxin a 346.2583425 7.087216667 93162 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.3 0.0 M+NH4 C18H32O5 -1.392780934 Citronellyl alpha-toluate 292.2266878 7.2199 HMDB0037230 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.3 0.0 M+NH4 C18H26O2 -1.523874446 8,9-DiHETrE-EA 399.3214523 7.269383333 LMFA08040030 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.3 0.0 M+NH4 C22H39NO4 -0.739593783 1b-Furanoeudesm-4(15)-en-1-ol acetate 257.1530375 7.352033333 HMDB0032697 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.3 4.06 M+H-H2O C17H22O3 -2.074851634 Leukotriene A3 methyl ester 317.2470566 7.502433333 45636 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O, M+H C21H34O3 -1.346555341 alpha-Terpineol propanoate 211.1690307 7.650933333 HMDB0032052 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.3 0.0 M+H C13H22O2 -1.073976605 oxy-Arachidonoyl Ethanolamide 381.3107074 7.7527 45139 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C22H37NO3 -1.272152172 Arachidonoyl Glycine-d8 392.2997556 7.8755 96396 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+Na C22H27D8NO3 -3.717781275 Sorbitan palmitate 420.3315979 7.8755 LMFA07011019 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.3 0.0 M+NH4 C22H42O6 -0.911404961 Tsuzuic acid 244.2268419 7.90815 HMDB0005051 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.3 0.0 M+NH4 C14H26O2 -1.166009142 (5Z,8Z)-tetradecadienoylcarnitine 350.2685718 7.90815 LMFA07070020 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 37.3 0.0 M+H-H2O, M+H C21H37NO4 -1.08544991 Pitheduloside I 489.3569908 7.941333333 89673 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.3 0.0 M+H C30H48O5 -0.942586829 U-51605 371.210041 8.103666667 45682 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+K C20H32N2O2 1.518943237 Zwittergent 3-14 381.3140759 8.298783333 68920 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C19H41NO3S -1.279532316 Piperochromanoic acid 374.2322955 8.314966667 95112 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.3 0.0 M+NH4 C22H28O4 -0.812584435 3-trans-Caffeoyltormentic acid 689.3455141 8.34725 95128 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.3 0.0 M+K C39H54O8 0.749245023 1-O-(2R-hydroxy-heneicosanyl)-sn-glycerol 441.3357348 8.364 LMGL01020067 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 37.3 0.0 M+K C24H50O4 4.142149797 2-(3-Phenylpropyl)tetrahydrofuran 173.132318 8.535433333 91327 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O C13H18O -0.835838637 GANT 61 430.2945702 8.549466667 96517 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.028 M+H-H2O, M+H C27H35N5 -4.895974332 1-Phenyl-2-hexanone 159.1165018 8.733933333 HMDB0094661 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O C12H16O -1.845848914 Leukotriene E4-d5 427.2666184 8.733933333 96401 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H-H2O C23H32D5NO5S -1.623796078 PGB2 317.2106686 9.081183333 3466 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05954 37.3 0.0 M+H-H2O C20H30O4 -1.354174492 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid 323.2576258 9.22305 HMDB0062290 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.3 0.0 M+H C20H34O3 -1.38263881 Unknown 370 413.3047123 9.25525 HMDB0039022 Lipids and lipid-like molecules Prenol lipids Sesterterpenoids 1 Unclassified 37.3 0.0 M+H C27H40O3 -0.750055415 Neuromedin N 635.414537 9.270916667 HMDB0013022 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+NH4 C32H51N5O7 3.016708378 3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate 394.295049 9.532 70647 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+NH4 C23H36O4 -0.3619994 PC(O-14:1(1E)/0:0) 474.2956832 9.532 LMGP01070001 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 37.3 0.0 M+Na C22H46NO6P 0.415925504 N-palmitoyl histidine 394.3052269 9.565116667 LMFA08020132 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.3 0.0 M+H C22H39N3O3 -3.029779152 5-Hexyltetrahydro-2-furanoctanoic acid 316.2842692 9.581783333 HMDB0031127 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.3 0.0 M+NH4 C18H34O3 -1.177898334 Akeboside Ste 897.5210011 9.793166667 71776 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+H C47H76O16 0.433141462 2-Butyl-5-methyl-4-propyloxazole 199.1801503 0.00225 HMDB0037894 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 37.2 0.0 M+NH4 C11H19NO -1.87381919 Formetanate 239.149987 0.6217 72452 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C11H15N3O2 -1.199805243 (R)-3-Hydroxydodecanoic acid 239.1615747 0.635583333 HMDB0010728 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 37.2 0.0 M+Na C12H24O3 -0.881548637 Penciclovir 271.1510013 0.67715 HMDB0014444 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified C07417 37.2 0.0 M+NH4 C10H15N5O3 -1.238963829 4-Fluorophenacetic acid 234.054203 0.774083333 1289 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+Na C10H10FNO3 2.420513542 3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid 288.107688 0.774083333 HMDB0135168 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.2 0.0 M+NH4 C12H14O7 -0.334433298 CAY10572 252.053469 0.7879 45627 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C12H11N3O 0.464440995 2-N-Undecyltetrahydrothiophene 281.1704921 0.94255 68825 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C15H30S 2.114130977 CAY10398 294.1810854 1.0006 64885 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C15H23N3O3 -0.452427917 Boschnialactone 172.1331641 1.01445 67929 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C9H14O2 -0.26693131 3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole 250.0742963 1.070083333 HMDB0029746 Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Unclassified C19306 37.2 0.0 M+K C13H13N3 0.903638432 Acarbose (M7) 575.2302463 1.140533333 762 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+Na C24H40O14 -1.412964663 Butoxycarboxim 223.0746251 1.2294 72434 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C7H14N2O4S -0.35685341 S-Allyl-L-cysteine 162.0579419 1.318883333 71319 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C6H11NO2S -2.385016056 5-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-2-methoxy-, (3S-trans)-Phenol 370.121942 1.533116667 1712 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C19H22FNO3 1.244580479 2'-Hydroxyfurano[2'',3'':4',3']chalcone 303.0385536 1.700233333 51808 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H-H2O, M+K C17H12O3 -2.649339525 Hexadecanoic acid, 16-iodo-; omega-Iodohexadecanoic acid; 16-Iodohexadecanoic acid 383.1446222 1.716933333 74848 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C16H31IO2 1.223601563 Tribenuron methyl 413.1234421 1.783966667 68726 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C15H17N5O6S -0.854828376 6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]oxane-2,3,4,5-tetrol 490.2141718 1.783966667 HMDB0127459 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.2 0.0 M+NH4 C18H32O14 2.415512099 4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acetic acid 336.1221178 1.867833333 1356 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C15H23NO5 4.498806173 Diphylloside B 826.3123954 1.867833333 50136 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.2 0.0 M+NH4 C38H48O19 -0.506596708 4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside 485.1400112 1.917 LMPK12120315 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+Na C23H26O10 -3.908983037 (2-trans,6-trans)-farnesal 203.1792266 10.006 LMPR0103010012 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C03461 37.2 0.0 M+H-H2O C15H24O -0.91099268 Araliasaponin I 911.4982219 10.17686667 HMDB0036476 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.2 0.0 M+H-H2O C47H76O18 -1.782911608 5,6-DHET 321.2419481 10.28776667 HMDB0002343 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14772 37.2 0.0 M+H-H2O C20H34O4 -1.399103626 Shiromodiol diacetate 356.2428057 10.28776667 67909 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C19H30O5 -1.01671883 17-Hydroxymethylethisterone 343.2266433 10.30253333 HMDB0060710 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 37.2 0.0 M+H C22H30O3 -0.373962284 27-Hydroxyisomangiferolic acid 473.362127 10.31675 91240 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 2 C17568 37.2 0.0 M+H C30H48O4 -0.866919985 (E)-7-Tetradecene 214.2526963 10.34555 HMDB0061833 Hydrocarbons Unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Unclassified Unclassified 37.2 0.0 M+NH4 C14H28 -1.172712483 17a,21-Dihydroxy-5b-pregnane-3,11,20-trione 345.2056577 10.39106667 HMDB0006758 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05469 37.2 0.0 M+H-H2O C21H30O5 -1.044018393 12alpha-Hydroxy-13,18-dehydroparain 359.1847138 10.47075 HMDB0039557 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.2 0.0 M+H-H2O C21H28O6 -1.559101108 Dihydrocapsiate 309.205533 10.62896667 HMDB0034781 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.2 0.0 M+H C18H28O4 -1.631382091 Perulactone B 527.2409674 10.67678333 HMDB0030119 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.2 0.0 M+K C28H40O7 0.830949655 7Z,10Z,13Z-hexadecatrienoic acid 268.2270034 10.72515 96765 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C16H26O2 -0.408539605 Norselic acid D 457.3308862 10.77416667 LMST01040192 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 37.2 0.0 M+H C29H44O4 -0.767308994 Ginsenoyne J 229.1950089 11.10941667 HMDB0040373 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.2 0.0 M+H-H2O C17H26O -0.27725906 5beta-1,3,7(11)-Eudesmatrien-8-one 217.1585562 11.16815 91151 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.2 0.0 M+H C15H20O -0.626702508 Menthol propylene glycol carbonate 517.3730716 11.16815 94334 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C28H52O8 -0.820048844 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol 413.3045886 11.23268333 95230 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.2 0.0 M+H C27H40O3 -1.050095673 7-Ethyl-5,6-dihydro-1,4-dimethylazulene 187.1479659 11.26565 HMDB0035759 Hydrocarbons Unsaturated hydrocarbons Branched unsaturated hydrocarbons Unclassified Unclassified 37.2 0.0 M+H C14H18 -0.865261398 Glyodin 309.3259443 11.31523333 72700 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C20H40N2 -1.561368713 1-Phenyl-5-heptene-1,3-diyne 184.1119831 11.39205 66991 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C13H10 -0.558335382 4,8,12,16-Tetramethylheptadecan-4-olide 342.3361586 11.40651667 265038 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C21H40O2 -1.533947994 Ethyl oleate 328.3204657 11.43813333 LMFA07010880 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C03425 37.2 0.0 M+NH4 C20H38O2 -1.74119413 Momordol 458.3834752 11.55166667 86511 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.2 0.0 M+NH4 C26H48O5 -1.192227188 2-METHOXY-5 (6)EPOXY-TETRAHYDROCARYOPHYLLENE 253.2158814 12.66993333 44490 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C16H28O2 -1.289101111 20-Hydroxyeicosatetraenoic acid 303.2313748 12.92051667 HMDB0005998 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C14748 37.2 0.0 M+H-H2O C20H32O3 -1.50471228 ethyl hexadecanoate 302.3049627 13.65276667 LMFA07010471 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.2 0.0 M+NH4 C18H36O2 -1.383173069 Diphenylamine 170.0962466 14.65993333 68774 Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Unclassified C11016 37.2 0.0 M+H C12H11N -1.059810362 Metaxalone 239.1388012 2.0298 HMDB0014798 Benzenoids Phenol ethers Unclassified Unclassified C07934 37.2 0.0 M+NH4 C12H15NO3 -0.98457992 Alkhanol 305.1162592 2.487916667 HMDB0036152 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.2 0.0 M+K C15H22O4 4.854288647 Cysteinyl-Arginine 316.0846684 2.70095 85683 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M+K C9H19N5O3S 2.345042328 (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside 368.228972 2.831133333 94519 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.2 0.0 M+NH4 C16H30O8 3.079743523 3-PRENYL-4-HYDROXYACETOPHENONE 222.1487896 2.982433333 43938 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C13H16O2 -0.321655306 Cepharadione A 306.0758681 3.152333333 HMDB0034364 Alkaloids and derivatives Aporphines Unclassified Unclassified Unclassified 37.2 0.0 M+H C18H11NO4 -0.708599617 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide 407.0937952 3.2875 HMDB0041693 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.2 0.0 M+Na C17H20O10 -2.791651918 PS-6 313.1212946 3.7293 71645 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C14H20N2O4S -1.153442195 Mephenytoin 219.1126556 3.9669 43242 Organoheterocyclic compounds Azolidines Imidazolidines Unclassified Unclassified 37.2 0.0 M+H C12H14N2O2 -0.681154653 Domesticoside 345.1193018 4.146366667 86396 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.2 0.0 M+H C15H20O9 3.758093092 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-hydroxy-9-methoxy- 252.0864637 4.230033333 1207 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C12H10O5 -0.791279234 Xylostasin 437.2250717 4.426716667 71793 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H-H2O C17H34N4O10 1.90795484 M-toluic Acid 154.0862566 4.5244 HMDB0062810 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C07211 37.2 0.0 M+NH4 C8H8O2 0.011395252 Dicrotophos 260.0666233 4.540083333 72442 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+Na C8H16NO5P 3.346309273 3-Amino-6H-dibenzo[b,d]pyran-6-one 229.0971896 4.604216667 70452 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C13H9NO2 0.168381017 Gibberellin A105 353.1346471 4.604216667 HMDB0031076 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.2 0.0 M+Na C19H22O5 -3.929682205 AG-123 238.0638556 4.682216667 45249 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C10H8N2O2S -2.810551673 Pterosin N 252.1592961 4.779683333 HMDB0038218 Benzenoids Indanes Indanones Unclassified Unclassified 37.2 0.0 M+NH4 C14H18O3 -0.528862736 Dihydroferuloylglycine 271.1288921 4.966716667 HMDB0041725 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.2 0.0 M+NH4 C12H15NO5 0.173697362 Isoproturon 224.1758598 5.015383333 68764 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C12H18N2O 0.587372672 4-(2-Pyrazinylethenyl)phenol 199.0867247 5.161166667 70536 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C12H10N2O 0.682942866 DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER ACETATE 374.1602462 5.239483333 43610 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C20H20O6 1.21403251 Funebrine 366.2020054 5.2563 68151 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C18H24N2O5 -0.982415565 5-L-Glutamyl-taurine 255.0645748 5.364233333 58226 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05844 37.2 0.0 M+H C7H14N2O6S 0.162113635 3-(1,2,3-trihydroxybutyl)-1H-isochromen-1-one 268.1177555 5.3798 HMDB0130062 Phenylpropanoids and polyketides Isocoumarins and derivatives Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C13H14O5 -0.773879454 Fenamic acid 231.1127955 5.3953 69644 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C13H11NO2 -0.040441192 (1S,16R)-5,7,11-trihydroxy-8,8,12,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-10-methylidene-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-9-one 522.297457 5.3953 HMDB0127533 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 37.2 0.0 M+H-H2O, M+NH4 C27H40N2O5S 2.461323195 7-Oxomeptazinol 248.1643131 5.427633333 1140 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H, M+K C15H21NO2 -0.778027049 N-benzylideneaniline n-oxide 215.1178353 5.44365 4112 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C13H11NO -0.27518771 3-Hydroxymethyltriazolopthalazinone glucuronide 393.1402751 5.4597 3168 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C17H17N3O7 -0.534104887 Isolindleyin 461.1439333 5.490783333 HMDB0039378 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 Unclassified 37.2 0.0 M+H-H2O C23H26O11 -0.606628309 LysoPA(0:0/18:1(9Z)) 475.2221147 5.537433333 HMDB0007851 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.2 0.0 M+K C21H41O7P -0.077093767 PC(O-14:0/2:0)[U] 534.2950014 5.6028 40049 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C24H50NO7P -1.30474854 3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone 289.0493234 5.619533333 LMPK12130007 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H-H2O C18H10O5 -0.692034746 Linalool 3,7-oxide beta-primeveroside 465.2341043 5.650983333 91645 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.2 0.0 M+H C21H36O11 2.295989002 Eucommin A 589.1662808 5.66695 68383 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C27H34O12 -3.460159856 Peonidin 3-galactoside 463.12328 5.682066667 46996 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C22H22O11 -0.450014945 L-2-Methyltryptophan 236.1394458 5.776783333 71373 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C12H14N2O2 0.424443188 Forasartan 417.2490887 5.810533333 85498 Organoheterocyclic compounds Pyridines and derivatives Phenylpyridines Unclassified Unclassified 37.2 0.0 M+H C23H28N8 -4.518220263 EUPARIN 199.0753092 5.910883333 43728 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H-H2O C13H12O3 -0.216763919 Valerylcarnitine 229.1671754 5.994866667 HMDB0013128 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.2 0.0 M+H-H2O C12H24NO4+ -0.282587534 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid 241.1068608 6.011633333 HMDB0061112 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 37.2 0.0 M+H C12H16O5 -0.788245287 C16 Sphinganine-1-phosphate 376.222664 6.0926 83703 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 37.2 0.0 M+Na C16H36NO5P 0.943863794 Mahanimbinol 351.2435822 6.107866667 95431 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 37.2 0.0 M+NH4 C23H27NO 1.477206911 Heptanoylcholine 255.15883 6.1705 HMDB0013239 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Unclassified Unclassified 37.2 0.0 M+K C12H26NO2+ -3.155436623 Mycosinol 232.0965781 6.366616667 66989 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C13H10O3 -1.128784472 Azelastine 382.1679499 6.465933333 HMDB0015107 Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Unclassified C07768 37.2 10.7 M+H C22H24ClN3O -0.305894173 Meradimate 293.2218924 6.59905 43246 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C17H25NO2 -1.67945589 Pterosin E 233.1169967 6.64695 91665 Benzenoids Indanes Indanones Unclassified Unclassified 37.2 0.0 M+H C14H16O3 -0.965570235 DL-threo-PDMP 408.3214746 6.742183333 64637 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C23H38N2O3 -1.521886179 Dynorphin A (6-8) 426.2956667 6.742183333 HMDB0012932 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M+H-H2O C18H37N9O4 4.746837333 Capsianoside IV 645.3485619 6.742183333 87162 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.2 0.0 M+H C32H52O13 0.766235751 1-O-(2R-hydroxy-nonadecyl)-sn-glycerol 413.3034055 6.818416667 LMGL01020065 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 37.2 0.0 M+K C22H46O4 1.703028657 Alpha-Trisaccharide 533.2572148 6.892733333 HMDB0006595 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.2 0.0 M+NH4 C20H37NO14 3.851639634 12-KETE 336.2528085 6.987866667 HMDB0013633 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C14807 37.2 0.0 M+NH4 C20H30O3 -1.608401053 DHEA ENANTHATE 401.3046109 7.0212 84949 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C26H40O3 -1.026040471 Docosahexaenoic Acid methyl ester 343.2627806 7.2034 44958 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C23H34O2 -1.099090948 carboprost 386.2895309 7.236083333 4035 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C21H36O5 -1.544725284 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate 436.2684587 7.30255 70776 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C24H34O6 -2.16533847 Androst-4-ene-3beta,17beta-diol diacetate 392.2789312 7.31915 70797 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C23H34O4 -1.613624839 (6S,9R)-Vomifoliol 242.1748084 7.452616667 65649 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C13H20O3 -1.167441047 17-Hydroxypregnenolone sulfate 430.225357 7.452616667 LMST05020021 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 37.2 0.0 M+NH4 C21H32O6S -1.039022098 PC(O-12:0/O-2:0) 454.3272628 7.485833333 40190 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C22H48NO6P -4.276338902 2-hydroxy-15Z-tetracosenoic acid 421.3069302 7.502433333 35582 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C24H46O3 -2.414736513 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe 609.3275588 7.7527 65475 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C33H44N4O7 -1.179252905 Amabiline 301.2117776 7.891566667 68206 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C15H25NO4 -1.434392346 Cibaric acid 325.2003714 8.0225 LMFA02000289 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Unclassified Unclassified 37.2 0.0 M+H-H2O, M+H C18H28O5 -1.556191776 Philanthotoxin 418.3158791 8.216633333 73527 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H-H2O C23H41N5O3 -4.072401852 Sideridiol 305.2470692 8.233266667 91734 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.2 0.0 M+H C20H32O2 -1.438089384 Ruscopine 345.1691147 8.233266667 67031 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C16H26N4O2 1.242572013 C-2 Ceramide 359.3262034 8.430766667 411 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C20H39NO3 -1.805613809 Arachidonoyl Ethanolamide-d8 378.3206643 8.4611 96527 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+Na C22H29D8NO2 -3.376543947 methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 397.2567685 8.491383333 74479 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.2 0.0 M+H C22H36O6 -4.282071567 Mitragynine 416.2459478 8.592716667 HMDB0041933 Alkaloids and derivatives Corynanthean-type alkaloids Unclassified Unclassified C09226 37.2 0.0 M+H, M+NH4 C23H30N2O4 -1.376462197 Gossyrubilone 361.2113599 8.719533333 89127 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.2 0.0 M+NH4 C20H25NO4 -2.400829629 Neuroprotectin D1 361.236967 8.719533333 LMFA04040001 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.2 0.0 M+H C22H32O4 -1.024093276 (+)-abscisic acid beta-D-glucopyranosyl ester 427.196 8.795416667 LMPR0103050011 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 37.2 0.0 M+H C21H30O9 -0.607657158 9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 349.2368827 8.8289 HMDB0040954 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.2 0.0 M+H-H2O, M+H C21H32O4 -1.177068509 2-trans,4-cis-Decadienoylcarnitine 329.2428595 9.081183333 HMDB0013325 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.2 0.0 M+NH4 C17H29NO4 -2.006454058 3b,15b,17a-Trihydroxy-pregnenone 366.2634666 9.081183333 HMDB0000353 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.2 0.0 M+NH4 C21H32O4 -1.201598428 (+)-9,10,18-trihydroxy-12Z-octadecenoic acid 353.229934 9.22305 35686 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+Na C18H34O5 0.269926937 Saponin E 797.466946 9.301716667 91144 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.2 0.0 M+H C42H68O14 -1.553451414 2-dehydroecdysone 480.3309927 9.399733333 57625 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 37.2 0.0 M+NH4 C27H42O6 -2.102267868 Ethosuximide M6, 2-(1-Hydroxyethyl)-2-methylsuccinimide 175.1076837 9.449533333 2601 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C7H11NO3 -0.222912021 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate 232.0821323 9.449533333 63524 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+NH4 C9H10O6 2.657193699 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid 250.1434902 9.499116667 HMDB0135874 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.2 0.0 M+NH4 C14H16O3 -1.204978005 Oleoyl-EA(d2) 366.2745854 9.499116667 46568 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+K C20H37D2NO2 2.426941094 AMP-Deoxynojirimycin 398.2897166 9.5153 45251 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H C22H39NO5 -0.964420917 11(R)-HEDE 307.2626741 9.764683333 36083 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+H-H2O, M+H C20H36O3 -1.488429933 delta8-11-NeuroF 417.2243167 9.8359 LMFA04020003 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 37.2 0.0 M+Na C22H34O6 -1.123164582 Theaspirane 177.1635943 0.00225 91837 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C13H22O -0.941089749 Thiarubrine A 211.003364 0.538583333 66994 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C13H8S2 -0.394751364 (5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid 327.0512313 0.6217 HMDB0125817 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 37.1 0.0 M+Na, M+K C12H16O7S 1.107644315 Carbetamide 254.1497076 0.67715 68818 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C12H16N2O3 -0.890701693 3-Ketosucrose 358.1343874 0.718683333 63199 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C12H20O11 0.001357514 N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine 349.1349325 0.73255 HMDB0032766 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.1 0.0 M+H C12H20N4O8 -1.314395913 Clavamycin C 363.1501218 0.7879 71637 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C13H22N4O8 -2.535666177 N-Benzoyl-4-hydroxyanthranilate 240.0653292 0.956916667 66137 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C14H11NO4 -0.740422225 9-hydroxyoctadecanoic acid 283.2629714 0.956916667 HMDB0061661 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.1 0.0 M+H-H2O C18H36O3 -0.617282783 Carbidopa-levodopa 446.1515164 1.0006 66560 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C19H25N3O8 -4.416754739 Glucopyranosylmoranoline 308.1339953 1.01445 HMDB0059718 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.1 0.0 M+H-H2O C12H23NO9 0.006840249 2,4,5-trihydroxy-3-methoxybenzoic acid 223.0204367 1.042183333 HMDB0125598 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 37.1 0.0 M+Na C8H8O6 -4.359213595 Mesuaxanthone B 227.0338464 1.056116667 68117 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C13H8O5 -0.158540539 6-Methoxy-[2'',3'':7,8]furanoflavanone 277.0852741 1.098383333 LMPK12140082 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C18H14O4 -2.19859401 b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose 446.1876583 1.1264 HMDB0041221 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.1 0.0 M+NH4 C16H28O13 1.96609796 SQ 26180 239.0336862 1.16885 71381 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C6H10N2O6S 1.901811713 S-methylazathioprine 310.0951958 1.363833333 HMDB0061068 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 37.1 0.0 M+NH4 C10H10N7O2S+ -1.021434631 Prenyl arabinosyl-(1->6)-glucoside 398.2030997 1.683466667 HMDB0041360 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.1 0.0 M+NH4 C16H28O10 2.701615474 (R)-S-lactoylglutathionate(1-) 362.101361 1.850866667 HMDB0062624 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.1 0.0 M+H-H2O C13H21N3O8S -0.755571884 Kammogenin 427.2837291 10.02021667 84197 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 37.1 0.0 M+H-H2O C27H40O5 -1.253860957 Theasapogenol A 529.3495625 10.22548333 HMDB0034519 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.1 0.0 M+Na C30H50O6 -0.784945295 13'-Carboxy-alpha-tocotrienol 455.3150366 10.39106667 HMDB0012556 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 37.1 0.0 M+H C29H42O4 -1.209920141 Homodolicholide 510.3783239 10.43841667 89609 Organoheterocyclic compounds Benzopyrans 1-benzopyrans 1 Unclassified 37.1 0.0 M+NH4 C29H48O6 -1.200183546 11-methoxy-12,13-epoxy-9-octadecenoic acid 344.2791043 10.45468333 LMFA01080007 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.1 0.0 M+NH4 C19H34O4 -1.320590107 Pregnenolone acetate 359.2576848 10.62896667 70240 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C23H34O3 -1.07920005 Bicyclomahanimbicine 349.2276208 10.6612 HMDB0030221 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 37.1 0.0 M+NH4 C23H25NO 0.545919738 Persicachrome 402.2997968 10.6921 HMDB0036425 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.1 0.0 M+NH4 C25H36O3 -1.232923019 Serylleucine 236.1586784 10.80675 HMDB0029043 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 37.1 0.0 M+NH4 C9H18N2O4 -8.271527609 2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone 459.3463234 11.0171 HMDB0035995 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.1 0.0 M+H-H2O, M+H C29H46O4 -0.976453285 alpha-Irone 189.1636097 11.10941667 HMDB0035631 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09690 37.1 0.0 M+H-H2O C14H22O -0.811623872 13E-octadecene-9,11-diynoic acid 275.2002266 11.10941667 35210 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C18H26O2 -1.203328642 Carbocyclic Thromboxane A2 349.2732632 11.28201667 45632 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C22H36O3 -1.315899492 (all-Z)-7,10,13-Docosatrienoic acid 352.3205475 11.51946667 87407 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.1 0.0 M+NH4 C22H38O2 -1.371644834 AL 8810 methyl ester 439.2259528 11.69568333 45019 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C25H33FO4 1.067570505 MG(18:3(9Z,12Z,15Z)/0:0/0:0) 353.2681983 11.95813333 HMDB0011570 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 37.1 0.0 M+H C21H36O4 -1.242599516 O-(2-tetradecenoyl)carnitine 370.2947301 12.47856667 HMDB0062588 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives 1 Unclassified 37.1 0.0 M+H C21H39NO4 -1.232321731 12(13)-EpOME 314.2686262 13.13441667 LMFA02000038 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C14826 37.1 0.0 M+NH4 C18H32O3 -1.162119396 13-Heptadecyn-1-ol 270.2788238 13.72693333 HMDB0013813 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.1 0.0 M+NH4 C17H32O -1.258089305 Artemoin A 568.5294076 14.19258333 HMDB0033604 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.1 0.0 M+NH4 C35H66O4 -0.960023305 2-BENZOYL-5-METHOXYBENZOQUINONE 225.0544884 2.224183333 44628 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C14H10O4 -0.546067426 4-Hydroxyaminoquinoline N-oxide 159.0546447 2.6036 66103 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C9H8N2O2 -3.661096591 (S)-beta-Methylindolepyruvate 235.1075119 2.6036 66077 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C12H11NO3 -0.953076682 Gamma-glutamyl-Glutamine 257.1239929 2.94865 86039 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C10H18N4O5 -1.599931341 L-Thyronine 291.1336814 3.169383333 5637 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.1 0.0 M+NH4 C15H15NO4 -0.923130693 Acotiamide 433.192612 3.338 69819 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C21H30N4O5S 4.907248031 N-Phenyl-1-naphthylamine 202.1009852 3.950466667 70034 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C16H13N -2.400611244 Pergolide sulfone 329.1674628 4.459283333 1789 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C19H26N2O2S -2.161016052 Normorphine 6-glucuronide 470.1420958 4.571483333 1361 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C22H25NO9 -0.125761112 Kanzonol E 406.2008357 4.604216667 LMPK12110034 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.1 5.67 M+NH4 C25H24O4 -1.156791155 Cimetidine 291.0797448 4.619866667 HMDB0014644 Organoheterocyclic compounds Azoles Imidazoles Unclassified C06952 37.1 0.0 M+K C10H16N6S 3.455524571 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside 509.1781627 4.619866667 51836 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C26H30O9 -0.083385655 Catechin-4-ol 3-O-alpha-L-rhamnopyranoside 475.1204431 4.682216667 LMPK12020201 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C21H24O11 -1.413690289 Tetrahydroaldosterone-3-glucuronide 541.2617873 4.7151 61672 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 37.1 0.0 M+H C27H40O11 -4.722219087 Lasiocarpine 434.2142307 4.731233333 68261 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C21H33NO7 -1.683675194 16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester 655.3335704 4.731233333 45607 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C37H48N2O7 -2.84995527 Melampodin A 443.1310245 4.8098 67753 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C21H24O9 -0.544039692 Talbutal 270.1811999 4.841016667 HMDB0014451 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 37.1 0.0 M+NH4 C13H20N2O3 -0.071838217 Hydroxyflunarizine 403.1974939 4.885333333 2733 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C26H26F2N2O -1.27975055 TELMISARTAN 515.2460619 4.9001 44651 Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Unclassified C07710 37.1 0.0 M+H C33H30N4O2 3.712795533 Mukonal 229.0972352 4.916283333 HMDB0030216 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 37.1 0.0 M+NH4 C13H9NO2 0.384295162 Elaeocarpidine 306.1374208 4.999783333 68411 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+K C17H21N3 2.676463153 2-Benzimidazolinone, 1-(4-piperidyl)- 235.1547735 5.1277 1939 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C12H15N3O -2.598294565 Glutathione episulfonium ion 352.1420565 5.1277 HMDB0060479 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C14874 37.1 0.0 M+NH4 C12H20N3O6S+ 2.842258743 Latifoline 411.2124127 5.1277 68262 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C20H27NO7 -0.419796556 Rishitinone 237.1848104 5.1774 HMDB0035147 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.1 0.0 M+H C15H24O2 -0.40678716 Cortolone-3-glucuronide 565.2616441 5.2563 61643 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 37.1 0.0 M+Na C27H42O11 -0.532535255 ANHYDROBRAZILIC ACID 252.086412 5.288616667 43627 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C12H10O5 -1.012529023 b-D-Glucopyranosiduronic acid, (3b,5a)-17-oxoestran-3-yl 453.24719 5.319616667 1443 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C24H36O8 -2.442442162 A 80987 654.3279395 5.319616667 71004 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C37H43N5O6 -1.027076435 Taurocyamine 168.0444132 5.41175 HMDB0003584 Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives 2 C01959 37.1 0.0 M+H C3H9N3O3S 4.038382857 Isoorientin 6''-O-alpha-L-arabinoside 567.1343211 5.4597 LMPK12110483 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.1 0.0 M+H C25H26O15 -0.221556344 Cinitapride 425.2151432 5.474733333 HMDB0015698 Benzenoids Benzene and substituted derivatives Nitrobenzenes Unclassified Unclassified 37.1 0.0 M+Na C21H30N4O4 -1.946541415 CDP-DG(a-13:0/i-16:0) 894.4660416 5.490783333 HMDB0116072 Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols Unclassified Unclassified 37.1 0.0 M+H-H2O C41H75N3O15P2 2.180919264 PGE2-EA 413.3008013 5.521966667 3827 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 37.1 0.0 M+NH4 C22H37NO5 -0.499728822 Dihydrocumambrin A 347.126616 5.569416667 91613 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.1 0.0 M+K C17H24O5 3.51783162 E-64d 360.2484852 5.6028 64821 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C17H30N2O5 -2.373824158 Suprofen S-oxide 299.0349691 5.619533333 HMDB0060924 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.1 0.0 M+Na C14H12O4S 0.429303718 SUXIBUZONE 456.2121604 5.66695 43488 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Unclassified Unclassified 37.1 0.0 M+NH4 C24H26N2O6 -1.715474978 Thien-2-ylacetonitrile 146.0038124 5.697833333 65953 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C6H5NS 2.614229933 Pelargonidin 3-[6-((Z)-p-coumaroyl)glucoside]-5-glucoside 741.2016502 5.713466667 46854 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C36H36O17 -1.18332035 Acetyl vitamin K5 233.1283597 5.745083333 HMDB0032888 Benzenoids Naphthalenes Naphthols and derivatives Unclassified Unclassified 37.1 0.0 M+NH4 C13H13NO2 -0.439485839 Domoic acid 329.1704053 5.745083333 69666 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 C13732 37.1 0.0 M+NH4 C15H21NO6 -0.988634204 Oplophorus luciferin 446.1476585 5.877366667 70531 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C26H21N3O3 0.345609563 Talatizamine 439.3163934 5.944716667 67147 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C24H39NO5 -0.606555694 Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] 609.1445921 5.944716667 50485 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.1 0.0 M+H, M+NH4 C27H28O16 -0.689170659 4-Hydroxybenzyl isothiocyanate rhamnoside 329.1163162 5.961266667 HMDB0032801 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.1 0.0 M+NH4 C14H17NO5S -0.813164746 3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide 387.157836 6.0926 88807 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.1 0.0 M+K C20H28O5 2.883289982 5beta-Dihydrotestosterone 273.2209401 6.138516667 LMST02020069 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05293 37.1 0.0 M+H-H2O C19H30O2 -1.212220599 8'-Hydroxyabscisate 281.1379069 6.18665 64115 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C15H20O5 -1.582438974 3-Hydroxyibuprofen 223.1327114 6.282966667 HMDB0060921 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.1 0.0 M+H C13H18O3 -0.717702018 Feniculin 220.1695317 6.383283333 HMDB0030838 Benzenoids Phenol ethers Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C14H18O -0.292091335 Acrivastine 387.1466914 6.399633333 HMDB0240231 Benzenoids Benzene and substituted derivatives Styrenes Unclassified Unclassified 37.1 0.0 M+K C22H24N2O2 -0.702806755 Primidone 219.1126167 6.416 2083 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07371 37.1 0.0 M+H C12H14N2O2 -0.859264523 Anacyclic acid 217.1221567 6.48265 LMFA01031031 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.1 0.0 M+H C14H16O2 -0.691466195 2-keto tridecanoic acid 229.1796627 6.48265 LMFA01060041 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.1 0.0 M+H C13H24O3 -0.694071931 8-Acetoxy-4-acoren-3-one 279.1952497 6.48265 87324 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.1 0.0 M+H C17H26O3 -0.795897819 (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid 549.3202154 6.49935 90683 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.1 0.0 M+Na C32H46O6 2.95547361 tetranor-PGDM lactone 311.1484777 6.6307 96507 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C16H22O6 -1.409672851 (+/-)-6-Hydroxy-3-oxo-alpha-ionol 242.174852 6.663433333 66125 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C13H20O3 -0.972513613 Perilloside C 299.1848498 6.75725 95049 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.1 0.0 M+H-H2O C16H28O6 -1.425074374 19-Hydroxytabersonine 370.2122551 6.971566667 64316 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C21H24N2O3 -0.746851165 Gibberellin A112 349.2004521 7.25285 88116 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.1 0.0 M+H-H2O, M+H C20H28O5 -0.931461405 12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid 342.2270388 7.285966667 74764 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 37.1 0.0 M+NH4 C18H28O5 -1.421271221 21-Hydroxy-5b-pregnane-3,11,20-trione 347.2215424 7.285966667 57883 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05477 37.1 0.0 M+H C21H30O4 -0.414350395 Linalyl isovalerate 277.1563918 7.31915 HMDB0030428 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.1 0.0 M+K C15H26O2 -0.194792979 delta3,5-Deoxytigogenin 419.2902016 7.352033333 89768 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.1 0.0 M+Na C27H40O2 -4.667094204 7-methoxy-hexadec-(4E,8E)-dienoic acid 300.2532587 7.419333333 LMFA01080032 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.1 0.0 M+NH4 C17H30O3 -0.21832439 2-Methoxyestradiol-17beta 3-sulfate 400.1782639 7.485833333 LMST05020007 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates 2 C08359 37.1 0.0 M+NH4 C19H26O6S -1.494613426 7,8 Dihydrokawain 250.143538 7.7527 85151 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C14H16O3 -0.999002033 delta12-7-NeuroF 412.2690003 7.82765 LMFA04020004 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 37.1 0.0 M+H, M+Na, M+NH4 C22H34O6 -2.845795076 11,12-Dimethylrosmanol 392.2442958 8.087166667 95016 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.1 0.0 M+NH4 C22H30O5 3.063094493 4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl 4-methylbenzenesulfonate 305.0950417 8.103666667 96300 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C15H16N2O3S -1.309208581 3-[(4-Carboxy-4-methylpentyl)oxy]-4-methylbenzoic acid (Gemfibrozil M3) 263.1275007 8.119833333 3027 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O, M+H C15H20O5 -1.016660099 Isoflupredone acetate 438.2302635 8.136066667 43219 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C23H29FO6 3.85799197 Etiocholanedione 289.2158781 8.249916667 HMDB0003769 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C03772 37.1 0.0 M+H C19H28O2 -1.13964203 Valeracetate 281.2108221 8.298783333 HMDB0041388 Organoheterocyclic compounds Oxepanes Unclassified Unclassified Unclassified 37.1 0.0 M+H C17H28O3 -1.067506507 all-trans-18-Hydroxyretinoic acid 299.2000822 8.298783333 63912 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C16679 37.1 0.0 M+H-H2O C20H28O3 -1.499966745 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate 401.2680234 8.364 70748 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O C25H38O5 -1.464718257 Dihydropicromycin 510.3421383 8.430766667 71086 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H-H2O, M+NH4 C28H49NO8 -0.741368626 1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine 836.5542515 8.535433333 46695 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C48H80NO7P -2.716087666 Enokipodin B 264.1592201 8.608466667 91105 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.1 0.0 M+NH4 C15H18O3 -0.812027625 CAY10554 261.1055773 8.87645 45242 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+H C14H16N2OS -0.12808267 PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 544.2675682 8.891216667 LMGP03050027 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.1 0.0 M+H C26H42NO9P 1.055048762 12(S)-HETrE 323.2577386 8.9475 HMDB0062747 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.1 0.0 M+H C20H34O3 -1.032722388 3-(2-Methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 335.1848202 9.04885 HMDB0032700 Benzenoids Phenol esters Unclassified Unclassified Unclassified 37.1 0.0 M+H C19H26O5 -1.43674679 5,8,11-eicosatrienoic acid 307.2626979 9.065033333 34827 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.1 0.0 M+H C20H34O2 -1.498402991 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate 473.325629 9.25525 HMDB0062207 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.1 0.0 M+Na C27H46O5 4.182988976 1-(4-Hydroxyphenyl)-1-decene-3,5-dione 278.1750738 9.350316667 64191 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C16H20O3 0.014318576 Ganoderic acid I 533.3121094 9.3831 HMDB0035310 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.1 0.0 M+H C30H44O8 2.281808731 MG(i-12:0/0:0/0:0) 257.2107779 9.43295 HMDB0072860 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.1 0.0 M+H-H2O C15H30O4 -1.251793723 F4-Neuroprostane (4-series) 396.2739863 9.466166667 69716 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+NH4 C22H34O5 -1.225322005 Allodeoxycholic acid 410.3259004 9.548733333 LMST04010044 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.1 0.0 M+NH4 C24H40O4 -1.491065856 Boviquinone 4 430.2942956 9.548733333 HMDB0030057 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.1 0.0 M+NH4 C26H36O4 -2.157763169 Ochrolifuanine A 477.2412304 9.614566667 67536 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+K C29H34N4 -0.626885953 MG(0:0/i-12:0/0:0) 257.2107808 9.722166667 HMDB0072858 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 37.1 0.0 M+H-H2O C15H30O4 -1.241214825 (9Z,12Z)-3-hydroxyhexadecadienoylcarnitine 412.3053175 9.722166667 LMFA07070026 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Unclassified Unclassified 37.1 0.0 M+H C23H41NO5 -1.051122204 23-trans-p-Coumaroyloxytormentic acid 689.3458449 9.880183333 95157 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.1 0.0 M+K C39H54O8 1.257871298 6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol 531.365216 9.960066667 LMST01031065 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+Na C30H52O6 -0.77519894 4-Butyl-5-ethylthiazole 187.1262079 0.00225 94606 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 37.0 0.0 M+NH4 C9H15NS -0.816934786 2-tetradecenoic acid 227.2002905 0.00225 LMFA01030047 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.0 0.0 M+H C14H26O2 -1.176090406 3-oxo-tridecanoic acid 229.1796346 0.00225 74735 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.0 0.0 M+H C13H24O3 -0.817267227 2-hydroxy-iminostilbene 227.1136563 0.635583333 LMPK13090031 Lipids and lipid-like molecules Polyketides Aromatic polyketides 2 C16604 37.0 0.0 M+H-H2O, M+NH4 C14H11NO -4.367849728 Dinotefuran 241.0687608 0.635583333 72315 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+K C7H14N4O3 -4.886672897 Fortimicin FU-10 323.1445603 0.67715 71967 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H-H2O C12H24N2O9 -0.9754832 Axisothiocyanate 3 302.1345103 0.690983333 71497 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+K C16H25NS 2.209213419 N-acetyl-O-acetylneuraminate 369.1499518 0.704816667 HMDB0060492 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.0 0.0 M+NH4 C13H21NO10 -1.195136852 Nizatidine 314.1091045 0.73255 1586 Organoheterocyclic compounds Azoles Thiazoles Unclassified C07270 37.0 0.0 M+H-H2O C12H21N5O2S2 -3.84809931 Tyrosyl-Valine 298.1758492 0.7879 86010 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.0 0.0 M+NH4 C14H20N2O4 -1.011809466 6-(alpha-D-Glucosaminyl)-1D-myo-inositol 324.1289441 0.7879 HMDB0011668 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C15658 37.0 0.0 M+H-H2O C12H23NO10 0.106851036 2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid 270.9884389 0.9714 HMDB0125151 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.0 0.0 M+Na C8H8O7S 0.583237708 4-methoxyphenylethanol sulfate 266.0692799 0.986166667 86107 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C9H12O6S-2 -0.018940603 Ethambutol aldehyde 223.1423219 1.0006 2588 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+Na C10H20N2O2 3.11412994 N-(4-amino-3-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid 281.1491938 1.028333333 HMDB0139610 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.0 0.0 M+H C14H20N2O4 -1.391172478 Galipine 306.1481094 1.028333333 68491 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H-H2O C20H21NO3 -2.308107975 Proacaciberin 409.1819828 1.140533333 66916 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C16H25NO10 0.795888251 diflorasone diacetate 512.2449366 1.140533333 3983 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids Unclassified Unclassified 37.0 0.0 M+NH4 C26H32F2O7 -1.00905811 Pyriculol 266.1386672 1.394083333 71342 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C14H16O4 -0.069743094 Hexyl salicylic acid 240.1592556 1.500583333 HMDB0061943 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.0 0.0 M+NH4 C13H18O3 -0.739751865 Carboxy-ibuprofen 254.1384624 1.8003 HMDB0060564 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C13H16O4 -0.940758229 Norcodeine 324.1007184 1.8003 HMDB0060657 Alkaloids and derivatives Morphinans Unclassified 2 C16576 37.0 0.0 M+K C17H19NO3 3.741455918 (S1)-Methoxy-3-heptanethiol 163.1150562 1.884433333 88407 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 37.0 0.0 M+H C8H18OS -0.347979644 N-(3S-hydroxydecanoyl)-L-serine 276.1804408 1.900533333 45741 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C13H25NO5 -0.394406644 Gualenate (Sodium Gualenate) 296.1312341 10.16061667 2458 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C15H18O3S -0.923484728 Ganolucidic acid E 502.3521734 10.16061667 HMDB0037607 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.0 0.0 M+NH4 C30H44O5 -1.087466564 LysoPC(18:4(6Z,9Z,12Z,15Z)) 533.3326964 10.17686667 HMDB0010389 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1 Unclassified 37.0 0.0 M+NH4 C26H46NO7P -4.499458525 PE(DiMe(11,3)/DiMe(9,3)) 834.470494 10.22548333 HMDB0061474 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 37.0 0.0 M+K C43H74NO10P 2.893409501 Pelargonidin 3-(6''-caffeylglucoside) 595.1438671 10.24085 46799 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H, M+NH4, M+H-H2O C30H26O13 -1.262710934 Avocadene 2-acetate 346.2947609 10.31675 LMFA05000641 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.0 0.0 M+NH4 C19H36O4 -1.292554935 Gentian Violet 394.2260738 10.31675 4055 Benzenoids Benzene and substituted derivatives Diphenylmethanes Unclassified Unclassified 37.0 0.0 M+Na, M+K C25H29N3 1.899659176 Pregna-1,4-diene-3,11-dione, 17a,20b,21-trihydroxy-6a-methyl- 375.2162223 10.39106667 1237 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C22H30O5 -1.010748793 Spirotaccagenin 464.3364647 10.40653333 HMDB0034424 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.0 0.0 M+NH4 C27H42O5 -1.311424661 Tetrahydrocannabinol 315.2314344 10.56758333 HMDB0014613 Organoheterocyclic compounds Benzopyrans 1-benzopyrans 2 C06972 37.0 0.0 M+H C21H30O2 -1.343834963 N-myristoyl lysine 339.3000634 10.873 LMFA08020264 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.0 0.0 M+H-H2O C20H40N2O3 -1.51964054 2-Phenylethyl 2-methylbutanoate 207.1377106 11.10941667 92543 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.0 0.0 M+H C13H18O2 -1.191618309 Delta-12-Prostaglandin J2 352.2475631 11.18393333 HMDB0004238 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05958 37.0 0.0 M+NH4 C20H30O4 -2.010149336 N-3-oxo-tetradecanoyl-L-Homoserine lactone 343.2586227 11.39205 64792 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C18H31NO4 -1.572056237 Incensole oxide 340.284192 11.55166667 265079 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C20H34O3 -1.329616142 N-Despyridinyl rosiglitazone 281.0964091 11.69568333 HMDB0060842 Benzenoids Phenol ethers Unclassified Unclassified Unclassified 37.0 0.0 M+H C13H16N2O3S 3.46053577 Arachidoyl glycine 370.3311172 11.83171667 62991 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C22H43NO3 -1.227830474 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one 366.2998275 11.90978333 70421 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C22H36O3 -1.272057348 1-(2-methoxy-tetracosanyl)-sn-glycero-3-phosphoserine 664.3930488 13.80348333 LMGP03060023 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.0 0.0 M+K C31H64NO9P -3.163544668 (R)-Roscovitine 393.1795323 2.4711 45186 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+K C19H26N6O -1.228888752 Pergolide sulfoxide 369.140127 2.5869 1788 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+K C19H26N2OS 1.16446167 N10-Formyltetrahydrofolic acid 491.1982066 3.220116667 715 Organoheterocyclic compounds Dithiolanes Lipoamides 2 C00234 37.0 0.0 M+NH4 C20H23N7O7 -3.202007041 p-Hydroxynorpropoxyphene 364.1890865 3.354933333 2163 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+Na C21H27NO3 2.262961675 4-Hydroxyazobenzene 221.0682414 3.814483333 73133 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+Na C12H10N2O -1.475271725 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate 171.0651207 3.8656 66502 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C8H10O4 -0.379457498 2-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one 240.1591971 4.196733333 HMDB0132946 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 37.0 0.0 M+NH4 C13H18O3 -1.003525858 Polysorbate 60 435.2963244 4.294566667 92151 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Unclassified Unclassified 37.0 0.0 M+H C22H42O8 2.486053505 Leukotriene C4 methyl ester 678.28368 4.376416667 45048 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+K C31H49N3O9S 2.456878577 Laudanine 366.1659791 4.4433 64378 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+Na C20H25NO4 -4.661942985 PR-toxin 343.1148677 4.491716667 64094 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+Na C17H20O6 -1.066314905 Riddelline 367.1863448 4.55555 68288 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C18H23NO6 -0.052033009 2E,8E-Undecadiene-4,6-diynoic acid 192.1019177 4.604216667 74341 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4, M+Na C11H10O2 0.072232511 Dihydrowyerone acid 264.1230268 4.619866667 HMDB0039493 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.0 0.0 M+NH4 C14H14O4 -0.031116051 Convoline 325.1755556 4.6987 68633 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C16H21NO5 -0.790275893 CDP-DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 1038.460135 4.7151 HMDB0115953 Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols Unclassified Unclassified 37.0 0.0 M+K C48H79N3O15P2 -1.666106025 HC Toxin 454.2660555 4.966716667 64768 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C21H32N4O6 0.103606783 PA(6:0/6:0) 351.1550452 5.031616667 LMGP10010020 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 37.0 0.0 M+H-H2O C15H29O8P -4.538999176 CAY10626 625.2856455 5.031616667 64842 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C31H35F3N8O3 -0.084228813 KHAYASIN 572.3219977 5.1277 43805 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C32H42O8 0.367881017 Istamycin C1 432.280302 5.207283333 71992 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C19H37N5O6 -3.149533267 PC(O-9:0/O-1:0)[U] 415.2911954 5.364233333 40258 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C18H40NO6P -4.920647955 2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate 276.2168977 5.474733333 HMDB0059946 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.0 0.0 M+NH4 C14H26O4 -0.143784347 Allyl undecylenate 207.1743054 5.66695 LMFA07010780 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.0 0.0 M+H-H2O C14H24O2 -0.162171695 Phytosphingosine-1-P 415.2913971 5.66695 62910 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids 1 Unclassified 37.0 0.0 M+NH4 C18H40NO6P -4.412816349 5-Hydroxysulfadiazine 284.0805657 5.682066667 2441 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C10H10N4O3S -2.33438017 Sphingofungin A 470.2607678 5.713466667 53961 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 37.0 0.0 M+K C21H41N3O6 -4.466270875 PGP(a-13:0/a-17:0) 757.4444997 5.713466667 HMDB0116515 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates 1 Unclassified 37.0 0.0 M+H-H2O C36H72O13P2 3.838044571 4-Amino-2-methyl-1-naphthol 212.0467469 5.7291 88799 Benzenoids Naphthalenes Naphthols and derivatives Unclassified Unclassified 37.0 0.0 M+K C11H11NO -2.744978045 Pyridine-2-azo-p-dimethylaniline 249.1114229 5.7291 96366 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+Na C13H14N4 1.573275456 N6-cis-p-Coumaroylserotonin 323.1393869 5.76095 93060 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Unclassified Unclassified 37.0 0.0 M+H C19H18N2O3 1.142398266 Pregnanalone sulfate (Allopregnanolone sulfate) 437.1772291 5.82695 3560 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+K C21H34O5S 3.455111466 4,4'-Dihydroxybenzophenone 232.0966359 5.910883333 69887 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C13H10O3 -0.858875497 N-acetylsphingosine 1-phosphate 444.2476771 5.910883333 53980 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+Na C20H40NO6P -2.061099612 Fabianine 220.169329 5.944716667 68036 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C14H21NO -1.194243922 SB 939 376.2690305 6.011633333 96423 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C20H30N4O2 -4.665087639 PC(14:1(9Z)/0:0) 466.2909378 6.123116667 40280 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 37.0 0.0 M+H C22H44NO7P -4.036189847 7-Epiloganin tetraacetate 576.2289876 6.2338 LMPR0102070029 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified C11662 37.0 0.0 M+NH4 C25H34O14 0.54868998 16b-Hydroxystanozolol 362.2795668 6.29965 HMDB0003166 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 Unclassified 37.0 0.0 M+NH4 C21H32N2O2 -1.850310993 4-[(4E)-3-hydroxydec-4-en-1-yl]-2-methoxyphenol 279.1952688 6.34955 HMDB0137260 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.0 0.0 M+H C17H26O3 -0.727213841 2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid 233.1170182 6.366616667 HMDB0133182 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.0 0.0 M+H-H2O C14H18O4 -0.810158618 17a-Hydroxyprogesterone 331.2263287 6.399633333 3777 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 2 C01176 37.0 0.0 M+H C21H30O3 -1.340259631 7-hydroxy-10E,16-heptadecadien-8-ynoic acid 296.2222349 6.416 LMFA01050258 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.0 0.0 M+NH4 C17H26O3 0.771769735 2',3',4',6'-Tetramethoxychalcone 367.0953426 6.53305 LMPK12120341 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+K C19H20O5 3.385191918 Prostaglandin E2 methyl ester 367.2476882 6.695866667 45602 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C21H34O5 -0.579954169 delta11-14-NeuroF 412.2689255 6.772616667 LMFA04020005 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 37.0 0.0 M+NH4 C22H34O6 -1.1131474 Retinyl glucuronide 485.2507923 6.788383333 2273 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+Na C26H38O7 -0.393526704 Methyl neopentyl phthalic acid 268.1541595 6.818416667 HMDB0094669 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.0 0.0 M+NH4 C14H18O4 -0.700100956 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol 294.2067384 6.832883333 66272 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C17H27NO3 1.255887994 10-hydroxy-hexadecan-1,16-dioic acid 325.2003106 6.9078 LMFA01170058 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.0 0.0 M+H-H2O, M+Na C16H30O5 -0.899376023 Salutaridine 345.1804599 7.0212 64360 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C19H21NO4 -1.295265185 Santalyl acetate 263.2002831 7.087216667 HMDB0032501 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.0 0.0 M+H C17H26O2 -1.042853764 12beta-hydroxy-24-norcholesta-1,4,22E-trien-3-one 383.293947 7.103816667 LMST01010311 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H C26H38O2 -1.3337348 Isoamberboin 247.1325889 7.186683333 HMDB0034719 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.0 0.0 M+H-H2O C15H20O4 -1.067340809 clathsterol disulfonic acid 856.4201007 7.2199 LMST01040253 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 37.0 4.18 M+NH4 C39H66O15S2 2.339872562 Ajaconine 377.27894 7.46925 67091 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C22H33NO3 -2.587257648 Annuionone C 242.1747744 7.618366667 HMDB0032689 Organoheterocyclic compounds Oxepanes Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C13H20O3 -1.318769504 PC(P-14:0/0:0) 452.3115824 7.618366667 LMGP01070002 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 37.0 0.0 M+H C22H46NO6P -4.362567179 Citronellyl pentanoate 241.2158813 7.634533333 HMDB0037229 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.0 0.0 M+H C15H28O2 -1.354040442 Prednisolone 21-all-cis-farnesylate 561.3560762 7.7527 69595 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H-H2O C36H50O6 -2.377179157 2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam 349.2478024 7.8755 93259 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.0 0.0 M+NH4 C20H29NO3 -2.315339142 Triacontanedioic acid 521.3944709 8.266283333 35993 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+K C30H58O4 -4.554990418 Panaxatriol 499.3735934 8.34725 HMDB0038244 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 37.0 0.0 M+Na C30H52O4 -4.591803834 4-oxo-Retinoic acid 332.2214734 8.506066667 HMDB0006285 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C16678 37.0 0.0 M+NH4 C20H26O3 -1.740304027 U-44069 368.2795153 8.672883333 45678 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+NH4 C21H34O4 -0.056542448 11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-27-nor-9,11-seco-5alpha-cholesta-7,22E-dien-9-one. 457.330766 8.704616667 84052 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H-H2O, M+H C29H46O5 -0.991619152 9,10-Dihydroxy-12,13-epoxyoctadecanoate 331.2473064 8.719533333 70342 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+H, M+NH4, M+Na C18H34O5 -1.799385373 (15alpha,20R)-15,20-Dihydroxypregn-4-en-3-one 350.2684806 8.845266667 HMDB0033918 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.0 0.0 M+NH4 C21H32O3 -1.474308976 19-Oxo-deoxycorticosterone 345.2055779 9.097216667 HMDB0012614 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 37.0 0.0 M+H C21H28O4 -1.330277816 Calenduloside A 781.4719633 9.270916667 89047 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.0 0.0 M+H C42H68O13 -1.672520581 14-Hydroxy-E4-neuroprostane 377.231661 9.482766667 HMDB0012580 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.0 0.0 M+H C22H32O5 -1.567045326 2-Hexenyl octanoate 209.1898052 0.00225 88362 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.9 0.0 M+H-H2O C14H26O2 -0.824891969 Thermospermine 241.1795087 0.304933333 73283 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+K C10H26N4 2.985644591 Hydroquinine, 10,11-dihydroxy- 397.154012 0.64945 2233 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+K C20H26N2O4 4.457423707 IDFP 333.1761205 0.663316667 45402 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+K C15H32FO2P 1.928207993 3'-Hydroxyminoxidil 208.118162 0.67715 1318 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H-H2O C9H15N5O2 -4.994849894 Galactinol dihydrate 379.1450903 0.73255 62462 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H C12H26O13 1.250746397 Crinasiadine 222.0541212 0.7464 68404 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H-H2O C14H9NO3 -3.487258768 Glycyl-Threonine 177.08694 0.80175 85760 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.9 0.0 M+H C6H12N2O4 -0.245775675 Ethyl (E)-2-dodecenoate 227.2003712 0.91435 87360 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.9 0.0 M+H C14H26O2 -0.819412252 Vanillin 4-sulfate 264.0535641 1.098383333 96141 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.9 0.0 M+NH4 C9H10O6S -0.286573383 Gravolenic acid 298.1284292 1.098383333 HMDB0033884 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.9 0.0 M+NH4 C14H16O6 -0.301820417 Artemidiol 252.122669 1.112483333 87116 Phenylpropanoids and polyketides Isocoumarins and derivatives Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C13H14O4 -1.561351787 3-O-Acetylhamayne 352.1168954 1.46935 69335 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+Na C18H19NO5 4.107902673 4-hydroxy Nonenal Mercapturic Acid-d3 340.1973305 1.616233333 96541 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C14H22D3NO5S -2.077251921 2-ISOPROPYL-3-METHOXYCINNAMIC ACID 238.1434642 1.632833333 43708 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C13H16O3 -1.389083023 4-Hydroxyriluzole 272.9928362 1.716933333 2323 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+Na C8H5F3N2O2S 4.929850053 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone 418.2944761 10.12943333 70756 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C25H36O4 -1.771534294 Murrayenol 471.3465281 10.12943333 HMDB0029345 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 Unclassified 36.9 0.0 M+H C30H46O4 -0.761717179 Methyl 15-cyanopentadecanoate 299.2690258 10.19313333 88714 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.9 0.0 M+NH4 C17H31NO2 -0.992052998 O-Methylandrocymbine 368.185048 10.37563333 64398 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H-H2O C22H27NO5 -1.523279991 (3beta,5alpha,9alpha,22E,24R)-5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one 443.3149351 10.37563333 88607 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.9 0.0 M+H C28H42O4 -1.472115873 19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid 471.3099132 10.40653333 HMDB0038683 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.9 0.0 M+H C29H42O5 -1.249495193 12(S)-HETE 321.2418648 10.55191667 3841 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14777 36.9 0.0 M+H C20H32O3 -1.737709198 Retinylphosphate mannose 529.2564743 10.58235 2272 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H C26H41O9P 0.71617127 (3beta,5alpha,6beta,9alpha,22E,24R)-5,9-Epidioxyergosta-7,22-diene-3,6-diol 445.330693 10.59686667 93585 Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids 1 Unclassified 36.9 0.0 M+H C28H44O4 -1.222710259 Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5a,6a)- 408.3102017 10.85656667 1091 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C24H38O4 -1.623332062 Dehydroandrosterone 289.2160842 10.96895 HMDB0005962 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 36.9 0.0 M+H C19H28O2 -0.424557048 Hydroprene 284.258285 11.28201667 72624 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C17H30O2 -0.453438524 cis-cetoleic acid 356.3517624 11.37685 LMFA01030088 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.9 0.0 M+NH4 C22H42O2 -1.607188586 5Z,7E,9E,14Z,17Z-eicosapentaenoic acid 303.2314092 11.63391667 35346 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C12083 36.9 0.0 M+H C20H30O2 -1.480347605 5-Oxo-ETE 336.2528757 11.71073333 3844 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14732 36.9 0.0 M+NH4 C20H30O3 -1.397173906 beta-Kessyl alcohol 239.2002586 12.18115 HMDB0031384 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.9 0.0 M+H C15H26O2 -1.250626631 Avocadienofuran 264.2321472 12.95093333 HMDB0030926 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C17H26O -0.177872418 2-(2'-Methylthio)ethylmalic acid 247.0041633 3.2875 64491 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+K C7H12O5S 2.214746365 Hydroxytolbutamide 287.1058027 3.67825 2869 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified Unclassified 36.9 0.0 M+H C12H18N2O4S -0.705280486 Dipipanone 388.2048095 3.7293 2340 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+K C24H31NO 3.11185667 Benzylparaben 246.1124372 4.50795 70024 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C14H12O3 -0.142872212 Hexylresorcinol 212.1644444 4.682216667 HMDB0032567 Benzenoids Phenols Benzenediols Unclassified Unclassified 36.9 0.0 M+NH4 C12H18O2 -0.313716137 polypodine B 497.3121168 4.6987 57642 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified C08834 36.9 0.0 M+H C27H44O8 2.462290156 Aucuparin 248.1279497 4.871 68010 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C14H14O3 -0.7392584 Tryptophyl-Threonine 288.1345082 4.9001 85986 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.9 0.0 M+H-H2O C15H19N3O4 0.787562946 Zalcitabine monophosphate 309.0968057 4.9001 3063 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C9H14N3O6P 3.292787217 3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]prop-2-enimidic acid 396.1401853 4.9001 HMDB0135474 Benzenoids Benzene and substituted derivatives Methoxybenzenes Unclassified Unclassified 36.9 0.0 M+Na C20H23NO6 -4.21499154 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]prop-2-enimidic acid 410.1557988 4.916283333 HMDB0135466 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid amides Unclassified Unclassified 36.9 0.0 M+Na C21H25NO6 -4.156857824 4,4-Bis[4-(acetyloxy)phenyl]3-hexanone 391.1527193 4.9501 70635 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+Na C22H24O5 3.054922546 Sapropterin 264.1059117 4.983366667 5753 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives 2 C00272 36.9 0.0 M+Na C9H15N5O3 -3.311170012 8-(1-Hydroxyethyl)etodolac 321.1808568 4.999783333 2634 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C17H21NO4 -0.088653974 (1RS,2RS)-Guaiacylglycerol 1-glucoside 377.1452413 5.047433333 HMDB0033300 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.9 0.0 M+H C16H24O10 2.706210531 JWH 307 403.2185036 5.079183333 85204 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C26H24FNO 1.260315488 Murrayanine 243.1129692 5.0956 67535 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified C09228 36.9 0.0 M+NH4 C14H11NO2 0.733463089 Cyflumetofen 470.1658318 5.0956 72323 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4, M+Na C24H24F3NO4 3.020845002 Trisphaeridine 241.0972682 5.1277 69349 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C14H9NO2 0.511592551 15-Deacetylneosolaniol 358.187429 5.207283333 HMDB0036157 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C02951 36.9 0.0 M+NH4 C17H24O7 4.116892117 Prostaglandin H2 2-glyceryl Ester 449.2496424 5.223183333 HMDB0062663 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 36.9 0.0 M+Na C23H38O7 -3.124508294 Cyperaquinone 260.0916533 5.2563 68244 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C14H10O4 -0.334886 Dehydrodolineone 317.044243 5.33425 LMPK12060060 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.9 0.0 M+H-H2O C19H10O6 -0.619019276 Prosolanapyrone II 322.2011133 5.41175 73437 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C18H24O4 -0.563779548 Hydroxyprolyl-Tryptophan 300.1342566 5.427633333 HMDB0028874 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.9 0.0 M+H-H2O C16H19N3O4 -0.035578801 Cyclo(L-Phe-L-Pro) 262.1550155 5.44365 69242 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C14H16N2O2 0.050125518 Asebotoxin II 431.249964 5.4597 67396 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H, M+Na C23H36O6 -0.292373996 tetranor-PGEM-d6 352.2226849 5.474733333 96521 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C16H18D6O7 -3.005041131 Hoffmanniolide 861.4287364 5.50615 73493 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H-H2O C42H70O17S -1.533583023 N,N-Didemethyldiphenhydramine 245.1648246 5.553333333 2318 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C15H17NO -0.066567217 9,12-Hexadecadienoylcarnitine 418.2910687 5.586183333 HMDB0013334 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.9 0.0 M+Na C23H41NO4 -4.327670853 LPIM2(17:0/0:0) 928.4512451 5.6028 LMGP15040010 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositolglycans Unclassified Unclassified 36.9 0.0 M+NH4 C38H71O22P -0.044967403 Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) 393.1682136 5.66695 771 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+K C19H30O6 2.306024869 (S)-Curzeone 246.1486287 5.713466667 89587 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.9 0.0 M+NH4 C15H16O2 -0.993385055 Icaceine 393.2741815 5.810533333 67123 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C22H33NO4 -1.605711186 trans-Zeatin 237.1483543 5.910883333 HMDB0012204 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 3 C00371 36.9 0.0 M+H, M+NH4 C10H13N5O -0.544255647 Hordatine A 549.2915216 5.9279 HMDB0030461 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Unclassified Unclassified C08307 36.9 0.0 M+H-H2O C28H38N8O5 -3.013457252 N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide 297.2170903 6.011633333 HMDB0036326 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 36.9 0.0 M+NH4 C16H25NO3 -0.640928368 DG(8:0/0:0/19:0) 537.3894244 6.202516667 HMDB0092938 Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1 Unclassified 36.9 0.0 M+K C30H58O5 -4.330812716 4-hydroxyestradiol 306.2059783 6.218066667 LMST02010028 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 2 C14209 36.9 0.0 M+NH4 C18H24O3 -1.359859543 PA(8:0/a-13:0) 512.3327765 6.266266667 HMDB0115680 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 36.9 0.0 M+NH4 C24H47O8P -3.852186311 Chrysanthetriol 255.1951813 6.49935 71815 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H C15H26O3 -1.14035933 6-O-(1-O-stearoyl-sn-glycero-3-phosphono)-1D-myo-inositol 623.3164215 6.549566667 LMGP02060007 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 36.9 0.0 M+Na C27H53O12P -0.438014887 DESMETHYLDIHYDROCAPSAICIN 311.2321519 6.878166667 44179 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+NH4 C17H27NO3 -2.617349858 delta15-10-NeuroF 395.242212 6.878166667 LMFA04020006 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 36.9 0.0 M+H C22H34O6 -1.53019983 11,12-DiHETrE-EA 399.3214755 6.954833333 36765 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 36.9 0.0 M+NH4 C22H39NO4 -0.678533575 11-dehydro-2,3-dinor Thromboxane B2 363.1787751 7.004516667 45640 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+Na C18H28O6 2.839012977 3,4,5-trihydroxy-6-{[(6Z)-7-hydroxy-6-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid 397.1852176 7.103816667 HMDB0126541 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.9 0.0 M+H C20H28O8 -1.203302151 2-hexyl-3-phenyloxirane-2-carboxylic acid 231.1377452 7.13705 HMDB0134148 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.9 0.0 M+H-H2O C15H20O3 -0.850558804 azido-FTY720 371.242277 7.419333333 45133 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+Na C19H32N4O2 1.522066264 pregnenolone sulfate 414.230265 7.941333333 5740 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 36.9 0.0 M+NH4 C21H32O5S -1.528743185 ENOXOLONE 471.3467046 7.941333333 43857 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 C02283 36.9 0.0 M+H C30H46O4 -0.386542235 4b-Hydroxystanozolol 362.2796023 8.168216667 HMDB0003318 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 Unclassified 36.9 0.0 M+NH4 C21H32N2O2 -1.747349507 MG(0:0/19:0/0:0) 390.3572102 8.34725 HMDB0072840 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.9 0.0 M+NH4 C22H44O4 -1.544893399 (3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one 475.3412786 8.34725 HMDB0035221 Lipids and lipid-like molecules Prenol lipids Diterpenoids Unclassified Unclassified 36.9 0.0 M+H C29H46O5 -1.101440881 6-Feruloylglucose 2,3,4-trihydroxy-3-methylbutylglycoside 513.1361918 8.4611 HMDB0036214 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.9 0.0 M+K C21H30O12 -1.460722063 cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene 175.075244 8.624666667 69799 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+H-H2O C11H12O3 -0.582950475 5'-Carboxy-alpha-chromanol 338.2321373 8.91945 HMDB0012798 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 36.9 0.0 M+NH4 C19H28O4 -1.397881606 Hoduloside IV 946.5356767 8.91945 HMDB0039073 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.9 0.0 M+NH4 C47H76O18 -1.415592177 MG(14:1(9Z)/0:0/0:0) 283.2264401 9.449533333 HMDB0011562 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.9 0.0 M+H-H2O C17H32O4 -1.103097559 Erythromycin C 737.4820017 9.598433333 2575 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C01912 36.9 0.0 M+NH4 C36H65NO13 3.593135774 1a,1b-dihomo-PGD2 403.2455144 9.614566667 36205 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.9 0.0 M+Na C22H36O5 0.051103686 10-keto myristic acid 243.1952668 0.00225 LMFA01060045 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.8 0.0 M+H C14H26O3 -0.843618633 3-(3-hydroxyphenyl)-2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol 445.1193136 0.00225 HMDB0129161 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Unclassified Unclassified Unclassified 36.8 0.0 M+K C28H22O3 -1.819488036 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate 313.0355062 0.635583333 HMDB0059975 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.8 0.0 M+Na C11H14O7S 0.90253812 13-dimethylarsinoyl-tridecanoic acid 317.1452023 0.67715 LMFA00000034 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified Unclassified 36.8 0.0 M+H-H2O C15H31AsO3 -1.274231619 (+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one 287.0691561 0.815583333 86356 Phenylpropanoids and polyketides Kavalactones Unclassified Unclassified Unclassified 36.8 0.0 M+K C14H16O4 4.590804526 13-Hydroxylupanine 265.1907251 1.453516667 64452 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H C15H24N2O2 -1.246652866 2-DPMP 234.1650934 1.700233333 85086 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H-H2O C18H21N 3.909567864 beta-O-Methylynephrine 199.1440266 1.933416667 HMDB0033868 Benzenoids Benzene and substituted derivatives Benzylethers Unclassified Unclassified 36.8 0.0 M+NH4 C10H15NO2 -0.428715237 Falcarindiol 261.1846222 10.006 LMFA05000658 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 C08449 36.8 0.0 M+H C17H24O2 -1.092663417 Sterol 3-beta-D-glucoside 411.2720983 10.19313333 66016 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H C23H38O6 -4.916397854 MG(10:0/0:0/0:0) 269.1717843 10.22548333 HMDB0072866 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.8 0.0 M+Na C13H26O4 -2.216501126 MG(0:0/i-19:0/0:0) 390.3572431 10.33101667 HMDB0072876 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.8 0.0 M+NH4 C22H44O4 -1.456703984 PC(18:2(9Z,12Z)/0:0)[U] 520.3421465 10.37563333 40302 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H-H2O, M+H C26H50NO7P 3.603373407 MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0) 385.2731508 10.43841667 62369 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.8 0.0 M+H-H2O C25H38O4 -1.418499803 Hydroxypelenolide 253.1795368 10.45468333 91705 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.8 0.0 M+H C15H24O3 -1.127073601 2-Methoxyestradiol-3-methylether 334.2372169 10.48696667 LMST02010052 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 Unclassified 36.8 0.0 M+NH4 C20H28O3 -1.433750769 13-Tetradecene-1,3-diyne-6,7-diol 238.1799045 10.56758333 LMFA05000589 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 36.8 0.0 M+NH4 C14H20O2 -1.139854286 (2Z)-3-hydroxy-2-(phenylmethylidene)heptanoic acid 217.1220952 10.62896667 HMDB0133171 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids Unclassified Unclassified 36.8 0.0 M+H-H2O C14H18O3 -0.901178801 5-Dehydroavenasterol 433.3422583 10.82331667 HMDB0006852 Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives 2 C15783 36.8 0.0 M+Na C29H46O -4.455874224 C-6 Ceramide 415.3887929 10.93656667 63012 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C24H47NO3 -1.577862726 7-Oxosteroid 257.2260267 10.96895 65670 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H-H2O C19H30O -1.27870297 MG(12:0/0:0/0:0) 257.2107672 11.00068333 HMDB0072863 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.8 0.0 M+H-H2O C15H30O4 -1.291071686 Geranyl 2-methylpropanoate 225.1846365 11.80243333 HMDB0038260 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 36.8 0.0 M+H C14H24O2 -1.20395665 Tetradecanal 230.2475789 12.13366667 HMDB0034283 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 36.8 0.0 M+NH4 C14H28O -1.235137807 NONOXYNOL-9 634.451735 12.41441667 43278 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 36.8 0.0 M+NH4 C33H60O10 -1.198248118 Simvastatin 441.2607697 12.5264 HMDB0005007 Organoheterocyclic compounds Lactones Delta valerolactones Unclassified Unclassified 36.8 0.0 M+Na C25H38O5 -0.897303915 PS(20:3(8Z,11Z,14Z)/0:0) 548.299846 13.57893333 78849 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.8 0.0 M+H C26H46NO9P 2.833730153 PE(P-20:0/0:0) 532.314512 14.04356667 77701 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 36.8 0.0 M+K C25H52NO6P -3.792683495 Magnoshinin 437.1930241 15.02583333 68471 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+Na C24H30O6 -1.050766287 3-Methylsulfinylpropyl isothiocyanate 201.9755034 15.9647 HMDB0006095 Organosulfur compounds Sulfoxides Unclassified Unclassified Unclassified 36.8 0.0 M+K C5H9NOS2 -1.292131215 Wyerol 278.1386412 4.376416667 HMDB0039142 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.8 0.0 M+NH4 C15H16O4 -0.166660646 bisdeallyalmitrine 398.1893962 4.393 928 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H C20H21F2N7 -1.335253467 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 550.1814001 4.393 HMDB0132953 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M+Na C23H33N3O9S -2.980341181 Nitrothal-isopropyl 313.1392914 4.40975 72634 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C14H17NO6 -0.411312174 Sambunigrin 313.1393313 4.540083333 HMDB0034981 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C04273 36.8 0.0 M+NH4 C14H17NO6 -0.276000057 Methysergide 336.2080634 4.55555 HMDB0014392 Alkaloids and derivatives Ergoline and derivatives Lysergic acids and derivatives Unclassified C07199 36.8 7.95 M+H-H2O C21H27N3O2 2.900485053 6b-Hydroxymethandienone 339.1922275 4.587983333 58328 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 36.8 0.0 M+Na C20H28O3 -2.649943832 Tetranor-5-NO2-CLA 287.1963785 4.856283333 LMFA01120010 Lipids and lipid-like molecules Fatty Acyls Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C14H23NO4 -0.576691691 Corrinoid 324.2167591 4.871 7042 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C19H22N4 -4.941823591 1-dimethylarsinoyl-pentadecane 315.202537 4.966716667 LMFA11000715 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 36.8 0.0 M+H-H2O C17H37AsO -0.63822469 xi-Linalool 3-[rhamnosyl-(1->6)-glucoside] 445.2438557 4.999783333 HMDB0030422 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.8 0.0 M+H-H2O C22H38O10 1.398598865 GEDUNIN 483.2383832 5.031616667 43659 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H C28H34O7 1.354742483 OOB-PG 617.3048502 5.047433333 LMGP20060019 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.8 0.0 M+Na C28H51O11P -2.136157751 Lacinilene C 264.1592732 5.0956 91588 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.8 0.0 M+NH4 C15H18O3 -0.596223316 N(6)-(Octanoyl)lysine 273.2171457 5.144516667 HMDB0011684 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M+H C14H28N2O3 -0.453667005 DIACETYLDIDEISOVALERYL-RHODOMYRTOXIN 327.0868411 5.144516667 44068 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H-H2O C18H16O7 1.529985487 ANISODAMINE 323.1963289 5.1774 44029 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C17H23NO4 -0.671270689 Cysteinyl-Isoleucine 235.1112376 5.192583333 HMDB0028778 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M+H C9H18N2O3S 0.631070099 Nostocyclopeptide A1 795.3774468 5.272583333 71054 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+K C37H56N8O9 -3.617967245 1-(2-methoxy-13-methyl-6Z-tetradecenyl)-sn-glycero-3-phosphoserine 498.2807966 5.319616667 LMGP03060006 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.8 0.0 M+H C22H44NO9P -3.717109985 Pristinamycin IB 870.4181108 5.348566667 69134 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C44H52N8O10 4.276715292 SU 5416 239.1178317 5.3798 45544 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H C15H14N2O -0.24292206 FENSPIRIDE 261.1595025 5.3953 43463 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H, M+NH4 C15H20N2O2 -0.968043163 (+)-Blebbistatin 315.1112428 5.50615 45474 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+Na C18H16N2O2 2.890281003 OA-6129 E 512.202711 5.50615 71650 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+Na C21H35N3O8S -2.035531824 LysoPE(14:1(9Z)/0:0) 424.2438287 5.537433333 62288 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 36.8 0.0 M+H C19H38NO7P -4.812738232 LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) 566.2661387 5.569416667 HMDB0011494 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 36.8 6.23 M+K C27H46NO7P 3.396782677 LY395153 378.18444 5.682066667 69629 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C19H24N2O3S -0.414049699 Hydroxydestruxin B 627.4070597 5.7291 HMDB0040135 Organic acids and derivatives Peptidomimetics Depsipeptides Unclassified Unclassified 36.8 0.0 M+NH4 C30H51N5O8 -0.868776081 (Z)-16-oxo-octadeca-9,17-dien-12,14-diynoic acid 304.1905132 5.810533333 LMFA01031142 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.8 14.3 M+NH4 C18H22O3 -0.722924012 1-nonadecanoyl-glycero-3-phosphate 470.3228301 5.82695 HMDB0062322 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 36.8 0.0 M+NH4 C22H45O7P -2.842851776 Lepidine D 364.178118 5.877366667 HMDB0032716 Benzenoids Benzene and substituted derivatives Diphenylethers Unclassified Unclassified 36.8 0.0 M+NH4 C20H18N4O2 3.803663862 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 373.1422223 5.894166667 88636 Benzenoids Phenol esters Unclassified Unclassified Unclassified 36.8 0.0 M+K C19H26O5 3.112910794 Peonidin 3-rutinoside 609.1810143 5.894166667 47004 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H C28H32O15 -0.628779608 cis,cis-4-Hydroxymuconic semialdehyde 125.0234363 6.0283 66454 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H-H2O C6H6O4 0.815734577 (1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside 315.1801086 6.044966667 89443 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.8 0.0 M+H-H2O C16H28O7 -0.320314445 3'-Hydroxy-E,E-dienoestrol 321.0900047 6.0775 2002 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+K C18H18O3 4.438313747 Dicyclohexyl phthalate 348.2165413 6.154283333 70130 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C20H26O4 -1.19175498 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 587.3110712 6.249683333 LMGP03050013 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.8 0.0 M+NH4 C28H44NO9P 3.297302794 2-Phenylethyl hexanoate 238.1799232 6.282966667 HMDB0037718 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.8 0.0 M+NH4 C14H20O2 -1.054840614 4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid 237.11176 6.383283333 HMDB0140425 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.8 0.0 M+H C13H16O4 -1.590031895 Nigakilactone F 391.2096242 6.53305 71510 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H-H2O, M+NH4 C22H32O7 -4.632081378 12-oxo-5E,8E,10Z-heptadecatrienoic acid 296.2220307 6.549566667 LMFA01060111 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.8 0.0 M+NH4 C17H26O3 0.037768427 Citalopram N-oxide 379.1230465 6.848 HMDB0060654 Benzenoids Benzene and substituted derivatives Phenylbutylamines 2 C16607 36.8 0.0 M+K C20H21FN2O2 3.475596453 6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) 297.1317082 6.892733333 96304 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+H C12H12N10 -0.704629575 Nigakilactone B 410.2532423 6.92295 71502 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C22H32O6 -1.203438762 Anhydrocinnzeylanine 426.2482407 6.954833333 HMDB0036864 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.8 0.0 M+NH4 C22H32O7 -0.950925236 1,3,5,11-Bisabolatetraen-10-one 234.1850635 7.0212 91268 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.8 0.0 M+NH4 C15H20O -0.820160892 Nonadecandioic acid 367.2260021 7.037866667 LMFA01170135 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.8 0.0 M+K C19H36O4 4.522086953 (2Z)-2-[(3-hydroxyphenyl)methylidene]heptanoic acid 217.1221178 7.25285 HMDB0133172 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.8 0.0 M+H-H2O C14H18O3 -0.804560272 2-Polyprenyl-6-methoxyphenol 278.2113556 7.25285 HMDB0060355 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C17552 36.8 0.0 M+NH4 C17H24O2 -0.38408761 PE(O-18:1(9Z)/0:0) 466.3269475 7.25285 46718 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 36.8 0.0 M+H C23H48NO6P -4.843579358 3-methyl-tridecanedioic acid 276.2167304 7.30255 LMFA01170016 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.8 0.0 M+NH4 C14H26O4 -0.79176454 3beta-Allotetrahydrocortisol 384.2746937 7.31915 LMST02030139 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 36.8 0.0 M+NH4 C21H34O5 0.666145747 11-Dehydrocorticosterone 362.2325583 7.352033333 57880 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05490 36.8 0.0 M+NH4 C21H28O4 -0.077185751 calcitetrol 415.3199721 7.402283333 LMST03020686 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 36.8 0.0 M+H-H2O, M+H C27H44O4 -1.618071197 (-)-Solavetivone 201.1640598 7.419333333 LMPR0103650001 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.8 0.0 M+H-H2O C15H22O 1.296008904 5-(14-Nonadecenyl)-1,3-benzenediol 397.3070002 7.502433333 HMDB0031677 Benzenoids Phenols Benzenediols Unclassified Unclassified 36.8 0.0 M+Na C25H42O2 -1.87298569 2,15,16-trihydroxy palmitic acid 305.2318551 7.535616667 35476 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.8 0.0 M+H, M+H-H2O C16H32O5 -1.299987523 2,4-Undecadiene-8,10-diynoic acid isobutylamide 247.1801409 7.634533333 93707 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 36.8 0.0 M+NH4 C15H19NO -1.522484607 Piperonyl butoxide 356.2425723 7.724266667 72641 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C19H30O5 -1.706896688 16-phenyl tetranor Prostaglandin E1 392.2428449 7.767266667 45594 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C22H30O5 -0.814311103 2-(14,15-Epoxyeicosatrienoyl) Glycerol 377.2682528 7.891566667 44863 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.8 0.0 M+H-H2O C23H38O5 -0.972119685 Hydroxyisonobilin 380.2062922 7.9907 HMDB0034475 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.8 0.0 M+NH4 C20H26O6 -1.30304371 PG(20:0/0:0) 541.3485588 8.006833333 LMGP04050015 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 36.8 0.0 M+H C26H53O9P -2.660400041 17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate 437.246376 8.168216667 70195 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+K C26H38O3 2.819334105 Esculentic acid (Phytolacca) 485.3254998 8.249916667 90101 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.8 0.0 M+H-H2O C30H46O6 -1.296319239 1-O-(2R-hydroxy-docosanyl)-sn-glycerol 455.3512611 8.331033333 LMGL01020068 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 36.8 0.0 M+K C25H52O4 3.705273966 Nonanoylcarnitine 302.2322369 8.6408 LMFA07070082 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.8 0.0 M+H C16H31NO4 -1.15534377 17-Hydroxy-E4-neuroprostane 377.231575 8.719533333 HMDB0012601 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.8 0.0 M+H C22H32O5 -1.79566236 Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl-, 17-acetate 427.2256719 8.845266667 1084 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+K C24H36O4 2.972825098 15(S)-HpEDE 358.2945378 9.22305 35361 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+NH4 C20H36O4 -1.902681747 Houttuynin 244.2268436 9.548733333 HMDB0034561 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 C16947 36.8 0.0 M+NH4 C14H26O2 -1.158274402 (+)-Scalarin 403.2839246 9.581783333 53745 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 36.8 0.0 M+H C25H38O4 -0.898800197 13'-Carboxy-gamma-tocotrienol 441.2995494 9.793166667 HMDB0012558 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 36.8 0.0 M+H C28H40O4 -0.878582373 9S,10S,11R-trihydroxy-12Z-octadecenoic acid 353.2302948 9.976083333 LMFA02000011 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 36.8 0.0 M+Na C18H34O5 1.362452113 7-Drimene-11,12,14-triol 277.1796023 0.00225 91869 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 36.7 0.0 M+H-H2O, M+Na C15H26O3 -0.800713091 (+/-)-Dihydrofarnesol 225.2210441 0.053916667 HMDB0032218 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.7 0.0 M+H C15H28O -1.10548773 1-(p-Fluorophenyl) piperazine 181.1144095 0.538583333 96616 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C10H13FN2 4.755003003 2-(7'-Methylthio)heptylmalic acid 279.1273377 0.64945 64508 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C12H22O5S 4.553790214 YM-53601 319.1608284 0.663316667 45622 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H-H2O, M+H C21H21FN2O 0.967040163 N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine 281.0799163 0.704816667 HMDB0002194 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.7 0.0 M+NH4 C9H13NO6S -1.016403272 1-(2-Thienyl)-1-butanone 137.0415152 0.84375 88838 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.7 0.0 M+H-H2O C8H10OS -2.807821536 Diethylcarbamazine 222.1567944 0.9714 HMDB0014849 Organoheterocyclic compounds Diazinanes Piperazines Unclassified C07968 36.7 0.0 M+Na C10H21N3O -4.461290931 (+/-)-1-Phenylethylmercaptan 156.083733 1.0006 HMDB0032467 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C8H10S -2.997932659 Cyflufenamid 430.156674 1.0006 72322 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C20H17F5N2O2 4.439458539 Asparaginyl-Glutamate 278.1232146 1.01445 85645 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.7 0.0 M+NH4 C9H14N3O6- 4.340588019 Kenposide B 471.2197343 1.01445 HMDB0039749 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.7 0.0 M+Na C21H36O10 -0.744560907 Kaempferol 269.0443472 1.056116667 HMDB0005801 Phenylpropanoids and polyketides Flavonoids Flavones 3 C05903 36.7 0.0 M+H-H2O C15H10O6 -0.358499666 2-Amino-4-hydroxy-6-(hydroxymethyl)-7,8-dihydropteridine 178.0723313 1.54975 3335 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H-H2O C7H9N5O2 -0.025634336 Rotigotine 354.1294243 1.716933333 HMDB0015615 Benzenoids Tetralins Unclassified Unclassified Unclassified 36.7 0.0 M+K C19H25NOS 1.84271534 Auberganol 241.2160422 1.733633333 94270 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.7 0.0 M+H C15H28O2 -0.684255579 (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside 608.4185474 10.006 HMDB0037956 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 36.7 0.0 M+NH4 C34H54O8 4.832852715 3-hydroxydodecanoylcarnitine 360.274019 10.22548333 LMFA07070039 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 36.7 0.0 M+H C19H37NO5 -1.198800839 F4-Neuroprostane (7-series) 401.2291643 10.24085 69717 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+Na C22H34O5 -1.799392623 Rimantadine 218.1299843 10.33101667 HMDB0014621 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified C07236 36.7 0.0 M+K C12H21N -3.200866091 (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol 429.3357893 10.33101667 HMDB0032107 Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids 1 Unclassified 36.7 0.0 M+H-H2O C28H46O4 -1.192920375 PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 531.2724879 10.39106667 80018 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 36.7 0.0 M+H C26H43O9P 1.399031922 (2R,6S,7S,10Z)-beta-Santala-3(15),10-dien-12-ol 238.2163059 10.47075 HMDB0030232 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09720 36.7 0.0 M+NH4 C15H24O -1.067425195 Bufadienolide 337.2519458 10.58235 71434 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H-H2O C24H34O2 -1.824429208 beta-Boswellic acid 439.356456 10.6612 LMPR0106180011 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.7 0.0 M+H-H2O, M+H C30H48O3 -1.317185951 1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol 251.0364833 10.75773333 96301 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+Na C11H8N4S 1.29505312 3-methyl-hexadecanedioic acid 283.2264067 10.93656667 LMFA01170024 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.7 0.0 M+H-H2O C17H32O4 -1.214398453 24-Oxo-1alpha,23,25-trihydroxyvitamin D3 464.3364466 10.98478333 HMDB0060129 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 36.7 0.0 M+NH4 C27H42O5 -1.351942209 11-Hydroxyandrosterone 307.2262256 11.0171 57820 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 C14606 36.7 0.0 M+H C19H30O3 -1.781942766 Patchoulenone 201.1635484 11.10941667 90999 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.7 0.0 M+H-H2O C15H22O -1.048258836 PI(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 839.5095485 11.10941667 LMGP06010105 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 36.7 0.0 M+H-H2O C45H77O13P 3.10284712 Geranyl 2-methylbutyrate 239.200185 11.1999 HMDB0032291 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 36.7 0.0 M+H C15H26O2 -1.55986515 Vaccenyl carnitine 443.3839282 12.38306667 HMDB0006351 Unclassified Unclassified Unclassified 1 Unclassified 36.7 0.0 M+NH4 C25H47NO4 -0.955177841 Demethylphylloquinone 475.2967952 13.04223333 58249 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 2 C13309 36.7 0.0 M+K C30H44O2 -1.131128214 OG-PE 576.3312412 13.59376667 LMGP20020036 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.7 0.0 M+H-H2O C28H52NO10P 2.774020898 2-Heptadecylfuran 324.3256661 15.26215 HMDB0033608 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C21H38O -1.388583166 Glenvastatin 449.2237397 2.685183333 69164 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C27H26FNO3 0.56173841 Tetrahydrofolic acid 463.2032295 3.321083333 714 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C00101 36.7 0.0 M+NH4 C19H23N7O6 -3.543518463 Munetone 434.1956366 4.196733333 LMPK12050078 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.7 5.83 M+NH4 C26H24O5 -1.352447899 Compound III(S) 393.2130849 4.294566667 66417 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+Na C22H30N2O3 -4.80419716 Fumigaclavine A 281.1657478 4.376416667 HMDB0030202 Alkaloids and derivatives Ergoline and derivatives Clavines and derivatives Unclassified Unclassified 36.7 1.51 M+H-H2O C18H22N2O2 3.045722135 Atorvastatin 541.2485531 4.47545 1136 Organoheterocyclic compounds Pyrroles Substituted pyrroles Unclassified C06834 36.7 0.0 M+H-H2O C33H35FN2O5 -2.076276014 2,3-dihydro-2-oxo-1H-Benzimidazole-1-propanoic acid 207.0765101 4.491716667 2386 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H, M+Na C10H10N2O3 0.443776676 Ankorine 358.1973819 4.5244 64423 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+Na C19H29NO4 -4.46641874 Allamandin 309.0969051 4.540083333 67925 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C15H16O7 0.083953077 M 344 308.1970815 4.619866667 45479 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C16H25N3O3 0.694820327 Ipolamiide 407.1561317 4.635566667 67934 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C17H26O11 3.308184893 JWH 368 403.2188158 4.6987 85206 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C26H24FNO 2.070918489 Praziquantel 330.2173756 4.841016667 HMDB0015191 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified Unclassified C07367 36.7 0.0 M+NH4 C19H24N2O2 -0.730014688 Urolithin C 227.0334572 4.871 86097 Phenylpropanoids and polyketides Coumarins and derivatives Unclassified Unclassified Unclassified 36.7 0.0 M+H-H2O C13H8O5 -1.753547364 AM2201 N-(3-fluoropentyl) isomer 342.1657554 4.983366667 96701 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H-H2O C24H22FNO 1.395171234 N-(5,8,11,14-eicosatetraynoyl)-ethanolamine 362.208521 5.144516667 LMFA08040014 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 36.7 10.3 M+Na C22H29NO2 -1.558930847 LysoPA(0:0/16:0) 449.2049939 5.161166667 HMDB0007849 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 36.7 0.0 M+K C19H39O7P -3.667168928 Kanokoside B 479.213845 5.1774 71685 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.7 0.0 M+H C21H34O12 3.224710777 Hymenoxon 300.1805892 5.3049 67736 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C15H22O5 0.141367479 PG(P-16:0/16:1(9Z)) 743.4650541 5.3049 LMGP04030008 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 36.7 0.0 M+K C38H73O9P 3.797648344 Lycodine 260.2121207 5.319616667 67981 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C16H22N2 -0.014497552 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime 397.2260855 5.44365 70599 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+K C22H34N2O2 2.509459174 PHODiA-PE 662.3068577 5.6028 LMGP20020021 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.7 0.0 M+K C29H54NO11P 0.403345127 Ammothamnine 265.1908686 5.650983333 68548 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C15H24N2O2 -0.703542014 Flavaprenin 7,4'-diglucoside 703.1977811 5.682066667 LMPK12140228 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+K C32H40O15 -3.157820033 PKHdiA-PG 656.3424184 5.7291 LMGP20060012 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.7 0.0 M+NH4 C29H51O13P 2.921078728 alpha-Amylcinnamyl acetate 264.1956326 6.0283 91355 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 36.7 0.0 M+H, M+NH4 C16H22O2 -1.383020513 Soyasaponin A2 1107.556595 6.061516667 HMDB0038607 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.7 0.0 M+H C53H86O24 -1.432691249 1-(2-methoxy-14-methyl-pentadecanyl)-sn-glycero-3-phosphoethanolamine 487.3485615 6.061516667 LMGP02060014 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 36.7 0.0 M+NH4 C22H48NO7P -4.482187764 B-Octylglucoside 275.1850317 6.18665 24055 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H-H2O C14H28O6 -0.919418562 S-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one 293.1855574 6.18665 65459 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C16H21NO3 -1.496162754 25-Cinnamoyl-vulgaroside 549.3200033 6.18665 95772 Lipids and lipid-like molecules Prenol lipids Sesterterpenoids 1 Unclassified 36.7 0.0 M+H-H2O C34H46O7 -1.875743901 Desmethylflumazenil acid (Ro 15-6877) 279.0882099 6.218066667 2729 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C12H8FN3O3 -2.240725806 STROPHANTHIDINIC ACID LACTONE ACETATE 483.1790238 6.218066667 43787 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+K C25H32O7 2.391613967 Dehydro-L-(+)-ascorbic acid dimer 366.0672835 6.29965 45119 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C12H12O12 1.672761868 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol 459.3425176 6.332866667 LMST04030014 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 2 C05446 36.7 0.0 M+Na C27H48O4 -4.498843446 Trehalulose 360.1470575 6.44925 HMDB0039727 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 Unclassified 36.7 0.0 M+NH4 C12H22O11 -8.709076066 N-Formyl-norleucyl-leucyl-phenylalanyl-methylester 451.2913307 6.53305 68970 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C23H35N3O5 -0.383382206 Geosmin 205.156869 6.582466667 HMDB0036461 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified C16286 36.7 0.0 M+Na C12H22O 3.200585215 Benzyloxyphenylisoserine Methylester 317.1496863 6.679716667 73564 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C17H17NO4 0.343510132 20-Hydroxy-leukotriene E4 456.2410293 6.938916667 LMFA03020062 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C03577 36.7 0.0 M+H C23H37NO6S -0.891971271 Equisetolic acid 521.3945108 6.971566667 LMFA01170042 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.7 0.0 M+K C30H58O4 -4.472265571 Tanavulgarol 254.2112692 6.987866667 91724 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.7 0.0 M+NH4 C15H24O2 -0.788868343 PC(P-16:0/0:0) 518.3023592 6.987866667 LMGP01070006 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1 Unclassified 36.7 0.0 M+K C24H50NO6P 3.392552959 2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine 226.0622606 7.0212 HMDB0040012 Organoheterocyclic compounds Pyrrolizines Unclassified Unclassified Unclassified 36.7 0.0 M+K C12H13NO -3.268627437 Arjunolic acid 471.3466733 7.120433333 LMPR0106150023 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.7 0.0 M+H-H2O, M+H C30H48O5 -0.436273711 Lepidine F 364.1782137 7.236083333 88986 Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Unclassified Unclassified 36.7 0.0 M+NH4 C20H18N4O2 4.080115837 DG(8:0/0:0/i-19:0) 537.3892345 7.352033333 HMDB0092940 Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1 Unclassified 36.7 0.0 M+K C30H58O5 -4.711795032 PC(O-13:0/O-1:0)[U] 454.3271328 7.618366667 40193 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C22H48NO6P -4.563131829 3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid 425.2893455 7.7527 5356 Lipids and lipid-like molecules Sphingolipids Glycosphingolipids 1 Unclassified 36.7 0.0 M+H C24H40O6 -0.989798143 4-Ethyl-2-hexyl-5-methyloxazole 234.124844 7.891566667 HMDB0037901 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 36.7 0.0 M+K C12H21NO -3.219676462 AKB48 404.2092502 7.974333333 85060 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+K C23H31N3O -1.698918853 12-keto-10,11,14,15-tetrahydro-LTB4 321.2419882 8.103666667 36238 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C02165 36.7 0.0 M+H-H2O C20H34O4 -1.280559057 DMABA-d6 NHS ester 269.1407144 8.119833333 96492 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C13H8D6N2O4 1.568625537 2b,3a,7a-Trihydroxy-5b-cholanoic acid 426.320404 8.521183333 5393 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.7 0.0 M+NH4 C24H40O5 -2.439140008 Heptyl cinnamate 247.1688351 8.549466667 HMDB0037705 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Unclassified Unclassified 36.7 0.0 M+H C16H22O2 -1.711572117 Isorenieratene/ (Leprotene) 511.3737046 8.549466667 LMPR01070124 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 36.7 1.73 M+H-H2O C40H48 2.63320884 10-Hydroperoxy-H4-neuroprostane 410.2532903 8.592716667 HMDB0062274 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.7 0.0 M+NH4 C22H32O6 -1.080870695 Camelliagenin B 489.3568047 8.608466667 90000 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.7 0.0 M+H C30H48O5 -1.323537866 Humulone 363.2161627 8.624666667 68503 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+H C21H30O5 -1.208663088 Graecunin E 1029.524898 8.861016667 HMDB0039515 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 36.7 0.0 M+H-H2O C51H82O22 -1.517247368 Citronellyl trans-2-methyl-2-butenoate 239.2002175 9.081183333 LMFA07010821 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 36.7 0.0 M+H C15H26O2 -1.423255447 16-O-deacetyl-16-epi-scalarolbutenolide 403.2837691 9.097216667 LMPR0105060005 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 36.7 0.0 M+H C25H38O4 -1.285337773 Rhodinyl isobutyrate 244.2267351 9.175883333 HMDB0037189 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 36.7 0.0 M+NH4 C14H26O2 -1.637965952 11,12,13-TriHOME 331.2474024 9.565116667 LMFA02000165 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 36.7 0.0 M+H C18H34O5 -1.508753961 Unoprostone isopropyl ester 442.3521183 9.764683333 45687 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+NH4 C25H44O5 -1.371036042 12(S)-HpETE 319.2262732 9.8359 3845 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05965 36.7 0.0 M+H-H2O C20H32O4 -1.481314457 SM(d18:1/19:0) 783.5751688 9.9442 LMSP03010055 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids Unclassified Unclassified 36.7 0.0 M+K C42H85N2O6P -3.376741968 Methyl 7-oxo-11E-tetradecenoate 255.1951862 0.0372 LMFA07010489 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 36.6 0.0 M+H C15H26O3 -1.120840871 2,4-Dimethyl-5-vinylthiazole 157.0799311 0.607833333 HMDB0037285 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 36.6 0.0 M+NH4 C7H9NS 3.849954503 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone 355.0575155 0.635583333 47955 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+K C17H16O6 -1.046588931 5-Butyl-4-ethylthiazole 187.1259566 0.64945 HMDB0040066 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 36.6 0.0 M+NH4 C9H15NS -2.303015447 N-Acetyl-9-O-lactoylneuraminic acid 399.1615475 0.663316667 HMDB0000768 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.6 0.0 M+NH4 C14H23NO11 1.604258527 3-O-Methylrimiterol glucuronide 436.1561559 0.663316667 2337 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C19H27NO9 -3.984484518 Triflupromazine 335.1191951 0.67715 HMDB0014650 Organoheterocyclic compounds Benzothiazines Phenothiazines Unclassified Unclassified 36.6 0.0 M+H-H2O C18H19F3N2S 1.076621065 Borrerine 279.126388 0.7464 67388 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+K C16H20N2 2.420268004 1-Pentanesulfenothioic acid 159.02769610000001 0.84375 HMDB0031160 Organosulfur compounds Sulfenyl compounds Unclassified Unclassified Unclassified 36.6 0.0 M+Na, M+K C5H12S2 3.18283098 PC(0:0/4:0) 310.1397677 1.0006 40355 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 36.6 0.0 M+H-H2O C12H26NO7P -4.991149702 Mitomycin C hydroquinone 354.1766639 1.184816667 750 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C15H20N4O5 -1.580823386 8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene 296.1163403 1.199516667 69098 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C18H15N3 1.911788083 CAY10587 282.144847 1.5832 45468 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H-H2O, M+NH4 C18H16O2 -3.249759755 Pergolide 353.145169 1.649716667 1787 Organoheterocyclic compounds Quinolines and derivatives Indoloquinolines Unclassified C07425 36.6 0.0 M+K C19H26N2S 1.085473956 11,12,15-trihydroxy palmitic acid 327.2132441 1.700233333 35479 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.6 0.0 M+Na C16H32O5 -3.124940125 PC(0:0/8:0)[U] 401.2392158 1.834116667 40363 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C16H34NO7P -4.9551286 4-(1-piperazinyl)-1H-Indole (hydrochloride) 223.1075295 1.867833333 44966 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C12H14N3 -2.316940838 Turmeronol A 233.1532683 10.006 HMDB0037608 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.6 0.0 M+H C15H20O2 -1.456097366 Sulfadoxine suflate 391.0360026 10.24085 2544 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H C12H14N4O7S2 -4.267926722 3,3-Bis(4-hydroxyphenyl)pentane 239.1429437 10.39106667 70693 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H-H2O C17H20O2 -0.382290688 methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate 281.2108888 10.43841667 LMFA01070020 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified C04867 36.6 0.0 M+H C17H28O3 -0.82930675 (6E)-5-hydroxy-1,7-diphenylhept-6-en-3-one 298.1799046 10.47075 HMDB0133911 Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Unclassified Unclassified 36.6 0.0 M+NH4 C19H20O2 -0.895364078 MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 443.2568572 10.51926667 HMDB0011556 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.6 0.0 M+K C25H40O4 2.57073626 Avenestergenin B2 615.3635466 10.72515 HMDB0035266 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.6 0.0 M+Na C37H52O6 -3.483353006 Maslinic acid 473.3622832 10.75773333 LMPR0106180014 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 C16939 36.6 0.0 M+H C30H48O4 -0.536129255 5(S)-HETE 321.2414726 10.80675 45684 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C04805 36.6 0.0 M+H C20H32O3 -2.962677801 Panaxydol 261.1846427 11.10941667 36485 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 36.6 0.0 M+H C17H24O2 -1.013797883 Cerebronic acid 402.3937167 11.29863333 HMDB0039540 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C17873 36.6 0.0 M+NH4 C24H48O3 -1.181776974 Scarlet Red 398.1991734 11.81706667 73202 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C24H20N4O 4.305047531 11-keto-Octacosanoic acid 456.440557 12.02326667 LMFA01060204 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.6 0.0 M+NH4 C28H54O3 -1.286648045 13,14-dihydro-15-keto-tetranor Prostaglandin D2 321.1659726 12.21286667 45459 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C16H26O5 -4.265906302 N-Stearoyl GABA 370.3310427 12.2602 HMDB0062341 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.6 0.0 M+H C22H43NO3 -1.429508494 Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate 437.1929539 13.6675 70852 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C24H30O6 -1.220337263 13Z,16Z-docosadienoic acid 354.336203 13.84901667 HMDB0062219 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16533 36.6 0.0 M+NH4 C22H40O2 -1.347142733 Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate 437.1929604 14.78986667 70909 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C24H30O6 -1.204514237 16-Methylheptadecanoic acid 302.3049841 15.08503333 HMDB0031066 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C20356 36.6 0.0 M+NH4 C18H36O2 -1.307855724 2,4,6-Triethyl-1,3,5-oxadithiane 207.0874826 2.256333333 HMDB0038791 Organosulfur compounds Thioacetals Monothioacetals Unclassified Unclassified 36.6 0.0 M+H C9H18OS2 1.450793666 2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyloxy]ethoxy}-propionic acid 394.1637076 2.372016667 1357 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+K C18H29NO6 2.989541954 Pentadecanoic acid, 3-hydroxy-, (R)-; (-)-3-Hydroxypentadecanoic acid; D-3-Hydroxypentadecanoic acid 241.215959 2.4711 74679 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H-H2O C15H30O3 -0.958602966 Carbosulfan 419.1769071 2.748266667 72224 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+K C20H32N2O3S 1.013031525 5-Acetoxydihydrotheaespirane 255.195249 2.91515 94801 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 36.6 0.0 M+H C15H26O3 -0.873865383 Diminazene 264.1353969 3.354933333 72197 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H-H2O C14H15N7 -0.741045453 5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dione 285.1344523 3.69525 96287 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C15H13N3O2 -0.561048163 Annolobine 264.1010661 3.7463 67612 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H-H2O C17H15NO3 -2.984605351 Neoduleen 289.0492173 4.064383333 LMPK12070145 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.6 0.0 M+H-H2O C18H10O5 -1.038491823 UH-301 288.1735212 4.327383333 69163 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C16H24FNO 0.406987516 1,5-Naphthalene diisocyanate 228.0760667 4.393 73158 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C12H6N2O2 -3.267277108 Orizabin 384.200586 4.393 67773 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C19H26O7 -2.984107018 LysoPE(0:0/16:1(9Z)) 490.2321085 4.40975 HMDB0011474 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 36.6 0.0 M+K C21H42NO7P -2.080595105 HETEROPEUCENIN, METHYL ETHER 292.1542498 4.426716667 43762 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C16H18O4 -0.30946939 TEGASEROD 319.2226261 4.619866667 44186 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C16H23N5O -4.8469088 Monobutylphthalate 223.0964599 4.650983333 HMDB0013247 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.6 0.0 M+H C12H14O4 -0.114824816 Bisphenol A bis(2-hydroxyethyl)ether 339.1555847 4.7151 69983 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C19H24O4 -3.464140483 Mefenamic acid 259.1438249 4.856283333 HMDB0014922 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C02168 36.6 0.0 M+NH4 C15H15NO2 -1.15880933 16-Methyl-epi-nigakihemiacetal B 427.2076761 4.856283333 HMDB0039886 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.6 0.0 M+Na C23H32O6 -3.545994644 Dichotosinin 496.2171858 4.966716667 LMPK12020273 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.6 0.0 M+NH4 C24H30O10 -1.122708884 methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate 249.0763425 5.1774 LMFA01070035 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.6 0.0 M+H C13H12O5 2.388615013 14-oxo-DoHE(1-) 325.2156827 5.207283333 HMDB0062685 Unclassified Unclassified Unclassified 1 Unclassified 36.6 0.0 M+H-H2O C22H30O3 -1.530678652 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone 5-O-rhamnoside 575.1507904 5.288616667 LMPK12140634 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+K C26H32O12 -3.252787595 Chaetoglobosin N 525.2758623 5.3049 HMDB0031919 Alkaloids and derivatives Cytochalasans Chaetoglobosins Unclassified Unclassified 36.6 0.0 M+H-H2O C33H38N2O5 1.988279673 5-Hexyl-2-furanhexanoic acid 284.2219553 5.521966667 HMDB0112088 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 36.6 0.0 M+NH4 C16H26O3 -0.243979701 Promucosine 373.1757939 5.569416667 90726 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 36.6 0.0 M+NH4 C20H21NO5 -0.012343693 avobenzone 333.1474572 5.84335 3932 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C20H22O3 4.32663462 OHOHA-PS 646.3368209 5.961266667 LMGP20040027 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.6 0.0 M+H-H2O C31H54NO12P 2.632634039 Myricanene A 5-[arabinosyl-(1->6)-glucoside] 635.2707608 5.978083333 93932 Phenylpropanoids and polyketides Diarylheptanoids Cyclic diarylheptanoids Unclassified Unclassified 36.6 0.0 M+H C32H42O13 1.486655072 1-Benzyl-1,2,3,4-tetrahydroisoquinoline 241.169758 6.18665 HMDB0004087 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Unclassified C05201 36.6 0.0 M+NH4 C16H17N -0.749000872 Carnosol 331.1901815 6.202516667 HMDB0002121 Lipids and lipid-like molecules Prenol lipids Terpene lactones Unclassified C09069 36.6 0.0 M+H C20H26O4 -0.618616005 5alpha-pregnane-3,20-dione 339.2275327 6.2338 LMST02030170 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 2 C03681 36.6 0.0 M+H, M+Na, M+H-H2O C21H32O2 -0.96087242 Barringtogenol C 491.3727687 6.3162 HMDB0034525 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 C08931 36.6 0.0 M+H C30H50O5 -0.677860841 (3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1->4)-[glucosyl-(1->6)]-glucoside] 959.519259 6.399633333 90644 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 36.6 0.0 M+H-H2O C48H80O20 -1.789735462 1-(2-methoxy-13-methyl-pentadecanyl)-sn-glycero-3-phosphoethanolamine 452.3112868 6.49935 LMGP02060015 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 36.6 0.0 M+H-H2O C22H48NO7P -4.825095422 PS(12:0/15:1(9Z)) 702.3729917 6.49935 LMGP03010048 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.6 0.0 M+K C33H62NO10P -1.959835513 N(1)-acetylsperminium(3+) 286.2118555 6.53305 HMDB0062644 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 36.6 0.0 M+K C12H31N4O+3 -4.405487727 6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone 273.1596821 6.64695 70402 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C16H17NO2 -0.283152983 Theasapogenol E 505.3517056 6.663433333 89989 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.6 0.0 M+H C30H48O6 -1.308792008 Methylprednisolone succinate 513.1862758 6.7273 1235 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+K C26H34O8 -4.745225043 Blumealactone B 365.1950215 6.788383333 HMDB0036666 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.6 0.0 M+H C20H28O6 -2.316160446 talinolol 364.2588022 6.832883333 96207 Benzenoids Benzene and substituted derivatives N-phenylureas Unclassified Unclassified 36.6 0.0 M+H C20H33N3O3 -1.833891088 Gambierol 779.433169 6.878166667 73489 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+Na C43H64O11 -1.208985592 Prostaglandin M 311.1485917 6.92295 LMFA03010194 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.6 0.0 M+H-H2O C16H24O7 -0.984824776 Bis(2-butoxyethyl)phthalate 384.2376487 6.92295 70907 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C20H30O6 -1.134705074 2,4-Dimethyl-5-pentylthiazole 184.1151512 6.987866667 94624 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 36.6 0.0 M+H C10H17NS -1.615124027 Bassic acid 487.3414932 7.070766667 LMPR0106150025 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 36.6 0.0 M+H C30H46O5 -0.632901815 Phytocassane E 317.2107017 7.435933333 87930 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 36.6 0.0 M+H-H2O, M+H C20H28O3 -1.207304226 Genistein 7-O-glucoside-6''-malonate 519.1127936 7.618366667 47685 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Unclassified C16192 36.6 0.0 M+H C24H22O13 -1.010532033 Propapyriogenin A2 485.3256312 7.767266667 67316 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H C30H44O5 -1.073095133 15-keto-PGF2alpha 375.2155749 7.811833333 LMFA03010026 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05960 36.6 0.0 M+Na C20H32O5 3.918151545 TXB2 393.2259428 7.891566667 422 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05963 36.6 0.0 M+Na C20H34O6 3.196121054 20-F4-NeuroP 379.2471297 8.233266667 LMFA04010001 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 36.6 0.0 M+H C22H34O5 -2.03818303 dibucaine 382.1897061 8.314966667 3979 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified C07879 36.6 0.0 M+K C20H29N3O2 1.663265118 Oxyhumulinic acid 283.1537397 8.364 93596 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.6 0.0 M+H C15H22O5 -0.923374771 LysoPA(19:0/0:0) 453.2986232 8.398016667 HMDB0114746 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 36.6 0.0 M+H C22H45O7P 2.335643391 1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone 263.1637871 8.6408 64194 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H-H2O C16H24O4 -1.37040121 Teleocidin B-1 469.3515691 8.704616667 66297 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4, M+K C28H41N3O2 -4.728455562 (25R)-11alpha,20,26-trihydroxyecdysone 551.2636861 8.719533333 57623 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.6 0.0 M+K C27H44O9 3.894369299 PA(12:0/14:1(9Z)) 545.3611372 8.891216667 81210 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 36.6 0.0 M+H-H2O C29H55O8P 1.724977015 Lysyl-Gamma-glutamate 257.161576 8.975683333 HMDB0028965 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.6 0.0 M+H-H2O C11H22N4O4 2.768560837 20-Hydroxy-leukotriene B4 375.2150378 9.004233333 HMDB0001509 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C04853 36.6 0.0 M+Na C20H32O5 2.393439946 Lucidenic acid L 492.2950386 9.033366667 HMDB0035975 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.6 0.0 M+NH4 C27H38O7 -1.139590562 Calcimycin 541.3014187 9.25525 68980 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C29H37N3O6 -1.228351518 Cryptomeridiol 241.2159212 9.301716667 71855 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H C15H28O2 -1.188102366 Prostaglandin D1 Alcohol 358.2945687 9.3831 45415 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+NH4 C20H36O4 -1.811677995 benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate 586.3577099 9.3831 4034 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H-H2O C30H53NO11 -1.430992952 9,13-dihydroxy-11-octadecenoic acid 315.2525275 9.581783333 35503 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H C18H34O4 -1.458944255 Isobornyl 2-methylbutyrate 239.2002633 9.598433333 HMDB0032343 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.6 0.0 M+H C15H26O2 -1.231068672 ponasterone A 482.3467376 9.677 57640 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified C08835 36.6 0.0 M+NH4 C27H44O6 -1.889012564 3-Dehydro-2-deoxyecdysone 447.309835 9.692366667 64609 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+H C27H42O5 -1.491977039 Ursolic acid 439.3566139 9.911833333 HMDB0002395 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 C08988 36.6 0.0 M+H-H2O C30H48O3 -0.971169749 MG(0:0/12:0/0:0) 257.2107562 0.00225 HMDB0072869 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.5 0.0 M+H-H2O C15H30O4 -1.331157774 3-Methylcyclohexanethiol 148.1160781 0.607833333 87746 Organosulfur compounds Thiols Alkylthiols Unclassified Unclassified 36.5 0.0 M+NH4 C7H14S 4.851587326 (2-methyl-3-oxo-1-phenylpropoxy)sulfonic acid 245.0481905 0.635583333 HMDB0133640 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 36.5 0.0 M+H C10H12O5S 1.514646206 4,5-Dimethyl-2-octylthiazole 264.1186061 0.690983333 HMDB0040093 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 36.5 0.0 M+K C13H23NS 1.453601337 Ethyl propyl disulfide 137.0457929 0.829533333 HMDB0033053 Organosulfur compounds Organic disulfides Dialkyldisulfides Unclassified Unclassified 36.5 0.0 M+H C5H12S2 3.484940681 Lactitol 327.1294056 1.0006 44766 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.5 0.0 M+H-H2O C12H24O11 2.41858464 7-Methylthioheptanaldoxime 176.1109308 1.140533333 64517 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H C8H17NOS 3.25053197 Robinobiose 327.1294808 1.46935 66862 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H C12H22O10 2.782468032 FLUTRIMAZOLE 329.1245742 1.632833333 44373 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C22H16F2N2 -0.845120012 7-Mercaptoheptanoic acid 145.0688642 1.733633333 71250 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C7H14O2S 4.330026431 2-cis,6-cis-farnesyl diphosphate 365.1273795 1.767216667 53356 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 36.5 0.0 M+H-H2O C15H28O7P2 -0.938890522 Trimethylsilyl n-pentadecanoic acid 353.2268541 10.22548333 HMDB0094681 Organometallic compounds Organometalloid compounds Organosilicon compounds Unclassified Unclassified 36.5 0.0 M+K C18H38O2Si -1.307636369 Ganoderic acid beta 501.3203052 10.27175 89101 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.5 0.0 M+H C30H44O6 -1.519848518 6-beta-hydroxymedroxyprogesterone 361.2368132 10.31675 HMDB0061063 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 1 Unclassified 36.5 0.0 M+H C22H32O4 -1.451087019 2,4,6-Heptatrienoic acid, 5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)- 257.1532203 10.47075 2289 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C17H22O3 -1.408018687 Pinusolide 329.2119834 10.6612 HMDB0035130 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.5 0.0 M+H-H2O C21H30O4 2.490271791 ent-17-Hydroxy-16beta-kauran-19-al 305.2471499 10.72515 91751 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 36.5 0.0 M+H C20H32O2 -1.172786443 8-epi-15-J2t-IsoP 335.2193885 10.74158333 75178 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05957 36.5 0.0 M+H-H2O, M+H C20H30O4 -1.174302034 19-Hydroxydeoxycorticosterone 347.2209864 11.0503 HMDB0012612 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 36.5 0.0 M+H C21H30O4 -2.020433513 Calycanthidine 343.2293042 11.08093333 HMDB0030281 Organoheterocyclic compounds Indoles and derivatives Pyrroloindoles Unclassified C09097 36.5 0.0 M+H-H2O C23H28N4 3.318697838 Crithmumdiol 263.2000688 11.10941667 HMDB0033957 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 36.5 0.0 M+H C17H26O2 -1.86021106 PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 889.486381 11.10941667 LMGP06010159 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 36.5 0.0 M+H, M+Na C46H75O13P 2.919153325 (ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate) 431.2786891 11.1524 HMDB0040993 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.5 0.0 M+H-H2O C26H40O6 -1.141296412 Linezolid 355.1772119 11.80243333 HMDB0014739 Organoheterocyclic compounds Oxazinanes Morpholines Unclassified C08146 36.5 0.0 M+NH4 C16H20FN3O4 -1.180530976 N-nonadecanoyl taurine 428.2825117 11.80243333 LMFA08020248 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 36.5 0.0 M+Na C21H43NO4S 4.96214548 Cholest-5-ene 388.3932273 11.89531667 57681 Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids 1 C05416 36.5 0.0 M+NH4 C27H46 -1.484215823 Alverine 299.2490297 12.02326667 HMDB0015554 Benzenoids Benzene and substituted derivatives Phenylpropylamines Unclassified Unclassified 36.5 0.0 M+NH4 C20H27N 3.037820666 Isopropyl tetradecanoate 253.2522767 12.54203333 HMDB0040392 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.5 0.0 M+H-H2O C17H34O2 -1.166858098 7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE 281.0807834 15.42465 44473 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C17H14O5 -0.173960678 (9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid 367.189577 2.6036 95091 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 36.5 0.0 M+K C18H32O5 4.401793939 Lucidenic acid K 455.2434205 4.359933333 HMDB0035890 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.5 2.03 M+H-H2O C27H36O7 1.281558829 Oleic Acid-biotin 561.3241837 4.376416667 45287 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+K C28H50N4O3S 1.269483534 PtdIns-(1-arachidonoyl-d8, 2-arachidonoyl) 340.1967958 4.426716667 96542 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C14H22D3NO5S -3.736806479 Hasubanonine 396.1767882 4.50795 67717 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+Na C21H27NO5 -3.632164922 N-Arachidonoyl-L-Serine 430.2345322 4.540083333 44904 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+K C23H37NO4 -2.260721684 4-Deoxyphysalolactone 505.2325565 4.540083333 HMDB0034346 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 36.5 27.4 M+H-H2O, M+H, M+NH4 C28H39ClO7 -4.952878514 Acetylblasticidin S 447.2084863 4.635566667 65842 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C19H28N8O6 -3.029016403 Pseudoargiopinin III 391.2436967 4.731233333 73538 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C19H27N5O3 -4.069022412 Taurochenodeoxycholate-3-sulfate 580.2612309 4.731233333 LMST05040020 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.5 0.0 M+H C26H45NO9S2 0.656715253 LysoPE(0:0/22:2(13Z,16Z)) 572.3113906 4.779683333 62280 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 36.5 0.0 M+K C27H52NO7P 0.174193394 5-Hydroxysulfapyridine 248.0488129 4.871 2553 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C11H11N3O3S -0.041828646 3,4-Dihydroxy-tamoxifen 421.2476783 4.885333333 HMDB0061087 Phenylpropanoids and polyketides Stilbenes Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C26H29NO3 -2.209814434 Norselic acid A 491.2561107 4.885333333 LMST01040189 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.5 3.84 M+K C29H40O4 0.647504602 Pisumoside B 693.3318786 4.999783333 92095 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.5 0.0 M+H C32H52O16 -1.348281517 Albanin B 454.1859584 5.063266667 HMDB0034143 Phenylpropanoids and polyketides Flavonoids Flavones Unclassified Unclassified 36.5 0.0 M+NH4 C25H24O7 -0.161119081 N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine 273.0903202 5.161166667 HMDB0040557 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.5 0.0 M+H-H2O C11H18N2O5S -0.118088502 Marshdine 317.1131868 5.2563 95569 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 36.5 0.0 M+NH4 C16H13NO5 -0.037759741 3-Oxotetradecanoic acid glycerides 356.2175906 5.2563 94395 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+Na C17H33O6- 1.968940869 Deoxyadenosine triphosphate 473.9956449 5.2563 HMDB0001532 Nucleosides, nucleotides, and analogues Purine nucleotides Purine deoxyribonucleotides 2 C00131 36.5 0.0 M+H-H2O C10H16N5O12P3 -3.865000674 3'-O-methylbatatasin III 276.1591453 5.3049 53267 Phenylpropanoids and polyketides Stilbenes Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C16H18O3 -1.064096936 YC-1 322.1551861 5.3049 64877 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C19H16N2O2 0.601227448 6'-Hydroxyhydrodolasetron; MDL 73492 325.1548848 5.3798 2364 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C19H22N2O4 0.630925709 PS(15:1(9Z)/0:0) 520.2077477 5.3798 LMGP03050015 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.5 0.0 M+K C21H40NO9P 1.082849787 MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0) 429.295678 5.4597 HMDB0011584 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.5 0.0 M+Na C25H42O4 -4.559359777 Rimocidine 806.3726216 5.6028 71103 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+K C39H61NO14 0.336002153 Dendrobine 264.1956285 5.76095 68030 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H C16H25NO2 -0.67234252 mLPA(O-16:0) 411.2850833 5.76095 LMGP00000064 Lipids and lipid-like molecules Glycerophospholipids Other Glycerophospholipids Unclassified Unclassified 36.5 0.0 M+H C20H43O6P -4.67690089 PS(18:2(9Z,12Z)/0:0) 522.284302 5.776783333 78838 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.5 0.0 M+H C24H44NO9P 3.178681795 N-(2E,5Z-dodecadienoyl)-homoserine lactone 280.1905615 5.944716667 LMFA08030022 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 36.5 0.0 M+H C16H25NO3 -0.568005866 3,4-Diphenyltetrahydrofuran 242.1536496 6.011633333 69934 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C16H16O -1.298873862 Delphinidin 3-lathyroside 579.1340807 6.011633333 47028 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C26H28O16 -0.613745121 Lepidine E 364.1781108 6.044966667 88987 Benzenoids Benzene and substituted derivatives Diphenylethers Unclassified Unclassified 36.5 0.0 M+NH4 C20H18N4O2 3.782957054 AMC Arachidonoyl Amide 484.2802317 6.061516667 45116 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+Na C30H39NO3 -4.299038054 Myricanol 5-laminaribioside 665.2808694 6.061516667 91623 Lipids and lipid-like molecules Prenol lipids Triterpenoids Unclassified Unclassified 36.5 0.0 M+H-H2O C33H46O15 0.713632091 Arctiin 573.1710867 6.107866667 71429 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+K C27H34O11 -4.086862068 N-tert-Butyloxycarbonyl-deacetyl-leupeptin 502.3729947 6.123116667 69125 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C23H44N6O5 3.820863699 Bilastine 486.2709209 6.2338 HMDB0240232 Organoheterocyclic compounds Benzimidazoles Unclassified Unclassified Unclassified 36.5 0.0 M+Na C28H37N3O3 -3.867787944 shidasterone 463.3047747 6.249683333 LMST01010193 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.5 0.0 M+H C27H42O6 -1.386105833 PC(O-12:0/O-1:0)[U] 422.3009301 6.34955 40187 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C21H46NO6P -4.681198345 Dihydroxyfumitremorgin C 412.1862755 7.054383333 HMDB0038581 Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Unclassified Unclassified 36.5 0.0 M+H C22H25N3O5 -1.025940592 PG(16:0/0:0)[U] 467.2749623 7.070766667 40874 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C22H45O9P -3.859479625 Halfordinol 239.0806217 7.087216667 68416 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 1.17 M+H C14H10N2O2 -3.705953051 CPA(16:0) 410.2680895 7.695566667 LMGP00000057 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 36.5 0.0 M+NH4 C19H37O6P 3.79487196 Canthiumine 535.2718279 7.738483333 68079 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C33H36N4O4 2.64455942 Geranyl-hydroxybenzoate 292.1905924 7.924783333 64005 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C17H22O3 -0.465920968 3a,16b-Dihydroxyandrostenone 322.237418 7.9907 LMST02020091 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 36.5 0.0 M+NH4 C19H28O3 -0.829441347 Lauroyl peroxide 437.3035254 8.006833333 73134 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+K C24H46O4 1.901312168 2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone 289.1794226 8.053966667 HMDB0060353 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 2 C17561 36.5 0.0 M+H C18H24O3 -1.382859453 PC(O-14:0/O-1:0)[S] 450.332159 8.15215 40195 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H-H2O C23H50NO6P -4.552744694 Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha,6alpha-epoxypregnane-3,20-dione 494.3105199 8.184433333 70487 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+NH4 C27H40O7 -1.489082345 22-iso-ecdysone 482.3471292 8.216633333 103333 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.5 0.0 M+NH4 C27H44O6 -1.045547819 Barogenin 431.3152809 8.282466667 HMDB0034403 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.5 0.0 M+H C27H42O4 -0.709633966 Trihydroxycoprostanoic acid 487.3399747 8.44615 HMDB0002163 Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids 1 Unclassified 36.5 0.0 M+Na C28H48O5 1.247768806 27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol 461.3251961 8.4611 HMDB0002126 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.5 0.0 M+Na C26H46O5 3.309961967 Xylene 319.2414625 8.535433333 87697 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H C24H30 -1.774975702 Ganoderol A 439.356361 8.608466667 HMDB0035728 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.5 0.0 M+H C30H46O2 -1.588022349 3b,17a,21-Trihydroxypregnenone 349.2368252 8.624666667 5371 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+H C21H32O4 -1.466758998 17-F4-NeuroP 401.2310366 8.733933333 LMFA04010002 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 36.5 0.0 M+Na C22H34O5 3.150657254 Queretaroic acid 473.3620745 8.91945 89994 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.5 0.0 M+H-H2O, M+H C30H48O4 -1.684599464 9,12,13-TriHOME(10) 353.2303723 8.961616667 74522 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 36.5 0.0 M+Na C18H34O5 1.597034235 Schidigeragenin C 413.304516 9.04885 HMDB0036249 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.5 0.0 M+H-H2O C27H42O4 -1.174829542 Dehydrocarpaine I 515.3224732 9.175883333 HMDB0030271 Phenylpropanoids and polyketides Macrolides and analogues Unclassified Unclassified Unclassified 36.5 0.0 M+K C28H48N2O4 -4.393603724 Polyporusterone A 461.3254544 9.532 93173 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.5 0.0 M+H-H2O C28H46O6 -1.456223611 MG(a-21:0/0:0/0:0)[rac] 439.3194866 9.548733333 HMDB0072855 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.5 0.0 M+K C24H48O4 2.668938548 Angustifoline 257.1619763 9.750433333 68549 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+Na C14H22N2O -1.954617452 PKHdiA-PA 547.2669926 9.793166667 LMGP20070012 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.5 0.0 M+H-H2O C26H45O11P 0.58822647 Demethoxyshogaol 247.1688565 9.807416667 95668 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Unclassified Unclassified 36.5 0.0 M+H C16H22O2 -1.624493897 Lucidumol A 473.3618271 9.960066667 HMDB0033233 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.5 0.0 M+H C30H48O4 -1.501641015 3,4-Dimethyl-5-propyl-2-furanheptanoic acid 267.1951299 0.00225 HMDB0112089 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 36.4 0.0 M+H C16H26O3 -1.281915096 p-[N-Propyl-N-(2-hydroxypropyl)sulfamoyl]benzoic acid 324.0886193 0.607833333 2089 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C13H19NO5S 3.337445814 L-Cystine 241.0309241 0.663316667 17 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00491 36.4 0.0 M+H C6H12N2O4S2 -0.83843715 Fortimicin AO 336.1772041 0.663316667 71968 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H-H2O C13H27N3O8 1.918188502 Dibenzo[b,e]thiepin, 1-propanamine deriv 320.1085052 0.7464 2431 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C18H19NOS 1.848850112 Isoniazid alpha-ketoglutaric acid 283.1033826 0.76025 71269 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C16625 36.4 0.0 M+NH4 C11H11N3O5 -1.182379242 N-Acetyl-6-O-L-fucosyl-D-glucosamine 368.1555397 0.774083333 HMDB0002220 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.4 0.0 M+H C14H25NO10 1.136376908 Tranexamic Acid 158.1175053 0.7879 HMDB0014447 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C12535 36.4 9.59 M+H, M+Na C8H15NO2 -0.317138325 Pseudoconhydrine 166.1206259 0.7879 68171 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C8H17NO 2.732331715 Benzothiazole 158.0028203 0.9714 88833 Organoheterocyclic compounds Benzothiazoles Unclassified Unclassified Unclassified 36.4 0.0 M+Na C7H5NS -4.966531536 thio-Miltefosine 462.2553429 1.0006 45197 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+K C21H46NO3PS -3.347841946 8-Oxodeoxycoformycin 267.108639 1.112483333 65874 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C11H14N4O4 -0.534917382 (-)-Warfarin 291.1006186 1.199516667 45558 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H-H2O C19H16O4 -3.090385044 8-Methylthiooctanaldoxime 190.1266523 1.378866667 64518 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C9H19NOS 3.38741302 Sambubiose 330.1398124 1.4849 HMDB0029883 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.4 0.0 M+NH4 C11H20O10 1.089596423 R-3-(Methylthio)-1-hexanol 131.0896365 1.616233333 HMDB0040153 Organosulfur compounds Thioethers Dialkylthioethers Unclassified Unclassified 36.4 0.0 M+H-H2O C7H16OS 4.987678659 2-Aminobenzamide 154.0974326 1.733633333 HMDB0033947 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C17512 36.4 0.0 M+NH4 C7H8N2O -0.410534911 Cyanidin 3-(6''-acetyl-galactoside) 509.1547957 1.733633333 86114 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 36.4 0.0 M+NH4 C23H23O12+ 4.111090506 5-Butyl-2-furanoctanoic acid 249.1846066 10.006 HMDB0112097 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 36.4 0.0 M+H-H2O C16H26O3 -1.1266138 Falcarindione 239.1431516 10.14498333 89471 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.4 0.0 M+H-H2O C17H20O2 0.429362301 21-Benzoyl-Barringtogenol C 633.3562499 10.14498333 265089 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+K C37H54O6 1.770493458 1b,3a,7a-Trihydroxy-5b-cholanoic acid 409.2942575 10.19313333 5403 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.4 0.0 M+H C24H40O5 -1.453293034 13-F4-NeuroP 401.2309551 10.53591667 LMFA04010003 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 36.4 0.0 M+Na C22H34O5 2.935149196 PG(15:0/0:0) 488.3003696 10.6612 LMGP04050034 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 36.4 0.0 M+NH4 C21H43O9P 4.411396559 Didesmethylimipramine 253.1700048 10.75773333 802 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C17H20N2 0.316210488 24-Epibrassinolide 498.3782266 10.82331667 HMDB0041130 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 36.4 0.0 M+NH4 C28H48O6 -1.432669814 2-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)benzene-1,3,5-triol 261.1482722 11.09523333 HMDB0133088 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.4 0.0 M+H-H2O C16H22O4 -0.894112998 Carbestrol 257.153315 11.10941667 70241 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H-H2O C17H22O3 -1.062722806 R-4-benzyl-3-isobutyryl-5,5-dimethyloxazolidin-2-one 276.1591486 11.39205 65460 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C16H21NO3 -0.986125344 23S,25,26-Trihydroxyvitamin D3 433.3308303 11.72598333 HMDB0060134 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 36.4 0.0 M+H C27H44O4 -0.939072821 Behenoylglycine 415.3889045 11.87928333 HMDB0013219 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.4 0.0 M+NH4 C24H47NO3 -1.297140919 28-Methyl-27-nonacosenoic acid 468.4769507 12.96618333 HMDB0031951 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.4 0.0 M+NH4 C30H58O2 -1.234158673 LysoPE(0:0/22:0) 576.3407394 13.95415 62278 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 36.4 0.0 M+K C27H56NO7P -3.458413766 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin 267.0283778 2.0298 48421 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H-H2O C15H8O6 -1.485516654 8Z-heptadecenoic acid 269.2472439 2.142083333 34952 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C17H32O2 -0.979807675 (E,E)-N-4-Methoxystyrylcinnamide 262.1220922 2.1582 HMDB0030194 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 36.4 0.0 M+H-H2O C18H17NO2 -1.964663583 Intermedine 317.2067401 2.339433333 68251 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+NH4 C15H25NO5 -1.197915157 S-(3-Methyl-2-butenyl) 2-methylpropanethioate 190.1265714 2.356016667 87875 Organic acids and derivatives Thiocarboxylic acids and derivatives Thioesters Unclassified Unclassified 36.4 0.0 M+NH4 C9H16OS 3.252488126 Benthiavalicarb isopropyl 382.1604026 2.57025 72223 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C18H24FN3O3S 2.322640342 EPTC 190.126576 2.716533333 68824 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C9H19NOS 2.984036972 Cytotrienin A 671.3280132 4.262333333 44850 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C37H48N2O8 -3.507329063 2-O-Acetylarbutin 332.1346187 4.359933333 HMDB0040720 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.4 0.0 M+NH4 C14H18O8 1.991731385 5-O-Caffeoylshikimic acid 354.1184067 4.376416667 64172 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C10434 36.4 0.0 M+NH4 C16H16O8 0.189577529 VINCAMINE 377.1843754 4.491716667 44262 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C21H26N2O3 2.292564069 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone 411.216036 4.540083333 52325 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H, M+NH4 C25H30O5 -1.376208501 Carapanaubine 451.1824524 4.540083333 67432 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C23H28N2O6 -3.514639342 Thiothixene 466.1611216 4.619866667 43349 Organoheterocyclic compounds Benzothiopyrans 1-benzothiopyrans Unclassified Unclassified 36.4 0.0 M+Na C23H29N3O2S2 4.020460096 Hydroxytetrabenazine 351.2271571 4.666383333 2803 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+NH4 C19H27NO4 -2.031090416 Arctiopicrin 368.2056211 4.666383333 67583 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+NH4 C19H26O6 -3.264126153 N-(4-aminobutyl)-3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enimidic acid 298.1760145 4.76395 HMDB0139615 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.4 0.0 M+NH4 C14H20N2O4 -0.421854534 {3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid 333.039163 4.825566667 HMDB0129951 Phenylpropanoids and polyketides Stilbenes Unclassified Unclassified Unclassified 36.4 0.0 M+Na C14H14O6S -3.76352053 PC(8:0/0:0) 401.2393076 4.871 40332 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 36.4 0.0 M+NH4 C16H34NO7P -4.715395175 (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside 437.2142987 4.9001 HMDB0033150 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.4 0.0 M+Na C21H34O8 -0.700169593 Fluorofelbamate 274.1185806 4.932916667 70814 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+NH4 C11H13FN2O4 -4.607871895 Dihydrocorynantheine 391.1984571 4.966716667 71456 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C22H28N2O3 -2.054046081 CDP-DG(12:0/12:0) 842.399678 4.966716667 LMGP13010001 Lipids and lipid-like molecules Glycerophospholipids CDP-Glycerols Unclassified Unclassified 36.4 0.0 M+H C36H65N3O15P2 3.9338339 Laurenobiolide 308.1857166 5.063266667 HMDB0036771 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 C09492 36.4 0.0 M+NH4 C17H22O4 0.282136274 Menthyl pyrrolidone carboxylate 336.2378185 5.079183333 HMDB0032368 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 C03962 36.4 0.0 M+NH4 C16H30O6 -0.772088251 N-Butylscopolamine 382.1971648 5.1277 2398 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C21H29NO4 -4.772503449 LysoPA(18:1(9Z)/0:0) 437.2646824 5.1774 HMDB0007855 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 36.4 0.0 M+H C21H41O7P -3.631530082 PC(O-14:0/O-1:0) 506.3003244 5.239483333 40194 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+K C23H50NO6P -0.874426616 LysoPA(i-19:0/0:0) 491.2518318 5.41175 HMDB0114766 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 36.4 0.0 M+K C22H45O7P -3.574441734 Balfourodine 307.1649826 5.4597 68462 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+NH4 C16H19NO4 -0.868241002 Cheirotoxol 732.3776534 5.4597 HMDB0030076 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 36.4 0.0 M+NH4 C35H54O15 -3.420063618 eucatropine 309.2165956 5.635316667 4021 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+NH4 C17H25NO3 -2.313316951 PI(22:4(7Z,10Z,13Z,16Z)/0:0) 671.3181971 5.635316667 81178 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 36.4 0.0 M+Na C31H53O12P 2.333185319 (S)-5-Oxo-2,5-dihydrofuran-2-acetate 125.0234682 5.66695 70200 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H-H2O C6H6O4 1.040337472 Corchorusoside A 681.3493133 5.682066667 HMDB0032823 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 36.4 0.0 M+H-H2O C35H54O14 1.782909474 TG(16:0/22:0/24:0) 1003.960455 5.894166667 HMDB0043973 Lipids and lipid-like molecules Glycerolipids Triradylcglycerols 1 Unclassified 36.4 0.0 M+H C65H126O6 -2.256134286 Tetradecyl Phosphonate 301.1910048 5.944716667 45066 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C14H31O3P 2.525623986 Cinnamyl anthranilate 271.1443726 5.978083333 HMDB0041319 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.4 0.0 M+NH4 C16H15NO2 1.059998662 11Z-Hexadecen-7,9-diynoic acid 247.16893 6.18665 LMFA01031108 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.4 0.0 M+H C16H22O2 -1.325827858 (5-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 466.0818681 6.202516667 HMDB0127404 Phenylpropanoids and polyketides Flavonoids Pyranoflavonoids Unclassified Unclassified 36.4 0.0 M+NH4 C20H16O10S 3.626437062 LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)) 542.3255399 6.29965 HMDB0010397 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 3 C04230 36.4 0.0 M+H C28H48NO7P 2.630611133 1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one 256.1691304 6.48265 96375 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H-H2O C17H23NO2 -1.685113796 Pioglitazone 339.1157647 6.987866667 HMDB0015264 Benzenoids Phenol ethers Unclassified Unclassified C07675 36.4 0.0 M+H-H2O C19H20N2O3S -1.152993169 Methymycin 492.2944475 7.103816667 41001 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides 2 C11996 36.4 0.0 M+Na C25H43NO7 2.714902065 1-Dehydro-[6]-gingerdione 273.1482527 7.186683333 64190 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H-H2O C17H22O4 -0.92457298 11alpha-hydroxyprogesterone 331.2264259 7.285966667 LMST02030184 Lipids and lipid-like molecules Sterol Lipids Steroids 2 C03747 36.4 0.0 M+H C21H30O3 -1.045782873 Thromboxanoic acid skeleton 341.2682816 7.535616667 45967 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C20H36O4 -1.04176536 Spirostane-3,6-dione 411.2886598 7.585266667 HMDB0036940 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.4 0.0 M+H-H2O C27H40O4 -1.661636029 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone 449.1733729 7.634533333 52258 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+K C25H30O5 2.171461021 2-Deoxybrassinolide 503.3147312 7.738483333 95564 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 36.4 0.0 M+K C28H48O5 3.011761673 2,3-Dihydroabscisic alcohol 253.1794795 7.957766667 HMDB0040685 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.4 0.0 M+H C15H24O3 -1.354498107 Steviobioside 643.3327073 8.03795 85008 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.4 0.0 M+H C32H50O13 0.45031904 Pyocyanin 193.0752756 8.103666667 64675 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H-H2O C13H10N2O -3.565906864 Peonidin 284.0676781 8.331033333 LMPK12010006 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Unclassified C08726 36.4 0.0 M+H-H2O C16H13O6+ -0.819740009 3-Polyprenyl-4,5-dihydroxybenzoate 273.1482599 8.34725 HMDB0060380 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C17554 36.4 0.0 M+H-H2O C17H22O4 -0.899740883 {2-hydroxy-5-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl}oxidanesulfonic acid 355.0477538 8.535433333 HMDB0127736 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Cinnamylphenols Unclassified Unclassified 36.4 0.0 M+H-H2O C15H16O9S -1.239194269 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronide 634.2883335 8.624666667 LMST05010006 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified C04806 36.4 0.0 M+H-H2O C32H45NO13 3.886463868 Rockogenin 433.3305699 8.719533333 HMDB0033769 Organoheterocyclic compounds Diazanaphthalenes Benzodiazines 1 Unclassified 36.4 0.0 M+H C27H44O4 -1.541495005 Heptanoyl thio-PC 632.4112516 8.733933333 44954 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+Na C31H64NO6PS 4.651115083 FTY720 (S)-Phosphate 405.2495661 8.8289 44927 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+NH4 C19H34NO5P -4.440123355 PE(22:2(13Z,16Z)/18:1(11Z)) 836.557056 9.793166667 HMDB0009553 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 2 C00350 36.4 0.0 M+K C45H84NO8P 0.554932762 Cicaprost 375.2157235 9.9442 64843 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+H C22H30O5 -2.343672833 Fortimicin KL1 370.2311052 0.635583333 71969 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C13H28N4O7 4.203508065 Penilloate 418.1556568 0.67715 1226 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H-H2O C19H25N5O5S 2.999288822 N,N'-diacetylchitobiose 425.1764699 0.7464 HMDB0062702 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01674 36.3 0.0 M+H C16H28N2O11 -0.274100292 Ethyl isopropyl disulfide 137.0458644 1.0006 HMDB0033054 Organosulfur compounds Organic disulfides Dialkyldisulfides Unclassified Unclassified 36.3 0.0 M+H C5H12S2 4.010772571 4-hydroxyhexanoylglycine 190.107368 1.0006 HMDB0094721 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.3 0.0 M+H C8H15NO4 -0.086692867 Imidapril 423.2228535 1.098383333 HMDB0041907 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.3 0.0 M+NH4 C20H27N3O6 -2.363351374 Hexahomomethionine 234.1527182 1.1264 64512 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C11H23NO2S 2.10915339 4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one 287.0694204 1.4849 93043 Benzenoids Naphthalenes Phenylnaphthalenes Unclassified Unclassified 36.3 0.0 M+H-H2O C19H12O4 -2.796147631 9a-Fluoroallotetrahydrocortisol 423.1960983 1.516783333 2717 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+K C21H33FO5 4.522931194 AM2201 N-(2-fluoropentyl) isomer 342.1658751 1.5667 96702 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H-H2O C24H22FNO 1.728475646 Bisdemethoxycurcumin 291.1007219 1.933416667 58097 Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Unclassified Unclassified 36.3 0.0 M+H-H2O C19H16O4 -2.754899817 6-Hydroxycyanidin 342.0142136 1.933416667 LMPK12010428 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+K C15H11O7+ 1.906684726 3-Oxo-5alpha-steroid 257.2260498 10.006 65868 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H-H2O C19H30O -1.19419424 14-F4-NeuroP 401.2295537 10.006 LMFA04010004 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 36.3 0.0 M+Na C22H34O5 -0.769775097 Albendazole-beta-hydroxysulphone 336.0624286 10.14498333 71270 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+Na C12H15N3O5S -0.107408105 Diphenoxylate 475.2364347 10.22548333 2327 Benzenoids Benzene and substituted derivatives Diphenylacetonitriles Unclassified C07872 36.3 0.0 M+Na C30H32N2O2 1.847986435 Glabrolide 469.3307724 10.70865 HMDB0034515 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.3 0.0 M+H C30H44O4 -0.990511832 Tanikolide 267.2314796 10.74158333 65441 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H-H2O C17H32O3 -1.326422584 N-(3-hydroxy-octadecanoyl)-homoserine lactone 406.293538 10.85656667 LMFA08030011 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 36.3 0.0 M+Na C22H41NO4 1.978982768 5-trans Latanoprost 415.2837189 10.90575 45709 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H-H2O C26H40O5 -1.312201391 (3alpha,20R,24Z)-3-Hydroxy-21-oxoeupha-8,24-dien-26-oic acid 471.3463441 10.96895 89081 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 36.3 0.0 M+H C30H46O4 -1.153056452 Polyporusterone C 494.347244 11.16815 HMDB0038497 Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids 1 Unclassified 36.3 0.0 M+NH4 C28H44O6 -0.778251656 Amprotropine 308.2222004 11.28201667 69199 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C18H29NO3 0.586389241 (25S)-3-oxo-cholest-1,4-dien-26-oic acid 427.3201982 11.3459 LMST04030213 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C28H42O3 -1.110583692 Girinimbine 281.1648953 12.0716 HMDB0030241 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 36.3 0.0 M+NH4 C18H17NO 0.211120577 Heptyl heptanoate 246.2424975 13.59376667 HMDB0034461 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.3 0.0 M+NH4 C14H28O2 -1.131412539 (+)-12-(2-Cyclopenten-1-yl)-2-dodecanone 251.2366672 13.83355 70928 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C17H30O -1.09805543 5beta-cholestan-3-one 369.3512458 2.125966667 57647 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05844 36.3 0.0 M+H-H2O C27H46O -0.859300621 Dolasetron 346.1427892 2.454333333 2347 Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Unclassified C07866 36.3 0.0 M+Na C20H21NO3 4.409504765 Compound IV 365.1820709 2.636816667 66418 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+Na C20H26N2O3 -4.361480956 AL 8810 403.2296059 2.636816667 45689 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C24H31FO4 4.20620875 N-(2-Hydroxyethyl)iminodiacetic acid 160.0603912 3.101233333 44781 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H-H2O C6H11NO5 -0.243021453 (E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene 277.1585301 3.338 HMDB0035443 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 36.3 0.0 M+H-H2O C20H22O2 -0.549389211 Monoethyl phthalate 195.0651783 3.91675 HMDB0002120 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.3 0.0 M+H C10H10O4 -0.035760153 (-)-1-Methylpropyl 1-propenyl disulfide 180.0879931 4.34365 HMDB0034426 Organosulfur compounds Organic disulfides Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C7H14S2 2.932025064 N-Benzoyl-4-methoxyanthranilate 289.1182329 4.4433 66138 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C15H13NO4 -0.186288458 Ansatrienin A 675.3051284 4.459283333 69304 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+K C36H48N2O8 1.420293292 4-Chrysenecarboxylate 273.0903655 4.5244 72127 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C19H12O2 -2.35425417 6-{4-[3-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-6-(4-hydroxy-3-methylbut-2-en-1-yl)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 707.2640904 4.55555 HMDB0129788 Phenylpropanoids and polyketides Flavonoids Flavones Unclassified Unclassified 36.3 0.0 M+Na C36H44O13 -4.854413701 Natamycin 683.335879 4.604216667 43273 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C08073 36.3 0.0 M+NH4 C33H47NO13 -4.038869123 (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid 287.0337699 4.871 70331 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+Na C13H12O4S -4.092727189 CAY10570 431.2145123 4.932916667 45209 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+Na C25H32N2OS 4.303980158 Aprindine 361.2035483 4.966716667 HMDB0015498 Benzenoids Indanes Unclassified Unclassified Unclassified 36.3 0.518 M+K C22H30N2 -1.578947342 24-methylene-cholesterol sulfate 501.3030739 4.966716667 LMST05020012 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified Unclassified 36.3 0.0 M+Na C28H46O4S 4.541513689 Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- 303.1701831 5.031616667 1514 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C17H22N2O3 -0.449647444 20-hydroxyecdysone 22-phosphate 578.3113965 5.111566667 LMST01010185 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.3 12.5 M+NH4 C27H45O10P 4.527611985 Avenanthramide A2 379.1508777 5.1774 86168 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.3 0.0 M+NH4 C18H19NO7 2.492756801 PKHdiA-PS 652.3115285 5.1774 LMGP20040012 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.3 0.0 M+H C29H50NO13P 3.492643992 Melicopine 331.1287567 5.3049 68528 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C17H15NO5 -0.292011756 Nifedipine 347.1237441 5.348566667 1535 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified C07266 36.3 0.0 M+H C17H18N2O6 -0.05391884 Oxatomide 449.2315019 5.364233333 HMDB0240225 Benzenoids Benzene and substituted derivatives Diphenylmethanes Unclassified Unclassified 36.3 0.0 M+Na C27H30N4O 0.749889676 DUARTIN, DIMETHYL ETHER 378.1914028 5.41175 43611 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C20H24O6 0.801759792 N1-Acetylspermine 283.1904292 5.427633333 HMDB0001186 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives 1 C02567 36.3 0.0 M+K C12H28N4O 3.929155156 Myricetin 3-(2'',3''-digalloylrhamnoside) 807.0821684 5.586183333 LMPK12112465 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.3 11.4 M+K C35H28O20 2.105122829 resorcinol sulfoxide 284.0585675 5.7291 4087 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C12H10O5S -0.573010184 Lyciumoside III 687.3378439 5.810533333 HMDB0039553 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.3 0.0 M+K C32H56O13 4.000742911 5b-Cholestane-3a,7a,12a,23S,25-pentol 475.3373792 6.154283333 LMST01010241 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.3 0.0 M+Na C27H48O5 -4.456900902 Methyl 3b-hydroxy-13(18)-oleanen-28-oate 535.3736274 6.1705 90575 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.3 0.0 M+Na C33H52O4 -4.202830736 Resiniferatoxin 611.2664044 6.202516667 67492 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H-H2O C37H40O9 3.915141975 Asparenyol 281.1171576 6.2338 HMDB0041304 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 36.3 0.0 M+H C18H16O3 -0.225501399 Gluconasturtiin 424.0733503 6.49935 66958 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C08417 36.3 0.0 M+H C15H21NO9S2 0.710485517 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid 347.2215532 6.549566667 HMDB0038031 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 36.3 0.0 M+H C21H30O4 -0.383159902 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid 273.1482645 6.566216667 67343 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C17H20O3 -0.942158223 Licoricesaponin B2 831.4107026 6.582466667 93392 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.3 0.0 M+Na C42H64O15 -3.759647791 PS(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 904.5120345 6.61485 HMDB0112837 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.3 0.0 M+Na C50H76NO10P 2.415775657 Nefopam N-oxide 287.1751875 6.64695 1483 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C17H19NO2 -0.805863171 (S)-Edulinine 292.1539628 6.75725 86773 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified Unclassified 36.3 0.0 M+H C16H21NO4 -1.276883917 2-Methyl-4-phenylbutyraldehyde 163.1116107 6.938916667 HMDB0032415 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 36.3 0.0 M+H C11H14O -0.807035911 PA(19:0/0:0) 453.2959996 7.186683333 LMGP10050034 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 36.3 0.0 M+H C22H45O7P -3.465176369 PG(16:0/0:0) 467.2750781 7.368583333 46733 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 36.3 0.0 M+H-H2O C22H45O9P -3.620447881 Meptazinol 272.1406004 7.3852 1137 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+K C15H23NO -2.238991707 Trichodermin 310.2016759 7.519116667 67916 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C17H24O4 1.338836176 3alpha,7alpha,11alpha-Trihydroxy-12-oxo-5beta-cholan-24-oic Acid 423.2736944 7.634533333 LMST04010415 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C24H38O6 -0.997009135 Gelsemine 345.1569863 7.650933333 67516 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+Na C20H22N2O2 -1.124751755 P-Nitrophenyl stearate 406.2941746 7.738483333 6707 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H C24H39NO4 -2.493459018 (1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid 505.3517797 7.7527 HMDB0035487 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.3 0.0 M+H C30H48O6 -1.161960142 Pleurostyline 426.215773 7.8755 68428 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+Na C25H29N3O2 1.426337961 Farnesyl Alcohol Azide 246.1959932 8.03795 45511 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+H-H2O C15H25N3O -1.827561285 20-Hydroxy-E4-neuroprostane 394.2580355 8.47655 HMDB0012638 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.3 0.0 M+NH4 C22H32O5 -2.030995299 23-nor-22-oxo-chol-5-en-3beta-ol 345.2784354 8.733933333 83904 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.3 0.0 M+H-H2O, M+H C23H36O2 -2.185717624 FTY720 Phosphate 405.2496802 9.004233333 45138 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C19H34NO5P -4.14528018 N-Desmethylmibefradil 504.2656653 9.301716667 1279 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+Na, M+K C28H36FN3O3 4.933483651 Isoeugenyl benzyl ether 255.1376562 9.548733333 HMDB0032349 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 36.3 0.0 M+H C17H18O2 -1.180737475 Ripazepam 286.1657376 9.750433333 73201 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+NH4 C15H16N4O -1.861236544 3a,6b,7b-Trihydroxy-5b-cholanoic acid 447.2504652 9.793166667 HMDB0000415 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C17726 36.3 0.0 M+K C24H40O5 -0.654626734 6,7-dihydro-12-epi-LTB4 361.2368477 9.8359 LMFA03020070 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 36.3 0.0 M+NH4, M+Na C20H34O4 -2.327908821 Pantetheine 317.0927966 0.663316667 63890 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00831 36.2 0.0 M+K C11H22N2O4S -1.400961527 3-cis-Hydroxyglipizide 462.1814617 0.690983333 3122 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified Unclassified 36.2 0.0 M+H C21H27N5O5S 1.941211369 cis-3-Hexenyl 2-aminobenzoate 237.1588429 1.0006 92518 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.2 0.0 M+NH4 C13H17NO2 -4.159262558 Marcanine A 240.065354 1.533116667 89516 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 36.2 0.0 M+H C14H9NO3 -0.692716795 LUPANYL ACID 270.2168073 1.533116667 44429 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+NH4 C14H24N2O2 -3.157560581 (S)-3-Mercaptohexyl butyrate 205.1263483 1.599716667 HMDB0037765 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.2 0.0 M+H C10H20O2S 3.287287205 Acetylcaranine 336.1219768 1.599716667 67034 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+Na C18H19NO4 4.304954244 3-iodo-hexadecanoic acid 365.1344299 1.599716667 35914 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.2 0.0 M+H-H2O C16H31IO2 2.197856054 2,6-Dimethoxybenzoic acid 200.0917445 1.666633333 86145 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.2 0.0 M+NH4 C9H10O4 0.055754499 5alpha-dihydrotesosterone 291.2312853 10.006 LMST02020042 Lipids and lipid-like molecules Sterol Lipids Steroids 2 C03917 36.2 0.0 M+H C19H30O2 -1.968745261 9,13-cis-Retinoic acid 301.2157202 10.006 HMDB0012874 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C00777 36.2 0.0 M+H C20H28O2 -1.620007003 (3beta,15alpha,22S,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid 469.3306744 10.09818333 HMDB0035295 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.2 0.0 M+H-H2O C30H46O5 -1.155450983 N-Acetylpuromycin 496.2277412 10.67678333 64567 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+H-H2O C24H31N7O6 -4.972971686 prolintane 256.1455282 11.13786667 96202 Benzenoids Benzene and substituted derivatives Phenethylamines Unclassified Unclassified 36.2 0.0 M+K C15H23N -3.129473631 Stoloniferone H 445.3307745 11.37685 LMST01031095 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.2 0.0 M+H C28H44O4 -1.03929603 3a,7a,12a-Trihydroxy-5b-cholestan-26-al 457.3308078 11.43813333 HMDB0003533 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 2 C01301 36.2 0.0 M+Na C27H46O4 4.552154043 Glucocerebrosides 752.5141337 11.81706667 85015 Unclassified Unclassified Unclassified 3 Unclassified 36.2 0.0 M+K C40H75NO9 9.519533377 PG(14:0/0:0)[U] 439.2460808 12.32238333 40873 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+H-H2O C20H41O9P 1.204395862 8-Dotriacontenoic acid 496.5081016 13.65276667 HMDB0029801 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.2 0.0 M+NH4 C32H62O2 -1.473809633 2,4,14-Eicosatrienoic acid isobutylamide 379.3681712 15.8356 HMDB0032032 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 36.2 0.0 M+NH4 C24H43NO -0.330197853 Tryptophyl-Glutamine 333.1554527 2.848133333 85974 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.2 0.0 M+H C16H20N4O4 -0.839498984 Methyl hippurate 194.0811842 2.96555 HMDB0000859 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.2 0.0 M+H C10H11NO3 0.075411552 1,2-O-Diacetylzephyranthine 396.139907 4.196733333 69341 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+Na C20H23NO6 -4.960792076 Minquartynoic acid 302.1764474 4.31095 LMFA01050459 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.2 3.27 M+NH4 C18H20O3 4.847355556 1-(2-Furanyl)-1-octanone 212.1645177 4.459283333 94943 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.2 0.0 M+NH4 C12H18O2 0.063769713 3,4,5-Trimethoxyphenyl acetate 227.09139 4.459283333 HMDB0031722 Benzenoids Phenol esters Unclassified Unclassified Unclassified 36.2 0.0 M+H C11H14O5 -0.044201588 Isohelenol 296.1485447 4.47545 67739 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+NH4 C15H18O5 -2.533228428 Methyl phenyl disulfide 174.0408785 4.871 HMDB0040939 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 36.2 0.0 M+NH4 C7H8S2 1.991951877 PKODA-PG 731.3538141 4.9001 LMGP20060002 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.2 17.9 M+K C34H61O12P 0.854962958 (1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide 367.1502032 4.916283333 HMDB0031889 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.2 0.0 M+Na C20H24O5 -4.042841793 12'-Apo-b-carotene-3,12'-diol 407.2347548 5.015383333 HMDB0036054 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 36.2 0.0 M+K C25H36O2 0.180233563 Hexafluronium 571.3449721 5.063266667 85446 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+K C38H48N2+2 0.121117381 MG(0:0/10:0/0:0) 247.1914483 5.192583333 HMDB0072874 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.2 0.0 M+H C13H26O4 4.316119132 N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide 307.2378879 5.223183333 HMDB0031183 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 36.2 0.0 M+NH4 C18H27NO2 -0.403800872 Oxocamphor 184.1332938 5.41175 72172 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+NH4 C10H14O2 0.533119461 6-hydroxy-1H-indole-3-carboxylic acid 178.0498505 5.474733333 HMDB0134932 Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Unclassified Unclassified 36.2 0.0 M+H C9H7NO3 -0.107511713 QUERCETIN TETRAMETHYL (5,7,3',4') ETHER 341.1018792 5.810533333 44016 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+H-H2O C19H18O7 -0.238680005 Lepidine C 378.1938396 5.810533333 88647 Benzenoids Benzene and substituted derivatives Diphenylethers Unclassified Unclassified 36.2 0.0 M+NH4 C21H20N4O2 3.85423423 N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid 375.191538 5.8605 HMDB0135470 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 36.2 0.0 M+NH4 C20H23NO5 0.251056481 PC(6:0/8:0)[U] 482.2859919 5.910883333 39968 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+H-H2O, M+H C22H44NO8P -4.375874978 PE(0:0/18:0) 520.2776877 5.961266667 LMGP02050038 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 36.2 0.0 M+K C23H48NO7P -4.799071048 6beta-Hydroxyestradiol-17beta 306.2060459 6.011633333 LMST02010031 Lipids and lipid-like molecules Sterol Lipids Steroids 2 C03935 36.2 0.0 M+NH4 C18H24O3 -1.125207384 Gibberellin A61 350.1961271 6.0775 90351 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 36.2 0.0 M+NH4 C19H24O5 -0.217643642 Myristic Acid Alkyne 242.2112511 6.218066667 35248 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+NH4 C14H24O2 -0.912119844 Trimeprazine 337.1125116 6.332866667 HMDB0015376 Organoheterocyclic compounds Benzothiazines Phenothiazines Unclassified C07172 36.2 0.0 M+K C18H22N2S -3.408454982 Neuromedin 1149.567287 6.6307 65362 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+NH4 C52H73N15O12S 4.487820006 Tafluprost 435.2354176 6.848 44903 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.2 0.0 M+H-H2O C25H34F2O5 2.819809706 Mivacurium 1049.53876 6.892733333 1326 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Unclassified C07550 36.2 0.0 M+Na, M+K C58H78N2O14 4.124343179 NSC 23766 422.3006977 7.087216667 45485 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+H, M+Na C24H35N7 -4.682995275 S-Decyl GSH 470.2282295 7.120433333 68974 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+Na C20H37N3O6S -2.902525421 Ergoline-8-methanol, 10-methoxy-6-methyl-, (8b)- 287.1751328 7.153633333 1518 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+H C17H22N2O2 -0.948944918 Citalopram-N-Oxide 379.123029 7.170083333 1784 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+K C20H21FN2O2 3.424081643 (S)-3-Hydroxytetradecanoyl-CoA 1032.267518 7.186683333 HMDB0003934 Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters 2 C05260 36.2 0.0 M+K C35H62N7O18P3S -4.157390099 Triptolide Analog 380.2431954 7.352033333 85120 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+NH4 C21H30O5 0.126576799 PS(MonoMe(11,3)/DiMe(9,3)) 864.4412551 7.435933333 HMDB0061600 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines 1 Unclassified 36.2 13.2 M+K C43H72NO12P -1.352409882 Caffeoylferuloylspermidine 484.2434824 7.634533333 HMDB0033470 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.2 0.0 M+H C26H33N3O6 -1.510200449 19-hydroxy-Resolvin E1 384.2375039 8.136066667 75045 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.2 0.0 M+NH4 C20H30O6 -1.529929621 Trioxilin A3 377.2313529 9.004233333 HMDB0001977 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14809 36.2 0.0 M+Na C20H34O5 4.257179558 (20R)-Ginsenoside Rh2 605.4405637 9.270916667 94103 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.2 0.0 M+H-H2O C36H62O8 -0.991224693 2-hydroxy-3-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl]propanoic acid 284.150122 9.548733333 HMDB0133195 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 36.2 0.0 M+NH4 C14H18O5 3.279660305 CAY10633 590.2743064 9.63115 64757 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+H C34H39NO8 -0.911672613 Geranyl benzoate 259.1689102 9.764683333 HMDB0033478 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.2 0.0 M+H C17H22O2 -1.340797193 (23S)-methylcholic acid 445.294139 9.960066667 LMST04070029 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 36.2 0.0 M+Na C25H42O5 4.011106935 3-Methyluric acid 200.0783792 0.00225 HMDB0001970 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 36.1 0.0 M+NH4 C6H6N4O3 3.09592535 Riluzole 217.0030346 0.2222 HMDB0014878 Organoheterocyclic compounds Benzothiazoles Unclassified Unclassified C07937 36.1 0.0 M+H-H2O C8H5F3N2OS -4.895596854 3-Oxo-3-ureidopropanoate 164.0667428 0.580133333 63408 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+NH4 C4H6N2O4 1.099571752 NORSTICTIC ACID 395.0387283 0.6217 43603 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+Na, M+K C18H12O9 3.697582725 2-Acetamido-6H-dibenzo[b,d]pyran-6-one 236.0698275 0.829533333 70210 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H-H2O C15H11NO3 -3.072234945 Methionyl-Leucine 245.1323331 1.1264 85879 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.1 0.0 M+H-H2O C11H22N2O3S 1.937062243 Phenylephrine 150.0913439 1.21445 699 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Unclassified C07441 36.1 0.0 M+H-H2O C9H13NO2 0.020913283 Desmethylondansetron 262.1345848 1.453516667 1647 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H-H2O C17H17N3O 2.546626665 Eletriptan 405.161456 1.54975 85344 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 36.1 0.0 M+Na C22H26N2O2S 1.926347545 bis(3-methylbut-2-en-1-yl)benzene-1,2,3,5-tetrol 301.1397978 1.767216667 HMDB0133047 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 36.1 0.0 M+Na C16H22O4 -4.429374981 Lipoxin E4 494.1978536 1.817116667 45972 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.1 0.0 M+K C23H37NO6S 1.178767196 p-Hydroxybenzyldesulphoglucosinolate 368.0760677 1.917 64527 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+Na C14H19NO7S -3.987160656 11-deoxy-PGF1b 341.2681851 10.06631667 LMFA03010070 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.1 0.0 M+H C20H36O4 -1.325354976 PA(P-16:0/17:2(9Z,12Z)) 681.4284157 10.36001667 82251 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 36.1 0.0 M+K C36H67O7P 4.383870128 4-DHEA enanthate 401.3047852 10.75773333 84950 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H C26H40O3 -0.590617162 Oryzarol 441.2774668 11.26565 HMDB0029458 Benzenoids Phenol esters Unclassified Unclassified Unclassified 36.1 0.0 M+K C26H42O3 2.270579869 Docosanoylcarnitine 484.4354865 13.1187 HMDB0062468 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.1 0.0 M+H C29H57NO4 -1.136113522 DG(15:0/0:0/15:0) (d5) 584.4725768 13.8185 4685 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+K C33H59D5O5 4.875909534 PE-Cer(d14:2(4E,6E)/18:0(2OH)) 685.4344022 14.76078333 LMSP03020067 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids Unclassified Unclassified 36.1 0.0 M+K C34H67N2O7P 4.106977834 Mycosporine 262.1281348 2.831133333 68424 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H C11H19NO6 -1.451387589 2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 243.0973217 3.69525 92217 Organoheterocyclic compounds Benzoxazines Benzoxazinones Unclassified Unclassified 36.1 0.0 M+NH4 C10H11NO5 -1.005594904 Yucalexin P21 343.2042256 4.196733333 91781 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 36.1 0.0 M+K C20H32O2 2.751977322 OON-PI 791.3773168 4.376416667 LMGP20050023 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.1 0.0 M+K C36H65O14P 3.941166964 Demethyl-desacetyl-rifamycin SV 624.2802974 4.47545 63738 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H-H2O C34H43NO11 -0.039839526 N-(Heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide 281.1852458 4.5244 88349 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 36.1 0.0 M+NH4 C15H21NO3 -2.74833585 Nalbuphine 380.1817043 4.604216667 1399 Benzenoids Phenanthrenes and derivatives Unclassified Unclassified C07251 36.1 0.0 M+Na C21H27NO4 -4.268492571 Ketorolac (tromethamine salt) 273.1232793 4.650983333 906 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+NH4 C15H13NO3 -0.350709696 N-Desmethylnefopam glucuronide 433.1966374 4.8098 1485 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+NH4 C22H25NO7 -0.699090236 Malformin 530.2456674 4.871 86262 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.1 0.0 M+H C23H39N5O5S2 -1.644656842 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate 639.3709984 5.144516667 94914 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.1 0.0 M+H C34H54O11 -4.528114379 Rosmarinate 343.0811086 5.272583333 3504 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C01850 36.1 0.0 M+H-H2O C18H16O8 -0.334927091 Lamivudine-monophosphate 332.0087736 5.41175 HMDB0060641 Nucleosides, nucleotides, and analogues Nucleoside and nucleotide analogues Unclassified Unclassified Unclassified 36.1 0.0 M+Na C8H12N3O6PS 3.592440214 S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloct-7-ynoyl)-5,5-dimethyloxazolidin-2-one 394.1971522 5.490783333 65465 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+Na C22H29NO4 -4.652042729 Bepridil 349.2645616 5.50615 HMDB0015374 Benzenoids Benzene and substituted derivatives Phenylmethylamines Unclassified C06847 36.1 0.0341 M+H-H2O C24H34N2O 2.009768659 Bifenazate 301.1547181 5.521966667 72390 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H C17H20N2O3 0.163899023 N1,N1-dimethyl-4-[[4-(dimethylamino)phenyl](4-nitrophenyl)methyl]aniline 376.2017666 5.537433333 96298 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H C23H25N3O2 -0.498029944 8-hydroxy-17-octadecene-9,11-diynoic acid 308.2217484 5.569416667 74652 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+NH4 C18H26O3 -0.936802581 alpha-Antiarin 567.2818765 5.793616667 67223 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H C29H42O11 3.333855781 11-hydroxy-4-methyl-2E,4E,6E-dodecatrienoic acid 242.1748692 5.978083333 LMFA01020413 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.1 0.0 M+NH4 C13H20O3 -0.895819298 3-hydroxydecanoyl carnitine 332.242855 6.0283 HMDB0061636 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.1 0.0 M+H C17H33NO5 -0.889391397 11,12,15S-trihydroxy-5Z,8Z,13E-eicosatrienoic acid 393.203539 6.061516667 36275 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14782 36.1 0.0 M+K C20H34O5 -0.686789781 (1S,4R)-10-Hydroxyfenchone glucoside 313.1634337 6.1705 HMDB0033226 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.1 0.0 M+H-H2O C16H26O7 -3.42615661 2-Hydroxy-3-methoxyestrone 464.3343866 6.399633333 HMDB0011195 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 Unclassified 36.1 0.0 M+Na C25H47NO5 -0.583836208 (4Z,9a)-9-(3-Methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one 334.2373678 6.416 HMDB0034630 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.1 0.0 M+NH4 C20H28O3 -0.95677546 3-hydroxyundecanoyl carnitine 328.2478679 6.465933333 HMDB0061637 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.1 0.0 M+H-H2O C18H35NO5 -1.063179341 1-NM-PP1 332.1882501 6.566216667 45538 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H C20H21N5 3.858730951 Licoricesaponin C2 789.4092963 6.566216667 HMDB0038759 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.1 0.0 M+H-H2O C42H62O15 4.604665408 LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z)) 545.3326121 6.803616667 HMDB0011495 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 3 Unclassified 36.1 0.0 M+NH4 C27H46NO7P -4.556860562 2,5-Dibenzyl-3-hydroxy-6-methoxypyrazine 595.2718727 6.818416667 95926 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 36.1 0.0 M+H-H2O C38H36N4O4 2.458534198 Pentazocine cis-alcohol 302.2111793 7.087216667 1753 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H C19H27NO2 -0.917044732 Glycopyrrolate 341.1954784 7.2034 HMDB0015121 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 36.1 0.0 M+Na C19H28NO3+ -2.077445137 10,11-dihydro-20-dihydroxy-LTB4 393.2258521 7.695566667 LMFA03020043 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 36.1 0.0 M+Na C20H34O6 2.951021079 Norerythrostachaldine 425.3002502 7.709683333 67135 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+NH4 C23H37NO5 -1.838047798 Ixocarpanolide 490.3156127 7.8755 89602 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 36.1 0.0 M+NH4 C28H40O6 -1.486039103 Simvastatin-6'-carboxylic acid 466.2790386 8.364 2452 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+NH4 C25H36O7 -1.986369432 Madasiatic acid 471.3469228 8.364 90456 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.1 0.0 M+H-H2O, M+H C30H48O5 0.07451414 5b-Cholestane-3a,7a,12a,24,25-pentol 475.3410988 8.578083333 HMDB0000556 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.1 0.0 M+Na C27H48O5 3.765903252 Triapenthenol 302.1622007 8.624666667 72876 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+K C15H25N3O -2.734762393 Sphingofungin C 414.2848191 8.6408 LMSP01080063 Lipids and lipid-like molecules Sphingolipids Sphingoid bases Unclassified Unclassified 36.1 0.0 M+H-H2O C22H41NO7 -0.452790369 MG(0:0/21:0/0:0) 439.3167005 8.6891 HMDB0072868 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 36.1 0.0 M+K C24H48O4 -4.290231197 (25S)-5alpha-cholestan-3beta,4beta,6alpha,7beta,8beta,15alpha,16beta,26-octol 483.3311137 8.975683333 83927 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H-H2O C27H48O8 -1.032496909 Bryotoxin A 601.2646399 9.2073 67227 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+H-H2O C32H42O12 0.48750966 5-HYDROXYIMINOISOCARYOPHYLLENE 272.1403984 9.3831 43739 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+K C15H23NO -3.105034243 10-hydroxy-16-oxo-hexadecanoic acid 304.2478245 9.3831 LMFA01170060 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.1 0.0 M+NH4 C16H30O4 -1.433988271 {[1-(3,4-dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propan-2-yl]oxy}sulfonic acid 355.0486456 9.807416667 HMDB0127737 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Cinnamylphenols Unclassified Unclassified 36.1 0.0 M+H-H2O C15H16O9S 1.157925993 (E)-13-Octadecenoic acid 265.2521558 0.00225 HMDB0062218 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.0 0.0 M+H-H2O C18H34O2 -1.545656421 Ibervirin 165.0508502 0.580133333 HMDB0034370 Organosulfur compounds Isothiocyanates Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C5H9NS2 -4.194034304 Fagaramide 265.1536283 0.580133333 68337 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C14H17NO3 -4.211251729 Musanolone E 287.0701112 0.635583333 95846 Benzenoids Naphthalenes Phenylnaphthalenes Unclassified Unclassified 36.0 0.0 M+H-H2O C19H12O4 -0.524403539 5beta-Pregnane-3alpha,17alpha,20alpha-triol 359.2558004 0.64945 70255 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 1 Unclassified 36.0 0.0 M+Na C21H36O3 0.400644149 DIAZINON 305.1088296 0.67715 44239 Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Unclassified C14324 36.0 0.0 M+H C12H21N2O3PS 1.653982257 Linusitamarin 388.1598716 0.7879 HMDB0040865 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.0 0.0 M+NH4 C17H22O9 -0.908429156 L-beta-aspartyl-L-threonine 217.0817756 0.80175 62018 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 36.0 0.0 M+H-H2O C8H14N2O6 -0.522582983 2,3-Dimercaptopropane-1-sulfonic acid 188.9705278 0.84375 68691 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+H C3H8O3S3 -1.62638852 Chlorophyll c 609.2108398 1.140533333 87444 Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins Unclassified Unclassified 36.0 0.0 M+H, M+Na C35H30N4O5-2 0.365500961 Furano[2'',3'':6,7]aurone 280.0960142 1.2294 LMPK12130001 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C17H10O3 -3.073650068 3-(2,4-dihydroxy-3,5-dimethoxyphenyl)propanoic acid 260.1128396 1.533116667 HMDB0135754 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C11H14O6 -0.099447797 PHHdiA-PI 767.3052105 1.649716667 LMGP20050011 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.0 0.0 M+K C32H57O16P 4.983990122 2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine 197.1285019 1.666633333 HMDB0040021 Organoheterocyclic compounds Pyrrolizines Unclassified Unclassified Unclassified 36.0 11.3 M+NH4 C10H13NO2 0.266315946 Mebendazole 313.1295818 1.666633333 HMDB0014781 Benzenoids Benzene and substituted derivatives Benzophenones Unclassified Unclassified 36.0 0.0 M+NH4 C16H13N3O3 0.220275729 16,17-Dihydro-16a,17-dihydroxygibberellin A4 17-glucoside 546.2519023 1.817116667 95125 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.0 0.0 M+NH4 C25H36O12 -4.921862295 Oblongine 297.1721607 10.56758333 95172 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Unclassified Unclassified 36.0 0.0 M+H-H2O C19H24NO3+ -0.539975667 4-OH-Retinal 301.2158008 11.10941667 HMDB0012788 Lipids and lipid-like molecules Prenol lipids Retinoids 1 Unclassified 36.0 0.0 M+H C20H28O2 -1.35161472 Deacetylnomilin 490.2449394 11.10941667 90947 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.0 0.0 M+NH4 C26H32O8 2.95599877 Strychnine 352.2026569 2.8985 3463 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C21H22N2O2 2.105073048 Kalkitoxin 405.2340708 3.422833333 65375 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+K C21H38N2OS 1.16823127 Furfuryl propyl disulfide 206.066717 3.473866667 88333 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C8H12OS2 -0.348464632 Streptothricin F 485.247734 4.113283333 73359 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+H-H2O C19H34N8O8 2.114721289 Akuammicine 305.1651921 4.262333333 67361 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+H-H2O C20H22N2O2 1.093817857 Albomaculine 368.1453467 4.459283333 67036 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+Na C19H23NO5 -4.336536832 Megastachine 354.2024472 4.55555 67987 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+Na C20H29NO3 -4.580871348 Anastrozole 294.1700444 4.650983333 555 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified C08159 36.0 0.0 M+H C17H19N5 -4.358069099 (S)-Corytuberine 350.1375727 4.779683333 64383 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+Na C19H21NO4 3.955123973 PC(6:0/0:0) 378.1664107 4.779683333 40328 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1 Unclassified 36.0 0.0 M+Na C14H30NO7P 3.381756852 Lamtidine 345.2381487 4.9001 69233 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+H C18H28N6O -4.611026136 Sodium lauryl sulfate 327.1008091 4.9501 58284 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+K C12H25NaO4S 1.827004506 Tryptophyl-Isoleucine 335.2073811 5.015383333 HMDB0029086 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 36.0 0.0 M+NH4 C17H23N3O3 -1.216994929 Caffeoylmalic acid 314.0883656 5.063266667 HMDB0029318 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.0 0.0 M+NH4 C13H12O8 4.467820431 Heliangin 380.2060748 5.239483333 67730 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.0 0.0 M+NH4 C20H26O6 -1.90313792 Bruceoside A 721.2078485 5.3049 67172 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+K C32H42O16 -3.803410329 18-Hydroxyyohimbine 371.1966119 5.3798 3045 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+H C21H26N2O4 0.211107882 1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester, N-oxide 343.1654179 5.553333333 2355 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+H C19H22N2O4 0.53849945 PC(15:0/0:0)[S] 520.2812961 5.553333333 40283 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+K C23H48NO7P 2.697784585 (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] 569.2746992 5.745083333 HMDB0040844 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.0 2.5 M+K C27H46O10 4.607630752 [2-(methoxymethyl)-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 421.0553403 5.76095 HMDB0127853 Phenylpropanoids and polyketides Flavonoids Flavans Unclassified Unclassified 36.0 0.0 M+Na C17H18O9S -2.596503844 SM(d18:1/20:0) 741.6274927 5.793616667 HMDB0012102 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids 2 C00550 36.0 0.0 M+H-H2O C43H87N2O6P 0.79851993 3-Dimethylallyl-4-hydroxybenzoate 224.1280116 5.894166667 64578 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.0 0.0 M+NH4 C12H14O3 -0.525351455 PA-PA 619.300124 6.011633333 LMGP20070014 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.0 0.0 M+K C28H53O10P -1.15207434 PS(O-16:0/18:2(9Z,12Z)) 784.4889812 6.011633333 78726 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.0 0.0 M+K C40H76NO9P 0.071728831 ketophenylbutazone 323.1393072 6.202516667 96176 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 36.0 0.0 M+H C19H18N2O3 0.89492479 Prostaglandin E1 Ethanolamide 415.3164014 6.202516667 45430 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C22H39NO5 -0.622885194 Cincassiol B 383.2047299 6.218066667 HMDB0036855 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 36.0 0.0 M+H-H2O, M+Na C20H32O8 -4.247362119 Ipecac (Emetine) 503.2859727 6.282966667 834 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+Na C29H40N2O4 -4.280203655 24-Oxo-1alpha,25-dihydroxyvitamin D3 431.3149612 6.34955 HMDB0060128 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 36.0 0.0 M+H C27H42O4 -1.452649839 [[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]-, (E)-Acetic acid 356.1066647 6.416 2950 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+Na C15H18F3NO4 -4.048755144 3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid 526.3721823 6.49935 84919 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 36.0 0.0 M+NH4 C29H48O7 -3.240201972 Erythromycin E 730.4336086 6.53305 LMPK04000011 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides Unclassified C06634 36.0 0.0 M+H-H2O C37H65NO14 -4.82836924 13Z-octadecene-9,11-diynoic acid 292.2267567 6.582466667 35211 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C18H26O2 -1.272417524 Armillyl everninate 434.2531 6.61485 91066 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.0 0.0 M+NH4 C24H32O6 -1.475828424 Hamayne 305.1491703 6.663433333 69334 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C16H17NO4 -1.439352842 Bisindolylmaleimide I 430.2251873 6.938916667 45523 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C25H24N4O2 3.4831474 2-Hydroxyestrone 304.1903631 7.0212 2579 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 2 C05298 36.0 0.0 M+NH4 C18H22O3 -1.247639573 4-Hydroxy-5,7,4'-trimethoxyflavan 317.1387319 7.2199 47389 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+H C18H20O5 1.207586979 16-Ketoestradiol 304.1903525 7.335566667 57809 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 C14383 36.0 0.0 M+NH4 C18H22O3 -1.284562601 ecdysone 25-O-D-glucopyranoside 609.3639077 7.335566667 LMST01010192 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.0 0.0 M+H-H2O C33H54O11 0.931423442 Progeldanamycin 476.3000361 7.452616667 71105 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+H C27H41NO6 -1.322011401 (3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol 483.3425355 7.634533333 89434 Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids 1 Unclassified 36.0 0.0 M+Na C29H48O4 -4.225448081 [6]-Dehydroshogaol 257.1529907 7.650933333 88982 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.0 0.0 M+H-H2O C17H22O3 -2.245552865 2-[[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]amino], Ethanesulfonic acid 597.286674 7.681166667 6672 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+NH4 C26H45NO9S2 -1.252531125 10-oxo-docosanoic acid 393.2782076 8.200533333 74777 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.0 0.0 M+K C22H42O3 4.669117365 (25R)-3beta-hydroxycholest-5-en-7-one-26-oate 431.3152681 8.795416667 HMDB0062613 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.0 0.0 M+H C27H42O4 -0.739334489 PE(18:1(11Z)/22:2(13Z,16Z)) 836.5535377 8.975683333 HMDB0009041 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 36.0 0.0 M+K C45H84NO8P -3.856158913 METABOLITES_END #END